data_6pqt_residue ############################ # Computer software used # ############################ 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 6pqt _Structure_validation_residue.Date_analyzed 2020-08-14 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 ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.305 0.098 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.4 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.522 0.201 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.612 0.244 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.452 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.459 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HZ2' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.708 0.289 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 111.297 0.11 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.546 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 17.0 mm100 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.596 0.236 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.494 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 . . . . . 0 C--O 1.23 0.071 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.486 0.184 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.452 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.475 0.178 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 29.4 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.577 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.577 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.701 0.286 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.579 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.579 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.505 ' NH1' HD13 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.505 HD13 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.406 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.692 0.282 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.53 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.487 0.184 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 14' ' ' ARG . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -78.27 -19.1 54.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.192 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.6 mtt -112.77 32.05 5.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt -153.73 84.24 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.895 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.01 -31.73 73.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.124 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.546 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.466 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.491 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.491 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.4 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.32 -19.87 63.6 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.407 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -117.51 55.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.303 0.573 . . . . 0.0 110.702 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -122.26 43.81 2.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.764 0.792 . . . . 0.0 108.905 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -91.65 82.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.896 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 m -127.97 92.43 42.14 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.646 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.94 74.09 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.066 2.51 . . . . 0.0 112.562 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 p -76.54 86.39 3.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.231 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -133.5 73.26 1.5 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.314 0.578 . . . . 0.0 110.812 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.4 tp -124.86 75.3 1.42 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.24 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.67 97.93 6.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.669 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 p -127.18 72.29 76.68 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.838 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -88.17 49.83 1.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.109 2.539 . . . . 0.0 110.885 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 m -107.59 99.93 31.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.166 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.34 -25.46 42.27 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.299 2.0 . . . . 0.0 111.956 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 t -93.35 72.74 4.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -154.07 134.73 13.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.297 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.71 86.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.597 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -136.92 73.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.261 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -158.02 150.4 22.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 58.49 1.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -164.34 116.27 1.31 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.745 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 2.3 mp0 -71.96 80.74 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 176.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.39 -41.79 19.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.415 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -28.2 67.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 6.8 p -94.54 -51.51 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.917 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt 67.32 -61.59 0.34 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.942 0.897 . . . . 0.0 111.596 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.1 -34.47 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.013 0.435 . . . . 0.0 110.703 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.2 -26.18 67.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.232 0.539 . . . . 0.0 110.236 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -77.71 -19.81 54.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.796 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.0 mt -92.38 -31.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 110.191 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.47 -33.91 76.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.408 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -127.17 9.31 6.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 110.115 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m 57.74 13.65 2.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.993 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.9 m 51.13 33.14 8.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 110.646 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.78 111.67 23.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.086 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.84 92.37 1.77 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.724 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.17 10.25 8.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.679 0.276 . . . . 0.0 111.527 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.88 -61.55 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 p -148.91 92.96 4.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -53.01 154.27 13.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.743 2.295 . . . . 0.0 111.941 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -74.64 93.33 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -120.9 86.59 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.123 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.3 5.62 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.25 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 p -137.16 61.18 1.63 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -133.77 116.09 13.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.24 89.57 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.618 2.212 . . . . 0.0 111.725 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.34 145.07 36.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.894 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m 55.85 38.98 30.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.296 0.57 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.13 18.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.031 0.919 . . . . 0.0 110.236 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -111.87 121.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.519 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 m 64.4 27.57 13.61 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.512 0.507 . . . . 0.0 110.502 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -169.42 151.98 4.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.82 -66.55 3.54 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.772 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.3 38.48 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 0.0 111.688 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.41 -63.84 1.21 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.722 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -145.84 36.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.441 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m 56.12 51.35 11.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.975 0.893 . . . . 0.0 109.547 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.431 -175.219 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.26 44.46 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.949 0.404 . . . . 0.0 110.884 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -65.65 -38.75 90.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -139.72 -5.48 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.632 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp 70.74 63.54 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.627 -176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.94 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.471 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.581 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.581 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 31' ' ' GLY . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.65 -18.97 0.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 29' ' ' ALA . . . -119.83 62.74 0.47 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.381 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -129.05 57.38 1.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.9 m 60.31 59.4 2.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.608 0.718 . . . . 0.0 110.021 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.73 88.18 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.384 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -108.16 101.66 42.74 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.027 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -53.61 124.05 14.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.461 2.108 . . . . 0.0 111.769 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 t 68.61 57.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.806 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.62 34.84 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.843 0.83 . . . . 0.0 109.544 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.32 65.92 0.88 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.313 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.3 77.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.33 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m 50.59 72.4 1.25 Allowed Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.817 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.5 47.1 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.031 2.487 . . . . 0.0 112.657 -176.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.3 m -111.73 99.44 44.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.239 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 81.03 2.05 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.72 2.28 . . . . 0.0 112.619 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -133.45 68.72 1.49 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 68.42 131.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.745 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 56.98 34.72 25.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.373 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -131.84 87.78 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.704 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 t 63.46 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.063 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.62 84.96 7.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.25 0.547 . . . . 0.0 110.058 176.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 24.1 tpt180 -154.71 69.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.451 0.643 . . . . 0.0 109.612 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 6.3 mm-40 -167.21 73.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.403 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.1 mt -72.79 -29.11 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.071 -172.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.93 -23.71 67.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.516 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 m -116.4 6.45 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.167 0.508 . . . . 0.0 110.342 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 20.8 tp -95.92 -31.69 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.953 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.44 -12.93 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 110.384 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.25 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.1 p -84.45 -12.58 54.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.448 . . . . 0.0 111.265 -177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.73 -19.66 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.417 0.627 . . . . 0.0 110.517 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.61 35.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.901 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 m 49.85 49.69 19.75 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.876 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 p -157.34 -55.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.307 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.4 m 55.16 72.45 0.48 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.253 0.346 . . . . 0.0 111.209 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.02 93.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.64 73.38 1.28 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -173.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.11 75.72 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.2 26.14 15.56 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.352 0.596 . . . . 0.0 110.18 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -169.71 124.26 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.704 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.33 148.81 62.16 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.03 1.82 . . . . 0.0 111.536 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -80.73 76.99 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.18 0.514 . . . . 0.0 109.667 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -124.17 73.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.61 -51.75 0.77 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 t 61.22 40.63 14.38 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.124 0.488 . . . . 0.0 110.996 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -170.26 129.86 0.87 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.592 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.58 125.03 17.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.39 2.06 . . . . 0.0 110.857 176.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.467 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.07 84.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.991 -175.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.4 m 56.6 51.96 10.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.314 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -109.32 76.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.309 0.576 . . . . 0.0 109.499 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.73 78.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.318 0.58 . . . . 0.0 110.188 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 p -86.78 -28.87 22.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.517 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 p -114.74 35.28 4.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.937 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.79 18.0 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.455 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -110.85 69.4 0.69 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.78 -48.37 7.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.687 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -129.74 36.73 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 m -95.05 -67.99 0.82 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.48 1.029 0 C-N-CA 124.079 0.951 . . . . 0.0 112.855 175.93 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 65.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.134 0.574 . . . . 0.0 111.504 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -96.3 -64.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.525 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -174.84 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.437 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 43.8 tpp -147.1 131.15 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 111.245 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -69.78 -21.41 63.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.175 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.452 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.459 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.445 ' HZ2' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 66.78 26.13 9.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.75 -38.57 6.49 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.044 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 43.28 33.87 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.413 1.085 . . . . 0.0 112.614 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.0 t -176.77 116.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.22 72.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.565 0.698 . . . . 0.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -145.51 79.72 11.24 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.288 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.88 133.6 34.31 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.927 2.418 . . . . 0.0 112.059 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 m -83.51 73.59 10.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.605 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -118.77 44.6 2.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 109.317 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.92 72.5 1.41 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.054 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.1 t -98.49 66.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.876 0.846 . . . . 0.0 109.44 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 74.32 4.8 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.556 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.541 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 5.1 Cg_endo -85.82 65.99 5.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.002 2.468 . . . . 0.0 112.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -98.39 100.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.541 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 1.9 Cg_endo -82.86 52.55 4.07 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.776 2.317 . . . . 0.0 111.623 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t 72.84 143.38 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.592 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -139.08 70.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.339 0.59 . . . . 0.0 109.785 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.6 89.2 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.948 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 61.8 47.44 6.15 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.188 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.9 p -101.35 48.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.999 0.428 . . . . 0.0 110.906 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -117.88 30.42 7.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.693 0.758 . . . . 0.0 109.216 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -165.4 87.75 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.669 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.84 87.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.486 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.9 mt -65.4 -27.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.049 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.04 -22.0 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.398 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -133.06 37.72 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.226 0.536 . . . . 0.0 110.366 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.09 -41.66 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.307 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.0 mm -80.29 -16.48 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 109.564 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.27 -31.26 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.945 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -79.65 -18.36 51.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.451 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.6 mt -87.81 -38.19 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.4 tp -73.14 -26.72 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -84.13 7.57 18.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 110.611 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 p -132.04 15.03 4.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.386 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.2 p -164.26 39.56 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.41 -14.24 38.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.74 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.11 35.72 3.29 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.504 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.04 43.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 110.708 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -95.28 38.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 110.013 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 m -114.87 114.78 43.93 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.104 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.44 127.26 16.98 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.156 1.904 . . . . 0.0 111.599 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.33 82.24 6.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.112 0.482 . . . . 0.0 109.927 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -111.45 97.21 6.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.237 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.05 -76.33 0.4 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.2 t 55.01 45.82 25.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 110.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -165.84 122.34 1.01 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.885 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.58 116.94 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.823 1.682 . . . . 0.0 110.836 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -74.27 73.28 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m 57.89 54.26 6.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.536 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.34 99.91 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.227 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.6 mt 55.46 61.99 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.694 0.759 . . . . 0.0 110.171 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -78.64 0.47 26.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -133.86 42.87 2.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.343 . . . . 0.0 110.794 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.33 -37.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.997 -1.097 . . . . 0.0 113.392 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -83.33 77.26 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.657 0.742 . . . . 0.0 110.506 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.0 97.92 4.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.082 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -130.96 39.05 3.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.784 0.802 . . . . 0.0 109.017 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -148.24 89.76 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.363 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.935 178.491 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.16 36.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 111.49 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 -56.44 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 tpt -164.56 55.55 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.163 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.9 ttm -143.38 33.45 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.401 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.509 ' HA ' HE21 ' A' ' 2' ' ' GLN . 0.1 OUTLIER -74.05 -32.96 63.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.523 -175.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.465 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.7 6.71 3.39 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 35.91 92.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.815 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -81.94 -19.82 39.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.578 0.228 . . . . 0.0 111.46 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -121.83 62.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.368 0.604 . . . . 0.0 111.116 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.36 86.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.828 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 m -141.17 90.16 9.32 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.13 130.63 21.84 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.766 2.311 . . . . 0.0 111.482 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 m -145.86 23.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.224 0.535 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -151.05 81.24 1.32 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 109.911 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.17 36.85 1.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.519 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 p 39.39 58.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.12 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -138.39 78.03 33.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.083 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -90.35 35.13 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.096 2.53 . . . . 0.0 111.836 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -111.28 101.32 50.17 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.84 49.49 2.5 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.952 2.435 . . . . 0.0 112.297 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t 56.86 37.25 28.68 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -161.0 140.12 10.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.77 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.1 69.84 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.748 0.655 . . . . 0.0 110.622 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -84.21 52.46 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.371 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t 63.56 82.4 0.18 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.476 0.485 . . . . 0.0 109.821 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -70.96 -62.11 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 54.61 87.54 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.884 0.74 . . . . 0.0 110.631 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -161.03 81.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.573 0.702 . . . . 0.0 109.829 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.6 mt -67.54 -26.57 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.047 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.81 -37.3 83.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.372 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -79.1 -28.06 42.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 110.715 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.19 -39.99 68.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 110.213 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.8 mm -73.08 -29.37 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.99 177.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.35 -31.82 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.062 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -63.11 -41.04 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.98 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.91 -26.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 109.965 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.942 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -133.33 40.49 3.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.546 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 15.8 p -143.24 -58.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.712 176.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.8 p -105.7 45.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.068 0.461 . . . . 0.0 111.217 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' HB2' ' HB3' ' A' ' 70' ' ' PRO . . . -77.57 78.97 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 110.215 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.64 -141.96 13.17 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' O ' ' HB2' ' A' ' 68' ' ' ASN . . . -84.62 79.81 9.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.847 0.323 . . . . 0.0 110.204 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.44 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 18.1 m120 77.47 -51.37 0.53 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.798 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -124.83 144.73 47.64 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.14 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HD3' ' O ' ' A' ' 63' ' ' SER . 55.2 Cg_endo -84.31 140.73 8.74 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.451 2.101 . . . . 0.0 111.28 175.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.42 62.38 7.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.424 0.631 . . . . 0.0 109.77 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -97.02 73.4 2.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.854 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.51 -45.39 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m 57.95 49.62 11.54 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.377 0.608 . . . . 0.0 110.275 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -160.67 87.88 1.76 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.02 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.2 104.34 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.748 2.299 . . . . 0.0 111.834 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -81.64 53.77 2.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.305 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 p -82.49 72.42 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.655 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.47 70.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.564 0.697 . . . . 0.0 109.315 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.8 80.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.826 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -87.31 2.84 49.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -153.56 95.92 1.96 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.927 0.394 . . . . 0.0 109.993 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.49 34.68 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.623 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.6 49.5 1.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.092 0.473 . . . . 0.0 110.776 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -135.17 161.33 35.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.577 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.4 m -101.67 45.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.178 0.513 . . . . 0.0 110.61 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -102.32 35.56 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.381 0.61 . . . . 0.0 109.905 177.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.23 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.15 45.5 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.9 0.48 . . . . 0.0 111.56 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -86.78 -19.55 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.2 ptp 38.6 53.18 1.86 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.177 0.923 . . . . 0.0 111.832 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HG2' ' H ' ' A' ' 2' ' ' GLN . 50.4 ttp -118.32 177.52 4.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.037 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.463 ' H ' ' HG2' ' A' ' 1' ' ' MET . 9.5 tt0 -55.2 -26.71 40.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.219 0.463 . . . . 0.0 111.048 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.46 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.44 36.54 2.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.67 71.51 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.556 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -107.54 69.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.512 0.673 . . . . 0.0 109.681 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -150.88 63.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.812 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 pt -127.15 171.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.355 0.598 . . . . 0.0 111.664 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 m -135.83 84.08 33.29 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.224 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.94 121.27 8.72 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.785 2.323 . . . . 0.0 112.304 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -146.85 123.98 11.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.404 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.96 50.09 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.3 tm? 58.95 75.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.719 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -102.45 55.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.172 0.987 . . . . 0.0 108.702 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -159.45 81.62 2.51 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.322 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.54 30.97 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.115 2.543 . . . . 0.0 112.018 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.55 ' CG2' ' HB2' ' A' ' 46' ' ' ARG . 7.0 m -112.25 97.29 38.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.828 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -85.5 89.41 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.489 2.126 . . . . 0.0 112.792 176.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m 56.67 64.78 1.57 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.5 0.667 . . . . 0.0 111.616 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.55 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 66.6 mtp180 -132.52 154.78 49.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.761 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.21 79.27 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -92.02 30.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.017 -175.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -131.19 45.18 2.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.441 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -67.93 -43.32 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.948 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -167.17 -59.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.686 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -168.02 77.92 0.15 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.657 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.34 -24.87 20.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -68.04 -10.81 56.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.123 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.9 m 73.6 40.32 0.51 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.263 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -66.06 -22.07 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.454 0.645 . . . . 0.0 109.649 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.3 mm -67.94 -20.61 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.371 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.79 -41.71 95.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.78 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 p -80.05 -18.71 49.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.191 0.519 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.7 mt -80.45 -36.33 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.992 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.38 -16.61 63.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 p -107.81 16.9 23.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.973 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.8 p -133.64 -30.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.026 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -124.07 53.9 1.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.227 0.536 . . . . 0.0 110.737 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 9.14 9.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.689 0.756 . . . . 0.0 110.137 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.47 157.02 25.32 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.706 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.92 41.85 0.83 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.26 36.06 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.276 0.56 . . . . 0.0 110.513 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.429 ' HB3' ' HD3' ' A' ' 70' ' ' PRO . 22.7 t -168.9 -54.6 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.187 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 68.2 Cg_endo -73.72 83.51 1.55 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.864 1.71 . . . . 0.0 111.619 174.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -113.83 39.47 2.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.578 0.704 . . . . 0.0 110.694 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -102.96 29.48 5.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.14 152.97 8.85 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.943 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 t -140.31 97.84 3.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.438 0.619 . . . . 0.0 110.501 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -162.46 136.52 4.88 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 96.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.695 2.263 . . . . 0.0 111.879 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -104.61 30.09 5.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.903 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -143.75 109.38 5.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.37 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.38 82.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.02 0.438 . . . . 0.0 110.562 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 32.4 mt 52.69 46.29 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 122.241 1.019 . . . . 0.0 110.303 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -85.89 -11.66 52.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 p -107.47 14.93 25.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 111.187 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.29 48.86 0.49 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.916 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -152.89 63.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.481 0.657 . . . . 0.0 110.1 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.9 mt -137.78 34.55 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 p -105.58 46.64 0.91 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 m -129.28 75.76 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.617 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.522 177.658 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -149.7 86.08 1.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 0.0 110.487 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -101.72 -17.27 16.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.972 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.5 tpp -121.98 36.95 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' HG2' ' H ' ' A' ' 4' ' ' ARG . 27.2 ttt 55.58 79.0 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.1 -26.01 68.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.321 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.412 ' H ' ' HG2' ' A' ' 1' ' ' MET . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.85 45.73 23.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.35 36.4 89.22 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.843 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -93.17 55.55 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.054 0.427 . . . . 0.0 110.562 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.6 m 63.53 75.64 0.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.08 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 35.6 pt -130.49 52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 0.0 110.924 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -114.65 80.75 6.54 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 71.2 Cg_endo -94.04 54.83 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.27 2.646 . . . . 0.0 111.674 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -120.84 38.63 3.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.428 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -141.43 46.8 1.7 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.743 0.782 . . . . 0.0 109.032 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.37 31.33 5.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.02 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t 71.38 105.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.814 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -135.24 83.83 37.48 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.218 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.23 7.18 2.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.119 2.546 . . . . 0.0 113.403 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.2 m -111.38 98.03 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.312 . . . . 0.0 110.218 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -87.8 50.39 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.227 2.618 . . . . 0.0 112.101 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.0 p -78.14 91.44 4.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.227 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.632 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 17.9 tpp180 59.08 71.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.48 18.34 16.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.866 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.42 134.05 15.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.219 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 p 52.06 96.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.665 0.786 . . . . 0.0 112.436 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -116.88 53.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.956 179.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -161.28 72.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.066 0.46 . . . . 0.0 110.495 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 3.1 mp0 -154.3 77.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.6 mt -69.5 -24.11 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.665 0.745 . . . . 0.0 109.857 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.01 -24.77 68.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.669 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 p -122.54 33.65 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.94 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 60' ' ' ILE . 25.8 mt -99.47 -37.3 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.047 175.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.53 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.192 0.52 . . . . 0.0 110.676 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.44 -25.46 66.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -84.18 -37.03 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.684 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 56' ' ' LEU . 84.6 mt -67.14 -27.5 39.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.916 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.3 -22.24 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.944 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -120.81 26.21 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.263 0.554 . . . . 0.0 109.868 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -154.06 58.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.477 0.656 . . . . 0.0 110.044 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -153.67 45.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.39 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.35 4.71 38.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.69 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.94 115.81 3.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.477 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.78 5.85 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.1 0.476 . . . . 0.0 111.134 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -157.31 70.95 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -136.22 141.15 35.06 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.961 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.61 136.11 68.75 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.68 2.253 . . . . 0.0 111.607 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.31 115.03 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.895 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -128.51 80.38 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.597 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.84 37.21 3.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.789 -176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -121.44 54.79 1.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -159.38 129.62 3.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.835 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 129.22 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.974 1.782 . . . . 0.0 110.965 172.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.62 134.81 57.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.999 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -77.59 65.12 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 110.782 -175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.43 -19.69 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.419 0.628 . . . . 0.0 110.171 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -100.07 68.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 0.0 109.496 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 p -87.55 -4.59 58.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.755 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 p -126.34 45.24 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.611 . . . . 0.0 110.065 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -152.38 31.19 0.86 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -133.43 97.69 4.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt 62.6 31.66 16.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.862 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 t -144.14 76.92 1.53 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.559 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -106.02 34.5 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.117 178.522 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 60.24 48.89 7.68 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.847 0.459 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -85.22 -16.69 39.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . 0.447 ' HB3' ' OE1' ' A' ' 2' ' ' GLN . 94.3 mmm 64.66 -175.31 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.343 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HE2' ' HA ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -156.65 57.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.335 0.588 . . . . 0.0 110.451 -177.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.447 ' OE1' ' HB3' ' A' ' 0' ' ' MET . 1.5 mp0 -80.59 -28.33 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.975 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.456 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.497 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.428 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.32 5.52 5.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.76 8.08 27.8 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.09 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -103.91 52.51 0.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.402 0.62 . . . . 0.0 110.555 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 t -148.46 125.89 11.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.332 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -116.13 78.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.255 0.55 . . . . 0.0 110.039 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 m -118.67 92.43 44.17 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.101 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -61.41 130.07 30.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.708 2.272 . . . . 0.0 111.64 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.65 68.31 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.485 0.66 . . . . 0.0 111.349 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.63 50.8 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.891 175.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.2 tp -149.29 56.85 1.0 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.883 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.9 t 62.06 91.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.061 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -120.17 90.78 45.16 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.285 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.28 58.39 3.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.4 2.733 . . . . 0.0 112.847 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -81.1 111.27 22.64 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.934 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.21 72.23 1.19 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.865 2.377 . . . . 0.0 112.941 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -160.02 103.09 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -173.14 162.36 4.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.63 49.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.389 0.614 . . . . 0.0 110.862 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -158.09 117.96 3.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.839 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.2 m -72.77 84.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 110.588 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 85.33 2.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 2.9 tmm_? 69.88 79.72 0.19 Allowed 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.135 0.897 . . . . 0.0 108.703 -170.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 4.0 mm-40 -164.74 92.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.692 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.504 ' O ' HG12 ' A' ' 57' ' ' ILE . 83.6 mt -72.97 -14.78 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -178.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.49 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.825 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -104.08 -1.79 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.407 0.623 . . . . 0.0 110.596 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.55 -18.61 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.939 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 53' ' ' ILE . 29.4 mm -88.46 5.91 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.636 0.731 . . . . 0.0 110.001 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.16 -42.68 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.555 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -71.2 -17.56 62.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.008 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.7 mt -92.41 -21.96 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.578 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -81.82 52.68 1.98 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m 51.46 51.46 16.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 p -112.51 6.9 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.065 0.459 . . . . 0.0 110.797 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -157.71 74.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.847 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -100.01 12.97 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.287 0.565 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.77 102.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.74 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.04 30.39 19.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.55 20.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.796 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.5 m -160.66 131.19 3.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.963 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.37 48.05 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.78 2.32 . . . . 0.0 112.389 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -131.13 20.65 4.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.352 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.549 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.3 tpm_? -110.75 24.65 12.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.487 0.66 . . . . 0.0 110.074 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.423 ' C ' ' HG ' ' A' ' 74' ' ' SER . . . -86.59 82.1 1.66 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.21 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.423 ' HG ' ' C ' ' A' ' 73' ' ' GLY . 33.7 p 48.75 46.79 21.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.343 0.657 . . . . 0.0 111.771 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -140.8 84.1 13.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.77 78.11 3.82 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.224 1.949 . . . . 0.0 110.461 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -73.99 88.19 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.339 -175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.2 m 59.79 52.86 5.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.269 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.49 62.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 109.028 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mt -121.7 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.67 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -26.27 49.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.274 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -72.88 -38.88 66.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.227 0.537 . . . . 0.0 110.383 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.1 -44.55 11.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.732 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 60.33 63.19 1.43 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.432 0.634 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.24 -69.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.908 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -95.52 57.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.361 0.6 . . . . 0.0 110.581 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.5 m -151.37 -70.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.247 0.971 0 O-C-N 123.978 0.799 . . . . 0.0 110.709 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.88 105.46 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.64 0.22 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 t60 68.09 -77.05 0.05 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.994 0.809 . . . . 0.0 110.555 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.6 ttm -151.38 -57.76 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttm -155.24 63.08 0.63 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.09 -16.85 62.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.535 -175.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.492 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.477 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.6 62.38 0.94 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.09 21.67 2.8 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.962 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 54.03 23.83 4.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.125 0.57 . . . . 0.0 111.602 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 t -171.62 138.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.9 mt -102.96 96.2 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.046 0.451 . . . . 0.0 110.138 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -92.53 115.21 64.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.89 106.22 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.659 2.239 . . . . 0.0 111.48 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -91.98 79.46 5.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.512 -171.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 70.46 88.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt 58.19 39.75 25.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.298 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.42 115.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.411 0.624 . . . . 0.0 110.129 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -114.98 102.54 54.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.249 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.5 Cg_exo -58.72 -12.03 13.41 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.075 2.517 . . . . 0.0 113.244 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.8 m -99.56 100.72 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 19.6 Cg_exo -67.44 84.42 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.733 2.288 . . . . 0.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -143.47 57.54 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -137.18 103.58 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.215 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.09 102.88 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.103 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 48' ' ' ASN . 8.6 m120 -118.14 52.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.032 0.444 . . . . 0.0 110.663 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 64.95 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 54.48 52.34 12.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.991 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -79.31 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -69.36 84.2 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.09 -26.1 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.439 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.13 -11.7 50.82 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.65 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -141.79 52.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.38 -54.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.544 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mm -73.69 -11.27 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 0.0 110.56 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.91 -36.82 84.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.757 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 m -83.41 -22.49 32.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.725 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.3 mt -81.02 -26.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.684 0.754 . . . . 0.0 109.482 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD11 ' O ' ' A' ' 61' ' ' LEU . 2.3 tm? -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.167 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m 64.43 28.27 13.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.944 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 m -154.82 63.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.28 0.562 . . . . 0.0 109.799 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -85.11 50.28 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.61 48.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.513 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.91 75.75 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.217 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' C ' HD21 ' A' ' 68' ' ' ASN . . . -77.81 1.23 20.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.663 0.268 . . . . 0.0 111.606 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.47 HD21 ' C ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -123.18 -77.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.164 178.631 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -172.99 91.34 0.38 Allowed Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.64 147.38 13.78 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.907 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -79.89 77.53 6.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.252 0.548 . . . . 0.0 110.239 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -129.94 32.25 4.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.889 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.9 -155.57 24.01 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.504 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -86.99 50.65 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.947 0.403 . . . . 0.0 111.183 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.57 81.92 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.142 0.496 . . . . 0.0 111.084 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.16 97.86 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.787 2.325 . . . . 0.0 111.202 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.25 51.67 11.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.432 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -162.46 78.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 109.688 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.6 p -82.27 -13.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.753 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.5 mt -95.42 78.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.668 0.747 . . . . 0.0 109.515 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 m -85.13 16.77 3.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.129 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -103.76 19.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 111.075 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.18 -68.83 0.42 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.477 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 53.8 55.03 8.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.275 0.559 . . . . 0.0 111.51 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.62 -40.37 15.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -133.25 19.84 4.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.5 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -90.43 61.68 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.247 0.546 . . . . 0.0 110.431 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.864 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -122.22 126.1 47.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.878 0.371 . . . . 0.0 110.6 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -71.77 -34.43 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.1 ptp -170.29 166.68 8.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.337 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.65 75.14 1.38 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.47 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.297 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.442 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.546 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD13 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 17.0 mm100 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 72.02 14.3 5.78 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.92 23.53 35.16 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.886 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -130.83 40.88 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.5 t -161.41 105.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.756 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 mt 54.24 44.76 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 122.214 1.006 . . . . 0.0 109.111 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -117.99 89.79 35.32 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.861 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.83 103.53 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.849 2.366 . . . . 0.0 112.507 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -159.54 41.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.569 0.7 . . . . 0.0 109.694 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -144.98 62.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.0 109.53 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 tp -143.97 69.23 1.28 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.254 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 t -114.83 95.22 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.102 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -139.3 78.52 27.7 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.93 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.56 -8.98 18.79 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.687 2.258 . . . . 0.0 112.139 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.7 m -95.89 109.38 46.19 Favored Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.39 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.384 2.056 . . . . 0.0 112.243 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 p -93.51 109.68 21.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.47 53.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 109.806 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.6 92.02 2.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.385 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 53.25 61.93 2.91 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.45 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 m -77.44 65.1 2.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.344 0.593 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 59.58 5.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -164.51 114.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.531 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 54.6 mm-40 77.49 85.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.03 0.831 . . . . 0.0 110.891 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.7 mt -70.61 -20.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.14 -19.22 64.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.27 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -120.96 32.31 6.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 109.952 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.0 tp -119.3 -26.41 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.138 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.54 -28.98 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.513 . . . . 0.0 111.017 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.02 -33.57 76.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 m -72.63 -26.27 61.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.98 -31.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.579 0.704 . . . . 0.0 109.547 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.3 tm? -68.27 -27.87 66.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.882 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -108.34 45.28 1.03 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.169 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 p -158.76 -43.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.514 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -130.66 99.77 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.177 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.72 9.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.343 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.66 -39.83 86.94 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.444 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.61 37.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.567 -0.372 . . . . 0.0 111.743 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -74.75 -32.88 62.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -157.17 67.79 4.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.643 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.08 154.26 74.79 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.359 2.039 . . . . 0.0 111.872 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.78 22.44 1.95 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -78.14 92.88 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.815 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.6 104.48 1.98 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.964 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -148.89 62.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.262 0.553 . . . . 0.0 110.208 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.81 130.12 23.47 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.485 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.44 87.36 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.329 2.019 . . . . 0.0 112.085 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.36 71.8 9.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 m 54.8 56.41 6.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.584 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.6 t -72.93 95.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.497 -177.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -118.76 82.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m 55.76 34.37 23.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -112.5 35.16 3.94 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.89 59.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.07 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -124.78 83.66 2.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.34 0.591 . . . . 0.0 110.218 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.93 -55.51 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.051 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 p -156.95 42.65 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.696 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 m -89.16 65.22 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.634 0.73 . . . . 0.0 110.681 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.054 178.646 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -80.58 61.17 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.204 0.526 . . . . 0.0 111.304 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -151.32 -59.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtm -105.12 159.77 15.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 50.0 ttm 62.21 46.45 6.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.919 0.866 . . . . 0.0 109.48 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -80.19 -28.2 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.195 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.454 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.494 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.58 5.06 4.03 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.9 0.27 56.36 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 69.58 -44.68 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 112.934 176.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -151.97 125.29 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.025 -0.422 . . . . 0.0 111.321 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.9 mt 57.34 76.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.747 0.784 . . . . 0.0 110.326 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.6 m -134.33 97.36 14.77 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.244 -176.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.96 130.56 40.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.662 2.241 . . . . 0.0 112.477 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 m -70.71 86.93 0.67 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 54.98 52.19 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.1 mt -129.48 45.01 2.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.287 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.41 81.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.672 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 p -147.23 66.83 10.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.968 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.44 18.58 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.569 2.179 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -105.72 100.23 26.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.158 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.62 10.1 2.96 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.682 2.255 . . . . 0.0 113.246 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -98.03 122.38 41.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 151.7 36.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.49 70.73 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m120 54.7 65.13 1.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.378 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -80.08 76.36 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.148 0.499 . . . . 0.0 111.356 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -154.83 16.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.47 0.652 . . . . 0.0 109.343 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.44 ' HD3' ' H ' ' A' ' 52' ' ' GLU . 14.0 tpp180 -76.97 147.81 36.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.44 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 28.4 mp0 -70.26 73.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.78 -24.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.398 0.618 . . . . 0.0 109.952 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.62 -9.7 51.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.186 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t 71.05 58.0 0.2 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.787 0.803 . . . . 0.0 109.848 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.436 ' O ' HD13 ' A' ' 56' ' ' LEU . 1.7 tm? -82.66 -33.09 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.896 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.76 -7.13 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -34.21 76.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 110.933 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 p -74.33 -15.76 60.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.69 -33.94 5.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.0 tp -78.91 2.18 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.037 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 p -89.73 -8.11 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 0.0 110.5 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 p -139.0 27.78 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -142.85 101.49 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.589 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.62 69.74 8.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.249 0.547 . . . . 0.0 110.104 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.99 -179.09 48.8 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.431 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.04 85.58 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 64.3 28.82 13.83 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.9 t -162.25 128.62 2.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.521 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.8 178.34 6.6 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.746 2.297 . . . . 0.0 112.253 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -88.09 -54.12 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.977 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 56.65 45.38 22.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.207 0.527 . . . . 0.0 110.461 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.69 59.19 4.03 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.965 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.6 t 57.73 60.78 2.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.181 0.515 . . . . 0.0 110.2 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -137.28 108.55 8.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.114 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.29 71.71 2.31 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.966 2.444 . . . . 0.0 111.92 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.66 80.48 8.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.497 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m 66.38 42.97 2.79 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.189 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.89 82.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.696 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.421 ' HB ' HD22 ' A' ' 85' ' ' LEU . 68.6 mt -122.48 105.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.641 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -75.14 -18.3 60.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.924 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p -145.72 88.86 1.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.614 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.54 -150.51 5.96 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.296 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.51 65.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 110.042 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 85' ' ' LEU . 2.9 mm? -96.57 79.98 3.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.6 p -84.11 72.26 10.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.3 m 74.6 -42.6 0.5 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.562 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.532 -178.489 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -69.71 -20.37 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 111.44 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -64.79 -31.17 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 0.0 110.017 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.4 65.09 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.235 0.54 . . . . 0.0 110.308 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm -142.57 47.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.44 -32.05 66.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.905 -1.043 . . . . 0.0 113.265 -169.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 49.74 46.8 23.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -89.61 0.52 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.687 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -136.27 74.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.633 0.254 . . . . 0.0 110.78 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m 59.92 71.92 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.275 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt 64.84 82.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.175 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -121.59 95.84 47.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.98 145.1 94.21 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.894 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -138.71 150.54 46.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 66.25 32.28 7.99 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.549 0.69 . . . . 0.0 110.134 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.7 tp -87.23 67.44 9.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.706 0.765 . . . . 0.0 109.159 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -123.58 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.092 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.469 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 9.6 t -139.76 63.06 24.91 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.959 175.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.472 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 38.8 Cg_endo -99.06 39.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.73 2.953 . . . . 0.0 112.05 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -102.62 100.85 17.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 -176.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -73.43 76.51 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.984 2.456 . . . . 0.0 112.467 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -157.54 152.7 25.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.327 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.89 151.13 30.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.35 83.89 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 111.158 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -148.08 68.45 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.552 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 t -141.01 136.19 31.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.987 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.449 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.8 tmm_? -122.96 26.95 7.9 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 7.3 tmm_? 68.8 122.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.137 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.7 pt-20 49.16 95.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 122.49 1.138 . . . . 0.0 111.718 -173.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.11 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.471 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.74 -17.28 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m 58.15 37.95 26.36 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.966 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 60' ' ' ILE . 50.9 tp -62.48 -58.33 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.966 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.2 mm -69.9 -32.39 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.365 0.602 . . . . 0.0 109.832 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.21 -33.02 75.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.478 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 t -78.53 -31.6 47.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.034 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -69.66 -30.44 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.846 0.831 . . . . 0.0 109.262 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.19 9.75 29.88 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -128.02 33.09 4.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.1 p -140.65 45.53 1.81 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.199 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.569 ' HA ' ' O ' ' A' ' 69' ' ' SER . 38.9 t 74.28 137.86 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.675 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.99 67.31 0.93 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.109 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.51 -102.28 0.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.39 41.84 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 110.424 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.419 ' CG ' ' H ' ' A' ' 69' ' ' SER . 27.6 p-10 -146.91 -68.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.772 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 64' ' ' SER . 29.6 p -176.78 127.57 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 C-N-CA 122.441 0.296 . . . . 0.0 110.252 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.37 140.34 30.21 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.055 1.837 . . . . 0.0 110.462 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -59.74 -38.63 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.084 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.421 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 4.1 tpm_? 49.66 64.95 1.55 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.803 0.69 . . . . 0.0 111.105 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.98 173.97 15.86 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.394 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -126.85 93.02 3.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.98 0.39 . . . . 0.0 110.174 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.432 ' N ' ' HD3' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -159.42 143.51 10.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.519 177.148 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 75' ' ' ARG . 1.7 Cg_endo -83.73 95.38 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.508 2.138 . . . . 0.0 112.125 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -85.01 74.46 10.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.956 0.408 . . . . 0.0 110.274 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -141.44 98.68 3.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.147 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.92 79.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.9 71.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.11 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -139.42 31.97 2.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.262 0.553 . . . . 0.0 110.218 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -156.35 129.91 8.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.94 44.04 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 65.06 28.3 12.39 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.732 0.413 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.85 136.41 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.38 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 p -114.18 26.79 9.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -149.11 -78.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.245 0.863 0 O-C-N 124.072 0.857 . . . . 0.0 112.21 179.187 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.523 ' O ' ' HB2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.789 -0.124 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -73.98 6.0 3.76 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -112.61 -2.98 14.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 94.9 mmm -112.68 22.0 15.0 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.957 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp 58.03 59.47 3.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 109.351 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.523 ' HB2' ' O ' ' A' ' -3' ' ' GLY . 57.3 tt0 -66.28 -32.97 74.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.211 -169.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.485 ' HZ2' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HB3' ' HZ3' ' A' ' 19' ' ' LYS . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.94 27.72 16.05 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.16 87.53 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.585 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 mmp_? -105.3 39.43 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.849 0.356 . . . . 0.0 111.149 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -135.63 48.86 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.451 0.643 . . . . 0.0 110.368 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 32.7 mt -116.48 82.64 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.344 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -111.85 90.6 13.39 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.817 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 3.6 Cg_exo -74.28 89.24 1.07 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.68 2.254 . . . . 0.0 111.478 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -91.49 -23.55 19.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.999 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.25 76.0 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.324 0.583 . . . . 0.0 109.881 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.47 76.68 9.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.438 0.637 . . . . 0.0 109.659 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.81 86.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.504 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 m -134.97 70.01 70.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.607 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -80.82 43.43 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.092 2.528 . . . . 0.0 111.947 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -109.36 99.81 38.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.536 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -98.91 49.25 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.268 2.646 . . . . 0.0 112.251 178.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -137.75 87.08 2.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.174 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 60.45 60.95 1.86 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.692 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.14 39.18 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.113 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.74 94.9 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.056 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t 73.19 127.57 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.796 0.685 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -99.37 23.49 9.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.634 0.731 . . . . 0.0 109.647 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.438 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 6.1 tmm_? -75.16 105.21 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 33.2 mt-10 -163.35 99.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 53' ' ' ILE . 32.7 mt -90.19 10.35 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.729 0.776 . . . . 0.0 110.443 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.63 -32.17 73.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.53 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 p -154.85 -30.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.18 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.2 tp 66.89 11.22 8.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.53 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.1 mm -81.9 -0.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.756 0.789 . . . . 0.0 109.494 179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.43 -32.49 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.665 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -72.89 -20.25 61.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.357 0.598 . . . . 0.0 109.975 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mp -89.07 -29.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.206 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 78.1 mt -73.91 -23.52 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.055 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -103.74 -9.34 19.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.29 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m 58.1 35.74 25.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -93.31 72.19 4.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.83 18.97 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.582 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.94 -95.37 2.21 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.945 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 52.53 69.39 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.696 0.398 . . . . 0.0 111.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -96.54 4.76 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.54 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 t 61.18 77.73 0.35 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.718 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -75.3 52.86 3.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.525 2.15 . . . . 0.0 111.77 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -136.0 42.69 2.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.691 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.63 47.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.778 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.12 40.6 41.93 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.637 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 p -111.19 38.5 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -166.04 87.0 0.91 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.539 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.47 53.73 4.86 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.916 2.411 . . . . 0.0 112.791 -177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 54.4 85.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.008 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 m -91.71 45.92 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.143 0.497 . . . . 0.0 110.535 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -88.62 78.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.468 0.652 . . . . 0.0 109.545 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.4 mt -102.95 88.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.576 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 p -71.77 -25.34 61.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.831 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 t -159.21 81.73 0.77 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.696 0.76 . . . . 0.0 110.756 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.97 -47.81 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.391 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -142.42 59.11 1.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.2 tp -136.2 104.06 5.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.762 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 p -107.06 36.04 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.495 0.665 . . . . 0.0 110.332 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -132.59 105.35 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.01 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 0.976 0 O-C-N 124.388 1.055 . . . . 0.0 111.783 -176.841 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -109.26 35.53 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.482 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.5 m80 66.83 -82.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt 49.24 53.71 12.17 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.122 0.486 . . . . 0.0 112.029 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.505 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 56.5 ttm -87.59 69.36 9.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.578 . . . . 0.0 109.717 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.91 -43.74 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 13.91 7.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 -42.52 1.37 Allowed Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 43.35 82.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.037 0.935 . . . . 0.0 112.688 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 m 74.34 129.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.062 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.7 mt 60.84 67.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.431 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 m -126.84 82.11 68.13 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.747 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.93 113.62 1.65 Allowed 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.097 2.532 . . . . 0.0 112.601 -176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 t -146.5 50.58 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.968 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.437 ' H ' HG22 ' A' ' 40' ' ' VAL . 36.8 tt0 -138.6 67.31 1.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.893 -175.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt 52.24 45.38 28.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.503 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.437 HG22 ' H ' ' A' ' 38' ' ' GLU . 61.5 t -85.63 86.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.627 -172.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 t -158.79 84.08 2.49 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.81 -1.087 . . . . 0.0 108.919 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HA ' ' OD1' ' A' ' 48' ' ' ASN . 16.6 Cg_exo -68.95 63.68 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.393 2.729 . . . . 0.0 112.391 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.5 m -102.5 101.49 20.35 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.851 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.415 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 22.0 Cg_exo -66.68 74.43 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.916 2.41 . . . . 0.0 112.984 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 t -157.59 53.09 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 72.61 145.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.588 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.99 48.88 4.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.393 0.616 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.498 ' OD1' ' HA ' ' A' ' 42' ' ' PRO . 31.9 t30 -133.69 90.47 2.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.968 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.5 m -97.51 31.13 2.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.368 0.604 . . . . 0.0 110.276 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -118.21 80.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.921 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -161.11 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.592 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 31.3 mt-10 -164.34 76.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.887 -175.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.1 mt -77.53 -29.5 16.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.465 0.65 . . . . 0.0 109.723 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.82 -43.73 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.592 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 13.5 p -80.76 -22.16 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.892 0.377 . . . . 0.0 110.294 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.8 -47.38 78.28 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.62 -34.28 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.861 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.81 -31.68 72.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.583 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.7 m -68.51 -27.19 65.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.236 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.0 mt -79.56 -37.85 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.49 0.662 . . . . 0.0 109.627 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 61' ' ' LEU . 2.8 tm? -68.57 -21.93 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.973 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -113.82 17.68 17.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -171.79 108.32 0.24 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.819 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m 60.13 68.16 0.8 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.728 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.25 130.54 52.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.306 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.53 111.69 0.77 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.467 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.52 31.52 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.149 0.5 . . . . 0.0 110.677 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -129.48 21.59 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 53.71 69.83 2.05 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.52 159.33 35.89 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.125 1.883 . . . . 0.0 111.75 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -75.69 90.41 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -78.73 74.75 5.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.296 -174.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.9 73.24 0.26 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.493 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 m -79.33 68.0 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 0.0 110.686 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -134.49 152.29 77.63 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.328 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.1 70.25 6.75 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.236 1.957 . . . . 0.0 111.965 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.43 166.88 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.932 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -147.89 95.96 2.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.15 78.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.6 mt -134.32 123.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.861 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -78.27 52.46 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 110.969 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -145.05 67.97 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.03 -21.53 1.77 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -173.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 55.66 66.8 1.12 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.327 -0.936 . . . . 0.0 111.265 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -36.33 83.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.16 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.402 ' O ' ' HB ' ' A' ' 87' ' ' THR . 10.9 p -141.37 49.06 1.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.296 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 86' ' ' SER . 38.7 m 73.21 -48.51 0.68 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.209 -167.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.9 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.81 -75.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.423 0.689 . . . . 0.0 112.011 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -114.03 -62.18 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.482 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mmm 50.71 45.31 27.18 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.424 0.631 . . . . 0.0 110.34 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm -166.39 64.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.158 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.84 -25.71 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.933 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.435 ' HZ3' ' HB2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.625 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.625 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 28.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.428 ' HA ' ' H ' ' A' ' 34' ' ' ILE . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.46 18.47 11.07 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.56 -36.92 3.99 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.144 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 tpm_? -142.06 77.04 1.57 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.131 0.465 . . . . 0.0 112.179 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m 47.55 57.9 5.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.747 171.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.52 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 76.5 mt 70.24 94.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.109 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m -104.36 95.23 7.99 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 11.3 Cg_exo -71.51 79.72 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.94 2.427 . . . . 0.0 112.514 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -100.46 84.67 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.29 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 59.91 66.51 0.97 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.473 0.654 . . . . 0.0 110.318 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.53 71.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.601 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t 59.84 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 121.627 0.727 . . . . 0.0 110.982 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 m -147.95 84.87 6.71 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.784 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.408 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 2.3 Cg_endo -81.1 51.39 3.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.224 2.616 . . . . 0.0 111.834 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.1 m -103.15 104.59 41.42 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.648 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -74.27 83.76 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.7 m 57.75 26.86 13.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.891 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 59.09 18.43 6.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.44 91.88 8.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.493 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 54.13 68.34 0.87 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.429 0.633 . . . . 0.0 110.562 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -143.6 75.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.181 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 56.5 40.52 29.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.736 0.779 . . . . 0.0 109.781 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.523 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 6.8 tmm_? -76.2 97.41 4.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.654 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.523 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.2 pt-20 49.51 97.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.678 1.191 . . . . 0.0 113.162 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.3 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.804 172.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.82 -21.65 66.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.351 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -135.89 41.68 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.151 0.5 . . . . 0.0 110.003 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.14 -41.11 2.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.7 mm -85.84 -28.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.605 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -63.36 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.599 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -71.13 -35.89 71.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.687 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.79 -33.66 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.447 ' HA ' ' HB2' ' A' ' 65' ' ' ALA . 53.3 tp -75.98 -11.61 59.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.727 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 t -108.43 16.98 22.6 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.461 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 15.5 p -140.88 -54.32 0.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.366 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.6 p -161.42 74.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.869 -175.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB2' ' HA ' ' A' ' 61' ' ' LEU . . . -142.13 65.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 0.0 110.912 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.52 171.21 35.26 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.615 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.29 -8.02 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.824 0.345 . . . . 0.0 111.348 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -136.44 62.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 p -115.94 87.69 19.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.143 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -89.89 -169.83 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.818 2.345 . . . . 0.0 111.275 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.485 HH11 ' ND2' ' A' ' 77' ' ' ASN . 1.5 tmm_? -65.3 -51.75 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.06 133.37 41.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.395 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.65 -119.01 0.82 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.616 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m -109.21 57.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.335 0.588 . . . . 0.0 110.397 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 63' ' ' SER . 63.7 ttt180 -147.4 122.9 5.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.348 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.02 83.42 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.024 1.816 . . . . 0.0 110.893 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.485 ' ND2' HH11 ' A' ' 71' ' ' ARG . 33.9 m-80 -57.63 112.53 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.874 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 t 64.58 89.3 0.09 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.927 0.767 . . . . 0.0 109.349 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.2 t -77.97 72.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mt -116.79 70.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.404 0.621 . . . . 0.0 109.723 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m 56.55 27.85 12.99 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.121 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -101.71 -79.18 0.52 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.406 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.84 22.02 16.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.583 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.97 82.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.454 0.645 . . . . 0.0 109.533 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.52 42.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.283 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.9 p -145.56 29.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.344 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.0 m -123.09 -56.73 1.73 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.602 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.948 -0.548 . . . . 0.0 110.734 178.625 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -138.44 38.62 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -76.89 -31.22 56.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm -98.1 177.7 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 41.8 ttp -135.79 30.98 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.46 -31.16 72.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.672 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.458 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 29.4 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.488 ' O ' ' HB1' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 29' ' ' ALA . . . 159.47 -49.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.89 77.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 61.2 mmt-85 -122.78 39.08 4.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.297 0.57 . . . . 0.0 111.134 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 p -114.41 50.73 0.93 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.3 mt -91.38 119.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.959 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -60.89 112.18 5.3 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.401 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 107.06 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.387 2.058 . . . . 0.0 111.846 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -99.93 130.62 46.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.262 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 61.62 53.83 3.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.892 0.853 . . . . 0.0 109.437 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -91.04 48.35 1.51 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.57 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.61 83.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.883 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 m -152.28 76.45 7.01 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.413 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -88.75 33.5 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.256 2.638 . . . . 0.0 112.304 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -111.79 100.01 47.05 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.846 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.89 108.27 2.07 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.57 2.18 . . . . 0.0 111.612 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 t -128.35 115.8 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.737 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -166.12 -37.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.129 0.49 . . . . 0.0 110.334 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.33 74.18 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.255 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -103.31 37.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.388 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m 61.62 77.69 0.32 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 110.144 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.64 108.74 12.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.557 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 12.2 tpp180 -77.79 63.9 2.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.269 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 16.8 mm-40 -167.49 104.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.409 ' O ' HG12 ' A' ' 57' ' ' ILE . 92.2 mt -55.9 -33.79 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.976 -169.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -65.35 -34.82 79.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.982 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 p -104.3 -14.65 15.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.926 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.4 -42.95 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.701 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 53' ' ' ILE . 47.3 mm -68.02 -30.34 47.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.91 -37.41 81.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.966 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 p -73.38 -25.1 60.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 0.0 110.802 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -78.95 -31.58 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 173.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 43.0 tp -66.82 -12.54 59.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.006 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -118.97 18.89 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.508 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 p -147.53 -36.25 0.22 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -137.79 23.71 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.787 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 61' ' ' LEU . . . -112.34 125.37 54.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.452 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.38 -61.95 0.65 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.02 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.34 31.42 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.45 ' N ' HD21 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 56.08 45.15 24.11 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.502 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m 59.67 81.26 0.25 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.149 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.09 141.42 93.91 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.566 2.178 . . . . 0.0 112.313 -173.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -82.66 67.24 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.557 0.694 . . . . 0.0 110.079 -176.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -84.56 64.58 8.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.263 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.0 94.77 1.19 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.145 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.1 m -82.29 66.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.219 0.533 . . . . 0.0 109.866 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -168.04 92.61 0.64 Allowed Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.41 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.82 95.45 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.279 1.986 . . . . 0.0 112.309 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.34 81.32 7.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.407 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m 58.95 61.53 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.227 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.05 75.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.9 mt -115.79 102.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.71 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 p -87.05 -48.58 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 p -139.72 39.82 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.238 0.542 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.11 -52.75 4.4 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.42 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 55.65 34.81 24.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.251 0.548 . . . . 0.0 110.955 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.98 2.2 11.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -157.79 39.28 0.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.615 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -129.58 85.65 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.441 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.025 178.463 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -89.43 109.5 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.398 . . . . 0.0 110.657 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . 0.4 ' O ' ' HD3' ' A' ' 4' ' ' ARG . 44.4 m80 -96.52 -69.54 0.75 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 56.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.5 -171.56 2.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.654 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -50.4 -39.33 46.7 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.72 0.637 . . . . 0.0 112.355 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.4 ' HD3' ' O ' ' A' ' -1' ' ' HIS . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.577 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.577 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 27.39 4.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.74 64.97 0.13 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.386 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.93 -16.77 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 p -125.4 96.52 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.251 0.548 . . . . 0.0 110.789 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.27 85.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 m -120.39 93.52 48.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.82 107.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.882 2.388 . . . . 0.0 112.262 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.2 t -161.58 136.92 7.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.54 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -121.43 46.32 2.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.811 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.0 55.69 1.11 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.77 75.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.4 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 t -165.6 91.2 0.89 Allowed Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.318 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -92.33 34.65 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.034 2.489 . . . . 0.0 111.177 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -111.53 107.11 56.93 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.041 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -72.1 71.76 2.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.065 1.843 . . . . 0.0 111.091 172.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -57.07 102.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.229 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 61.33 78.58 0.28 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.901 0.751 . . . . 0.0 110.677 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 77.21 5.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.283 0.563 . . . . 0.0 110.607 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -115.47 151.16 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.632 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m 59.43 72.26 0.54 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.347 0.594 . . . . 0.0 110.219 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 4.5 mmp_? -124.69 85.57 2.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.888 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.15 37.98 23.83 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 61.58 81.33 0.2 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.507 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 92.2 mt -62.5 -25.74 38.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.543 -177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.94 -10.8 53.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 p -131.4 25.4 4.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.622 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.4 mt -94.33 -34.96 12.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.51 -18.9 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 111.314 -172.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB3' ' OG ' ' A' ' 64' ' ' SER . 14.2 m-20 -64.54 -33.7 76.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.207 0.527 . . . . 0.0 111.406 -176.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -77.29 -27.2 52.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.318 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.26 -25.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.29 -6.1 57.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.796 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.3 m 66.53 12.48 8.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.905 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 p -86.46 -37.77 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.411 ' OG ' ' HB3' ' A' ' 58' ' ' ASP . 12.1 m -105.29 50.53 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.726 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.75 113.77 5.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.574 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.82 133.01 1.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.149 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.69 36.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.279 0.561 . . . . 0.0 110.518 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.19 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.589 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 p -161.46 80.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.19 165.81 31.04 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.116 1.878 . . . . 0.0 111.038 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -82.19 55.34 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.5 0.667 . . . . 0.0 110.479 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.368 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.73 82.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.004 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -151.88 73.05 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -167.68 135.68 1.95 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.219 -174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -67.08 94.66 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.432 2.088 . . . . 0.0 111.258 174.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -116.84 82.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.615 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 m 60.92 37.28 18.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.151 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.37 58.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.858 0.837 . . . . 0.0 109.019 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.59 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.869 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 m -78.85 -21.51 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.868 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 t -175.35 169.5 3.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.81 -26.06 9.7 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.303 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -150.1 83.28 1.38 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.114 0.483 . . . . 0.0 109.783 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.51 65.59 1.01 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.188 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -135.17 49.33 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.2 m 71.91 88.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.942 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.793 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -79.84 99.94 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -85.87 -18.81 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 85.9 mtp -115.02 -56.15 2.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt 55.58 76.92 0.25 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.42 0.629 . . . . 0.0 110.101 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.33 -22.65 67.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.819 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.498 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.579 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.579 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.25 32.25 20.0 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.56 25.96 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.646 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -112.61 45.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.377 0.608 . . . . 0.0 110.132 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -159.58 91.29 0.98 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.847 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -124.06 80.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.051 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -130.59 78.35 74.17 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.324 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 79.31 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.952 2.435 . . . . 0.0 112.048 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m 58.08 64.15 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.244 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -126.59 70.4 1.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.757 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 79.2 mt -146.63 131.42 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.809 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.454 ' O ' HG11 ' A' ' 40' ' ' VAL . 7.1 p -67.52 96.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.621 0.724 . . . . 0.0 111.052 177.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m 57.38 70.41 1.35 Allowed Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.641 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 94.9 Cg_endo -81.27 26.57 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.668 2.246 . . . . 0.0 111.813 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -101.44 115.93 64.35 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.451 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.02 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 112.192 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -80.28 75.68 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -150.24 156.93 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 59.53 40.91 19.89 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.422 0.629 . . . . 0.0 110.898 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -118.16 44.19 2.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.423 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m -149.23 93.62 2.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -97.86 77.43 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 110.485 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -77.24 117.08 18.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.522 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -170.02 130.47 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.306 0.574 . . . . 0.0 111.097 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -93.08 -5.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.872 0.844 . . . . 0.0 109.323 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.31 -20.92 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.096 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 p -116.0 28.92 8.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.323 0.582 . . . . 0.0 110.387 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.6 tp -130.0 -3.13 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.672 -177.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -90.45 -36.53 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -174.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -67.18 -26.69 66.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 111.175 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 p -72.48 -30.86 64.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.275 0.559 . . . . 0.0 110.433 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.13 -33.4 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.697 0.761 . . . . 0.0 109.37 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.2 tm? -66.6 -28.67 68.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.33 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.2 p -96.6 20.83 10.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.432 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -145.24 -41.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -131.1 76.54 1.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.35 0.595 . . . . 0.0 110.609 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.19 22.72 12.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.785 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.38 -35.18 77.93 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.558 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.52 7.32 30.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -142.08 34.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.455 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 p -153.34 82.14 4.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.47 151.37 70.72 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.186 1.924 . . . . 0.0 111.365 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.36 83.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 0.0 110.287 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -109.94 85.12 2.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.162 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.31 -152.11 7.27 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.903 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 m -84.16 47.81 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.122 0.487 . . . . 0.0 110.828 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -144.68 121.73 6.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.55 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.43 130.82 35.34 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.587 2.192 . . . . 0.0 111.875 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.444 HD21 ' N ' ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.55 67.11 3.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.732 176.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.7 m 62.18 64.46 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.138 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.77 89.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.033 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -116.78 85.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -27.94 67.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.839 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -113.76 45.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.791 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.79 43.8 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.231 179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -139.35 75.36 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.602 0.715 . . . . 0.0 110.56 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mp -100.87 -37.23 8.76 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -158.56 57.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.362 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 m 57.4 68.65 0.82 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.751 0.786 . . . . 0.0 109.996 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.324 -175.066 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.34 -79.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.268 0.627 . . . . 0.0 111.226 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -151.5 17.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.355 0.598 . . . . 0.0 109.407 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.8 mtm -133.13 143.09 49.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.538 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 42.5 ttp -88.8 66.25 7.94 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 178.069 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.97 -41.37 36.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.343 -171.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.505 HD13 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.406 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.502 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.418 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.532 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 31' ' ' GLY . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 77.1 -26.2 0.19 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 29' ' ' ALA . . . -108.53 46.62 1.14 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.003 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -127.14 61.57 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.328 0.585 . . . . 0.0 109.717 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 p -157.56 75.81 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.718 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt 60.08 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.945 0.879 . . . . 0.0 108.893 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -121.57 98.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.609 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.6 107.73 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.589 2.192 . . . . 0.0 111.784 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 m -134.41 61.22 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.058 0.456 . . . . 0.0 110.49 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.35 40.43 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.027 0.918 . . . . 0.0 109.173 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.59 42.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.953 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 64.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.785 0.802 . . . . 0.0 109.82 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 20.7 m -140.18 64.91 27.36 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.87 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.492 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 10.0 Cg_endo -91.25 53.28 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.34 2.693 . . . . 0.0 111.423 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -107.6 97.18 18.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.293 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 98.9 Cg_endo -102.65 27.46 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.367 2.711 . . . . 0.0 112.646 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 m -100.53 42.92 1.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.756 0.312 . . . . 0.0 111.113 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 66.8 114.06 0.03 OUTLIER 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.197 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 59.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.623 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.407 ' N ' HD21 ' A' ' 48' ' ' ASN . 0.9 OUTLIER -92.28 39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.532 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 t -137.66 110.7 7.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 62.16 34.41 16.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.519 0.676 . . . . 0.0 110.056 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.69 92.81 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -171.08 110.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.79 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.8 mt -85.95 -31.65 6.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.072 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.88 -43.46 83.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.61 26.1 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.327 0.584 . . . . 0.0 110.858 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.18 -6.23 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.24 -31.61 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.51 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.7 -44.36 93.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.237 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -71.07 -28.23 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.773 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.77 -35.35 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.1 tp -88.71 8.52 28.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m 55.79 37.77 29.26 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.329 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.8 m 60.15 67.91 0.82 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.154 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m 62.86 46.62 4.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.771 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.89 77.13 9.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 110.047 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.02 -156.34 32.34 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.205 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.62 54.46 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.035 0.445 . . . . 0.0 110.754 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -85.37 -69.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.37 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -167.81 153.0 6.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.87 75.46 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.653 2.235 . . . . 0.0 111.329 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -128.67 85.61 2.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.97 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -133.39 60.44 1.7 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.63 43.36 3.24 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.59 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 p -89.56 36.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.959 0.409 . . . . 0.0 111.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -149.85 131.3 7.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.85 113.77 2.31 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.574 2.182 . . . . 0.0 111.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.98 77.19 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.359 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.6 m 57.94 56.33 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.864 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -95.53 73.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.596 0.712 . . . . 0.0 109.808 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.3 mt -107.61 111.36 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.986 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -80.18 -20.32 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.61 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -168.38 160.87 11.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 110.21 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.22 -59.56 0.42 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -128.78 42.77 3.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.33 -14.52 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.953 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 p -114.2 32.61 5.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.424 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -93.72 65.17 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.033 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.955 -178.433 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.68 33.58 23.42 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.013 0.525 . . . . 0.0 112.135 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -140.32 -70.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.989 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mtp 59.41 79.14 0.24 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.282 0.563 . . . . 0.0 110.625 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt -80.0 94.59 5.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.88 -37.05 80.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.205 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.44 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.53 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 78.18 -22.8 0.27 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 28.18 11.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 46.96 42.76 12.85 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.783 0.833 . . . . 0.0 111.895 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m 63.07 61.16 1.13 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.164 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt 62.76 78.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.817 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -155.57 100.01 2.24 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.551 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.59 118.2 5.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.38 2.053 . . . . 0.0 111.55 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -80.59 60.45 3.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.283 0.564 . . . . 0.0 111.459 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -133.27 67.97 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.13 71.04 1.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.011 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.69 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.947 0.879 . . . . 0.0 109.433 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -156.35 78.54 4.13 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.892 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.29 38.78 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.405 2.737 . . . . 0.0 112.152 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 m -99.04 107.3 43.26 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.128 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.66 92.95 0.51 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.254 1.969 . . . . 0.0 111.682 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -75.2 106.69 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -115.96 141.73 47.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.17 57.37 2.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.321 0.581 . . . . 0.0 110.412 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -114.14 110.15 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -155.45 55.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.6 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.3 tmm_? -94.52 -13.45 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.388 0.613 . . . . 0.0 109.478 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -70.16 136.92 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.202 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -163.86 112.98 1.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.139 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.94 -10.35 11.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.59 0.709 . . . . 0.0 110.165 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.46 -8.84 36.6 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.558 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.4 m 75.31 27.33 1.09 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.901 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.11 -36.32 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.679 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -83.29 -17.93 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.17 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.262 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 m -71.36 -29.45 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.7 mt -74.97 -35.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 121.479 0.657 . . . . 0.0 109.354 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.53 HD11 ' O ' ' A' ' 61' ' ' LEU . 2.6 tm? -67.81 -23.41 65.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.209 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -94.35 2.6 55.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.569 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m 61.59 16.26 7.53 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.041 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -129.15 51.61 2.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.56 90.03 7.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.909 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.96 138.77 8.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.917 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.73 55.58 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.53 61.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.5 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 62.06 72.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.137 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.87 147.28 61.82 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.238 1.958 . . . . 0.0 111.275 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -72.03 86.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.057 0.456 . . . . 0.0 110.448 -176.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -139.39 47.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.96 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.8 -90.54 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.759 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 t 60.43 50.64 5.83 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.121 0.486 . . . . 0.0 110.562 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -140.22 118.19 8.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.957 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.89 105.0 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.278 1.985 . . . . 0.0 111.329 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 78.5 9.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.316 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -145.34 53.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.705 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 t -81.94 64.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.636 0.731 . . . . 0.0 110.096 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mt -106.18 69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -168.34 -74.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.708 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 p -97.92 57.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 0.0 111.191 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.2 26.36 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.943 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -174.11 90.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 26.5 tp -129.29 8.84 5.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 178.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.404 ' C ' ' HG1' ' A' ' 87' ' ' THR . 48.3 m 63.97 10.44 5.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.126 -175.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.404 ' HG1' ' C ' ' A' ' 86' ' ' SER . 25.0 m -161.03 78.13 0.58 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.76 -174.355 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -141.88 98.95 3.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.609 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -78.38 -34.5 48.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm -112.56 -169.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.677 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.7 ttp 60.88 42.38 13.14 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.91 0.862 . . . . 0.0 110.062 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -70.91 -30.02 66.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.085 -175.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.453 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 14' ' ' ARG . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.43 38.23 0.41 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 137.75 -73.36 0.43 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.961 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -92.85 123.13 35.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -176.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -52.54 120.3 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt 70.49 85.02 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.2 m -133.07 85.86 44.24 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.52 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 109.33 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.734 2.289 . . . . 0.0 112.372 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -129.25 25.68 5.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.196 0.522 . . . . 0.0 110.36 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -85.94 54.79 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.803 0.811 . . . . 0.0 110.144 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.61 52.05 2.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.513 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.78 77.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.882 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 p -135.29 68.41 68.62 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.953 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.08 -1.34 11.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.697 2.265 . . . . 0.0 112.502 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -111.55 104.57 56.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.545 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 63.1 Cg_endo -73.24 59.45 3.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.858 2.372 . . . . 0.0 113.75 -178.041 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -98.29 61.3 1.43 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 60.06 54.2 4.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.899 0.857 . . . . 0.0 109.638 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 69.49 1.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.288 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -78.46 62.83 3.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.655 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.8 m -106.77 23.4 14.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.537 0.684 . . . . 0.0 109.513 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.545 ' NH1' ' HB3' ' A' ' 44' ' ' PRO . 82.3 mtm180 -93.79 83.22 4.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.964 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -159.77 103.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 110.31 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.433 ' OE1' ' HB3' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -165.96 102.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.89 -31.62 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.191 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.433 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 12.8 tp10 -63.5 -36.85 85.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.5 -176.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -90.79 -22.06 21.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.034 0.445 . . . . 0.0 110.505 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -66.56 -45.24 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.321 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.08 -26.14 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.254 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.1 -39.96 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.591 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -27.56 61.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.024 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.1 mt -75.52 -36.72 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.366 0.603 . . . . 0.0 109.847 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.48 -17.68 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.735 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -117.53 47.1 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 0.0 110.322 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 p -171.7 -62.45 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.287 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -97.42 -1.27 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 48.1 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.399 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.32 -173.47 20.75 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.97 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.43 56.87 3.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.08 0.467 . . . . 0.0 110.561 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -112.21 48.9 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.962 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 62.14 71.44 0.72 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.472 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.55 19.14 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.936 2.424 . . . . 0.0 113.054 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -115.73 -1.95 12.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.765 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -116.67 97.19 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.666 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.05 -148.34 23.16 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.014 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 p -92.59 45.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.298 0.57 . . . . 0.0 110.807 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -145.87 156.37 51.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.21 88.31 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.382 2.054 . . . . 0.0 111.885 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -84.88 76.68 10.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m 58.11 77.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.139 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.74 -17.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 109.672 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.4 mt -85.73 94.62 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.929 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.8 p -81.28 -30.87 33.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.376 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 p -89.33 34.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.486 0.66 . . . . 0.0 110.531 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.14 30.38 1.09 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.49 61.77 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.86 105.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.98 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -134.91 63.12 1.63 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.209 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -130.03 49.32 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.074 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.062 -178.926 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.305 0.098 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 86.0 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.522 0.201 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.612 0.244 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 49.8 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.6 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.708 0.289 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 50.8 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 111.297 0.11 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.448 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 85.7 mm-40 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.596 0.236 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HB3' ' A' ' 5' ' ' ARG . 57.3 tt0 . . . . . 0 C--O 1.23 0.071 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.51 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.486 0.184 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.475 0.178 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.403 ' CZ ' HD11 ' A' ' 9' ' ' LEU . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 5' ' ' ARG . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 79.6 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 92.9 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.701 0.286 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.582 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' NH1' HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.692 0.282 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.487 0.184 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -78.27 -19.1 54.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.192 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.6 mtt -112.77 32.05 5.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt -153.73 84.24 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.895 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.01 -31.73 73.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.124 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 65.5 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 86.0 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.32 -19.87 63.6 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.407 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -117.51 55.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.303 0.573 . . . . 0.0 110.702 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -122.26 43.81 2.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.764 0.792 . . . . 0.0 108.905 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -91.65 82.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.896 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 m -127.97 92.43 42.14 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.646 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.94 74.09 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.066 2.51 . . . . 0.0 112.562 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 p -76.54 86.39 3.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.231 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -133.5 73.26 1.5 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.314 0.578 . . . . 0.0 110.812 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.4 tp -124.86 75.3 1.42 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.24 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.67 97.93 6.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.669 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 p -127.18 72.29 76.68 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.838 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -88.17 49.83 1.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.109 2.539 . . . . 0.0 110.885 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 m -107.59 99.93 31.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.166 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.34 -25.46 42.27 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.299 2.0 . . . . 0.0 111.956 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 t -93.35 72.74 4.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -154.07 134.73 13.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.297 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.71 86.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.597 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -136.92 73.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.261 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -158.02 150.4 22.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 58.49 1.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -164.34 116.27 1.31 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.745 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 2.3 mp0 -71.96 80.74 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 176.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.39 -41.79 19.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.415 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -28.2 67.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.491 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 6.8 p -94.54 -51.51 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.917 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt 67.32 -61.59 0.34 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.942 0.897 . . . . 0.0 111.596 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.1 -34.47 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.013 0.435 . . . . 0.0 110.703 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.2 -26.18 67.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.232 0.539 . . . . 0.0 110.236 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -77.71 -19.81 54.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.796 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.0 mt -92.38 -31.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 110.191 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.47 -33.91 76.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.408 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -127.17 9.31 6.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 110.115 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m 57.74 13.65 2.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.993 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.9 m 51.13 33.14 8.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 110.646 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.78 111.67 23.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.086 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.84 92.37 1.77 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.724 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.17 10.25 8.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.679 0.276 . . . . 0.0 111.527 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.88 -61.55 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 p -148.91 92.96 4.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -53.01 154.27 13.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.743 2.295 . . . . 0.0 111.941 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -74.64 93.33 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -120.9 86.59 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.123 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.3 5.62 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.25 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 p -137.16 61.18 1.63 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -133.77 116.09 13.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.24 89.57 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.618 2.212 . . . . 0.0 111.725 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.34 145.07 36.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.894 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m 55.85 38.98 30.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.296 0.57 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.13 18.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.031 0.919 . . . . 0.0 110.236 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -111.87 121.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.519 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 m 64.4 27.57 13.61 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.512 0.507 . . . . 0.0 110.502 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -169.42 151.98 4.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.82 -66.55 3.54 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.772 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.3 38.48 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 0.0 111.688 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.41 -63.84 1.21 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.722 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -145.84 36.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.441 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m 56.12 51.35 11.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.975 0.893 . . . . 0.0 109.547 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.431 -175.219 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.26 44.46 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.949 0.404 . . . . 0.0 110.884 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -65.65 -38.75 90.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -139.72 -5.48 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.632 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp 70.74 63.54 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.627 -176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.94 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.65 -18.97 0.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.83 62.74 0.47 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.381 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -129.05 57.38 1.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.9 m 60.31 59.4 2.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.608 0.718 . . . . 0.0 110.021 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.73 88.18 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.384 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -108.16 101.66 42.74 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.027 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -53.61 124.05 14.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.461 2.108 . . . . 0.0 111.769 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 t 68.61 57.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.806 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.62 34.84 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.843 0.83 . . . . 0.0 109.544 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.32 65.92 0.88 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.313 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.3 77.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.33 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m 50.59 72.4 1.25 Allowed Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.817 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.5 47.1 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.031 2.487 . . . . 0.0 112.657 -176.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.3 m -111.73 99.44 44.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.239 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 81.03 2.05 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.72 2.28 . . . . 0.0 112.619 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -133.45 68.72 1.49 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 68.42 131.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.745 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . . . 56.98 34.72 25.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.373 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -131.84 87.78 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.704 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 t 63.46 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.063 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -82.62 84.96 7.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.25 0.547 . . . . 0.0 110.058 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 24.1 tpt180 -154.71 69.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.451 0.643 . . . . 0.0 109.612 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 6.3 mm-40 -167.21 73.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.403 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.1 mt -72.79 -29.11 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.071 -172.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.93 -23.71 67.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.516 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 m -116.4 6.45 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.167 0.508 . . . . 0.0 110.342 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 20.8 tp -95.92 -31.69 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.953 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.44 -12.93 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 110.384 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.25 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 11.1 p -84.45 -12.58 54.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.448 . . . . 0.0 111.265 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.73 -19.66 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.417 0.627 . . . . 0.0 110.517 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.61 35.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.901 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 m 49.85 49.69 19.75 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.876 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 p -157.34 -55.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.307 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' HA ' ' A' ' 59' ' ' SER . 60.4 m 55.16 72.45 0.48 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.253 0.346 . . . . 0.0 111.209 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.02 93.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.64 73.38 1.28 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -173.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.11 75.72 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.2 26.14 15.56 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.352 0.596 . . . . 0.0 110.18 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -169.71 124.26 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.704 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.33 148.81 62.16 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.03 1.82 . . . . 0.0 111.536 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -80.73 76.99 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.18 0.514 . . . . 0.0 109.667 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -124.17 73.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.61 -51.75 0.77 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 t 61.22 40.63 14.38 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.124 0.488 . . . . 0.0 110.996 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 48.1 ttp180 -170.26 129.86 0.87 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.592 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 75' ' ' ARG . 14.0 Cg_endo -56.58 125.03 17.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.39 2.06 . . . . 0.0 110.857 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -71.07 84.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.991 -175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.4 m 56.6 51.96 10.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.314 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -109.32 76.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.309 0.576 . . . . 0.0 109.499 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.73 78.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.318 0.58 . . . . 0.0 110.188 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 p -86.78 -28.87 22.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.517 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 p -114.74 35.28 4.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.937 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.79 18.0 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.455 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -110.85 69.4 0.69 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.78 -48.37 7.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.687 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -129.74 36.73 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 m -95.05 -67.99 0.82 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.48 1.029 0 C-N-CA 124.079 0.951 . . . . 0.0 112.855 175.93 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 65.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.134 0.574 . . . . 0.0 111.504 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -96.3 -64.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.525 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -174.84 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.437 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 43.8 tpp -147.1 131.15 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 111.245 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -69.78 -21.41 63.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.175 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 49.8 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 66.78 26.13 9.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.75 -38.57 6.49 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.044 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 43.28 33.87 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.413 1.085 . . . . 0.0 112.614 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.0 t -176.77 116.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.22 72.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.565 0.698 . . . . 0.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -145.51 79.72 11.24 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.288 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.88 133.6 34.31 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.927 2.418 . . . . 0.0 112.059 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 m -83.51 73.59 10.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.605 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -118.77 44.6 2.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 109.317 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.92 72.5 1.41 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.054 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.1 t -98.49 66.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.876 0.846 . . . . 0.0 109.44 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 74.32 4.8 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.556 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 5.1 Cg_endo -85.82 65.99 5.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.002 2.468 . . . . 0.0 112.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -98.39 100.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 1.9 Cg_endo -82.86 52.55 4.07 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.776 2.317 . . . . 0.0 111.623 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t 72.84 143.38 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.592 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -139.08 70.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.339 0.59 . . . . 0.0 109.785 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.6 89.2 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.948 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 61.8 47.44 6.15 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.188 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.9 p -101.35 48.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.999 0.428 . . . . 0.0 110.906 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -117.88 30.42 7.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.693 0.758 . . . . 0.0 109.216 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -165.4 87.75 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.669 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.84 87.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.486 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.9 mt -65.4 -27.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.049 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.04 -22.0 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.398 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -133.06 37.72 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.226 0.536 . . . . 0.0 110.366 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.09 -41.66 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.307 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.0 mm -80.29 -16.48 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 109.564 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.27 -31.26 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.945 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -79.65 -18.36 51.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.451 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.6 mt -87.81 -38.19 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.4 tp -73.14 -26.72 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -84.13 7.57 18.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 110.611 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 p -132.04 15.03 4.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.386 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.2 p -164.26 39.56 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.41 -14.24 38.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.74 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.11 35.72 3.29 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.504 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.04 43.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 110.708 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -95.28 38.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 110.013 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 m -114.87 114.78 43.93 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.104 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.44 127.26 16.98 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.156 1.904 . . . . 0.0 111.599 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.33 82.24 6.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.112 0.482 . . . . 0.0 109.927 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -111.45 97.21 6.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.237 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.05 -76.33 0.4 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.2 t 55.01 45.82 25.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 110.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -165.84 122.34 1.01 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.885 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.58 116.94 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.823 1.682 . . . . 0.0 110.836 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -74.27 73.28 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m 57.89 54.26 6.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.536 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.34 99.91 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.227 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.6 mt 55.46 61.99 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.694 0.759 . . . . 0.0 110.171 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -78.64 0.47 26.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -133.86 42.87 2.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.343 . . . . 0.0 110.794 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.33 -37.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.997 -1.097 . . . . 0.0 113.392 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -83.33 77.26 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.657 0.742 . . . . 0.0 110.506 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.0 97.92 4.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.082 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -130.96 39.05 3.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.784 0.802 . . . . 0.0 109.017 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -148.24 89.76 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.363 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.935 178.491 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.16 36.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 111.49 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 -56.44 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 tpt -164.56 55.55 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.163 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.9 ttm -143.38 33.45 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.401 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -74.05 -32.96 63.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.523 -175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.6 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.7 6.71 3.39 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 35.91 92.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.815 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -81.94 -19.82 39.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.578 0.228 . . . . 0.0 111.46 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -121.83 62.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.368 0.604 . . . . 0.0 111.116 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.36 86.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.828 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 m -141.17 90.16 9.32 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.13 130.63 21.84 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.766 2.311 . . . . 0.0 111.482 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 m -145.86 23.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.224 0.535 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -151.05 81.24 1.32 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 109.911 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.17 36.85 1.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.519 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 p 39.39 58.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.12 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -138.39 78.03 33.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.083 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -90.35 35.13 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.096 2.53 . . . . 0.0 111.836 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -111.28 101.32 50.17 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.84 49.49 2.5 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.952 2.435 . . . . 0.0 112.297 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t 56.86 37.25 28.68 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -161.0 140.12 10.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.77 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.1 69.84 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.748 0.655 . . . . 0.0 110.622 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -84.21 52.46 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.371 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t 63.56 82.4 0.18 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.476 0.485 . . . . 0.0 109.821 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -70.96 -62.11 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 54.61 87.54 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.884 0.74 . . . . 0.0 110.631 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 52' ' ' GLU . 2.5 mm-40 -161.03 81.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.573 0.702 . . . . 0.0 109.829 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 57' ' ' ILE . 70.6 mt -67.54 -26.57 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.047 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.81 -37.3 83.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.372 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -79.1 -28.06 42.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 110.715 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.19 -39.99 68.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 110.213 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 53' ' ' ILE . 50.8 mm -73.08 -29.37 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.99 177.324 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.35 -31.82 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.062 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -63.11 -41.04 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.98 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.91 -26.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 109.965 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.942 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -133.33 40.49 3.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.552 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 15.8 p -143.24 -58.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.712 176.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' ASN . 20.8 p -105.7 45.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.068 0.461 . . . . 0.0 111.217 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . . . -77.57 78.97 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 110.215 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.64 -141.96 13.17 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' ASN . . . -84.62 79.81 9.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.847 0.323 . . . . 0.0 110.204 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 18.1 m120 77.47 -51.37 0.53 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.798 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -124.83 144.73 47.64 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.14 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 63' ' ' SER . 55.2 Cg_endo -84.31 140.73 8.74 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.451 2.101 . . . . 0.0 111.28 175.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.42 62.38 7.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.424 0.631 . . . . 0.0 109.77 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -97.02 73.4 2.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.854 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.51 -45.39 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m 57.95 49.62 11.54 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.377 0.608 . . . . 0.0 110.275 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -160.67 87.88 1.76 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.02 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.2 104.34 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.748 2.299 . . . . 0.0 111.834 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -81.64 53.77 2.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.305 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 p -82.49 72.42 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.655 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.47 70.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.564 0.697 . . . . 0.0 109.315 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.8 80.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.826 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -87.31 2.84 49.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -153.56 95.92 1.96 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.927 0.394 . . . . 0.0 109.993 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.49 34.68 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.623 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.6 49.5 1.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.092 0.473 . . . . 0.0 110.776 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -135.17 161.33 35.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.577 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.4 m -101.67 45.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.178 0.513 . . . . 0.0 110.61 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -102.32 35.56 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.381 0.61 . . . . 0.0 109.905 177.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.23 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.15 45.5 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.9 0.48 . . . . 0.0 111.56 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -86.78 -19.55 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.2 ptp 38.6 53.18 1.86 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.177 0.923 . . . . 0.0 111.832 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG2' ' H ' ' A' ' 2' ' ' GLN . 50.4 ttp -118.32 177.52 4.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.037 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.501 ' H ' ' HG2' ' A' ' 1' ' ' MET . 9.5 tt0 -55.2 -26.71 40.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.219 0.463 . . . . 0.0 111.048 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.44 36.54 2.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.67 71.51 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.556 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -107.54 69.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.512 0.673 . . . . 0.0 109.681 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -150.88 63.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.812 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 pt -127.15 171.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.355 0.598 . . . . 0.0 111.664 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 m -135.83 84.08 33.29 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.224 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.94 121.27 8.72 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.785 2.323 . . . . 0.0 112.304 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -146.85 123.98 11.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.404 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.96 50.09 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.3 tm? 58.95 75.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.719 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -102.45 55.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.172 0.987 . . . . 0.0 108.702 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -159.45 81.62 2.51 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.322 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.54 30.97 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.115 2.543 . . . . 0.0 112.018 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 46' ' ' ARG . 7.0 m -112.25 97.29 38.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.828 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' ' HD3' ' A' ' 46' ' ' ARG . 89.9 Cg_endo -85.5 89.41 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.489 2.126 . . . . 0.0 112.792 176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m 56.67 64.78 1.57 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.5 0.667 . . . . 0.0 111.616 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 66.6 mtp180 -132.52 154.78 49.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.761 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.21 79.27 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.7 p30 -92.02 30.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.017 -175.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -131.19 45.18 2.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.441 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -67.93 -43.32 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.948 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -167.17 -59.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.686 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -168.02 77.92 0.15 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.657 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.34 -24.87 20.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -68.04 -10.81 56.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.123 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.9 m 73.6 40.32 0.51 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.263 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -66.06 -22.07 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.454 0.645 . . . . 0.0 109.649 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.3 mm -67.94 -20.61 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.371 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.79 -41.71 95.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.78 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 p -80.05 -18.71 49.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.191 0.519 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.7 mt -80.45 -36.33 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.992 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.38 -16.61 63.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 p -107.81 16.9 23.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.973 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.8 p -133.64 -30.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.026 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -124.07 53.9 1.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.227 0.536 . . . . 0.0 110.737 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 9.14 9.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.689 0.756 . . . . 0.0 110.137 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.47 157.02 25.32 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.706 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.92 41.85 0.83 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.26 36.06 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.276 0.56 . . . . 0.0 110.513 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB3' ' HD3' ' A' ' 70' ' ' PRO . 22.7 t -168.9 -54.6 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.187 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 68.2 Cg_endo -73.72 83.51 1.55 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.864 1.71 . . . . 0.0 111.619 174.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -113.83 39.47 2.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.578 0.704 . . . . 0.0 110.694 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.6 ttm180 -102.96 29.48 5.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.14 152.97 8.85 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.943 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 t -140.31 97.84 3.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.438 0.619 . . . . 0.0 110.501 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -162.46 136.52 4.88 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 96.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.695 2.263 . . . . 0.0 111.879 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -104.61 30.09 5.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.903 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -143.75 109.38 5.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.37 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.38 82.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.02 0.438 . . . . 0.0 110.562 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 80' ' ' ILE . 32.4 mt 52.69 46.29 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 122.241 1.019 . . . . 0.0 110.303 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -85.89 -11.66 52.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 p -107.47 14.93 25.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 111.187 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.29 48.86 0.49 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.916 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -152.89 63.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.481 0.657 . . . . 0.0 110.1 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.9 mt -137.78 34.55 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 p -105.58 46.64 0.91 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 m -129.28 75.76 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.617 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.522 177.658 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -149.7 86.08 1.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 0.0 110.487 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -101.72 -17.27 16.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.972 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.5 tpp -121.98 36.95 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' ' H ' ' A' ' 4' ' ' ARG . 27.2 ttt 55.58 79.0 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -64.1 -26.01 68.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.321 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' H ' ' HG2' ' A' ' 1' ' ' MET . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.85 45.73 23.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.35 36.4 89.22 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.843 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -93.17 55.55 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.054 0.427 . . . . 0.0 110.562 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.6 m 63.53 75.64 0.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.08 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 35.6 pt -130.49 52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 0.0 110.924 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -114.65 80.75 6.54 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 71.2 Cg_endo -94.04 54.83 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.27 2.646 . . . . 0.0 111.674 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -120.84 38.63 3.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.428 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -141.43 46.8 1.7 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.743 0.782 . . . . 0.0 109.032 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.37 31.33 5.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.02 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t 71.38 105.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.814 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -135.24 83.83 37.48 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.218 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.23 7.18 2.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.119 2.546 . . . . 0.0 113.403 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.2 m -111.38 98.03 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.312 . . . . 0.0 110.218 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -87.8 50.39 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.227 2.618 . . . . 0.0 112.101 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.0 p -78.14 91.44 4.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.227 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.643 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 17.9 tpp180 59.08 71.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.48 18.34 16.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.866 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.42 134.05 15.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.219 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 p 52.06 96.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.665 0.786 . . . . 0.0 112.436 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -116.88 53.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.956 179.406 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -161.28 72.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.066 0.46 . . . . 0.0 110.495 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 3.1 mp0 -154.3 77.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 56' ' ' LEU . 81.6 mt -69.5 -24.11 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.665 0.745 . . . . 0.0 109.857 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.01 -24.77 68.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.669 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 p -122.54 33.65 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.94 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 53' ' ' ILE . 25.8 mt -99.47 -37.3 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.047 175.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.53 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.192 0.52 . . . . 0.0 110.676 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.44 -25.46 66.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -84.18 -37.03 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.684 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' LEU . 84.6 mt -67.14 -27.5 39.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.916 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.3 -22.24 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.944 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -120.81 26.21 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.263 0.554 . . . . 0.0 109.868 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -154.06 58.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.477 0.656 . . . . 0.0 110.044 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -153.67 45.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.39 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.35 4.71 38.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.69 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.94 115.81 3.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.477 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.78 5.85 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.1 0.476 . . . . 0.0 111.134 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -157.31 70.95 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -136.22 141.15 35.06 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.961 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.61 136.11 68.75 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.68 2.253 . . . . 0.0 111.607 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.31 115.03 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.895 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -128.51 80.38 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.597 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.84 37.21 3.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.789 -176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -121.44 54.79 1.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -159.38 129.62 3.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.835 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 129.22 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.974 1.782 . . . . 0.0 110.965 172.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.62 134.81 57.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.999 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -77.59 65.12 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 110.782 -175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.43 -19.69 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.419 0.628 . . . . 0.0 110.171 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -100.07 68.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 0.0 109.496 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 p -87.55 -4.59 58.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.755 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 p -126.34 45.24 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.611 . . . . 0.0 110.065 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -152.38 31.19 0.86 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -133.43 97.69 4.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt 62.6 31.66 16.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.862 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 t -144.14 76.92 1.53 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.559 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -106.02 34.5 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.117 178.522 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 60.24 48.89 7.68 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.847 0.459 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -85.22 -16.69 39.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . 0.46 ' HB3' ' OE1' ' A' ' 2' ' ' GLN . 94.3 mmm 64.66 -175.31 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.343 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -156.65 57.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.335 0.588 . . . . 0.0 110.451 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' OE1' ' HB3' ' A' ' 0' ' ' MET . 1.5 mp0 -80.59 -28.33 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.975 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.32 5.52 5.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.76 8.08 27.8 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.09 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -103.91 52.51 0.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.402 0.62 . . . . 0.0 110.555 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 t -148.46 125.89 11.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.332 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -116.13 78.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.255 0.55 . . . . 0.0 110.039 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 m -118.67 92.43 44.17 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.101 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -61.41 130.07 30.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.708 2.272 . . . . 0.0 111.64 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.65 68.31 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.485 0.66 . . . . 0.0 111.349 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.63 50.8 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.891 175.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.2 tp -149.29 56.85 1.0 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.883 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.9 t 62.06 91.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.061 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -120.17 90.78 45.16 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.285 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.28 58.39 3.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.4 2.733 . . . . 0.0 112.847 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -81.1 111.27 22.64 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.934 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.21 72.23 1.19 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.865 2.377 . . . . 0.0 112.941 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -160.02 103.09 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -173.14 162.36 4.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.63 49.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.389 0.614 . . . . 0.0 110.862 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -158.09 117.96 3.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.839 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.2 m -72.77 84.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 110.588 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 85.33 2.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 2.9 tmm_? 69.88 79.72 0.19 Allowed 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.135 0.897 . . . . 0.0 108.703 -170.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 4.0 mm-40 -164.74 92.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.692 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 83.6 mt -72.97 -14.78 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -178.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.49 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.825 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -104.08 -1.79 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.407 0.623 . . . . 0.0 110.596 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.55 -18.61 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.939 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' ILE . 29.4 mm -88.46 5.91 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.636 0.731 . . . . 0.0 110.001 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.16 -42.68 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.555 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -71.2 -17.56 62.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.008 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.7 mt -92.41 -21.96 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.578 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -81.82 52.68 1.98 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m 51.46 51.46 16.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 p -112.51 6.9 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.065 0.459 . . . . 0.0 110.797 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -157.71 74.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.847 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -100.01 12.97 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.287 0.565 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.77 102.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.74 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.04 30.39 19.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.55 20.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.796 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.5 m -160.66 131.19 3.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.963 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.37 48.05 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.78 2.32 . . . . 0.0 112.389 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -131.13 20.65 4.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.352 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.3 tpm_? -110.75 24.65 12.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.487 0.66 . . . . 0.0 110.074 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.59 82.1 1.66 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.21 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p 48.75 46.79 21.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.343 0.657 . . . . 0.0 111.771 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -140.8 84.1 13.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.77 78.11 3.82 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.224 1.949 . . . . 0.0 110.461 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -73.99 88.19 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.339 -175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.2 m 59.79 52.86 5.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.269 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.49 62.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 109.028 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mt -121.7 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.67 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -26.27 49.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.274 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -72.88 -38.88 66.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.227 0.537 . . . . 0.0 110.383 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.1 -44.55 11.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.732 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 60.33 63.19 1.43 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.432 0.634 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.24 -69.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.908 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -95.52 57.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.361 0.6 . . . . 0.0 110.581 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.5 m -151.37 -70.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.247 0.971 0 O-C-N 123.978 0.799 . . . . 0.0 110.709 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.88 105.46 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.64 0.22 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 t60 68.09 -77.05 0.05 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.994 0.809 . . . . 0.0 110.555 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.6 ttm -151.38 -57.76 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttm -155.24 63.08 0.63 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -72.09 -16.85 62.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.535 -175.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 50.8 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.6 62.38 0.94 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.09 21.67 2.8 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.962 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 54.03 23.83 4.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.125 0.57 . . . . 0.0 111.602 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 t -171.62 138.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.9 mt -102.96 96.2 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.046 0.451 . . . . 0.0 110.138 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -92.53 115.21 64.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.89 106.22 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.659 2.239 . . . . 0.0 111.48 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -91.98 79.46 5.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.512 -171.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 70.46 88.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt 58.19 39.75 25.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.298 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.42 115.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.411 0.624 . . . . 0.0 110.129 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -114.98 102.54 54.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.249 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.5 Cg_exo -58.72 -12.03 13.41 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.075 2.517 . . . . 0.0 113.244 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.8 m -99.56 100.72 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 19.6 Cg_exo -67.44 84.42 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.733 2.288 . . . . 0.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -143.47 57.54 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -137.18 103.58 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.215 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.09 102.88 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.103 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -118.14 52.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.032 0.444 . . . . 0.0 110.663 178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 64.95 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 54.48 52.34 12.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.991 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -79.31 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -69.36 84.2 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.09 -26.1 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.439 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.13 -11.7 50.82 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.65 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -141.79 52.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.38 -54.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.544 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mm -73.69 -11.27 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 0.0 110.56 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.91 -36.82 84.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.757 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 m -83.41 -22.49 32.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.725 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.3 mt -81.02 -26.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.684 0.754 . . . . 0.0 109.482 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.3 tm? -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.167 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m 64.43 28.27 13.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.944 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 m -154.82 63.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.28 0.562 . . . . 0.0 109.799 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -85.11 50.28 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.61 48.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.513 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.91 75.75 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.217 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.81 1.23 20.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.663 0.268 . . . . 0.0 111.606 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.18 -77.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.164 178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -172.99 91.34 0.38 Allowed Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.64 147.38 13.78 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.907 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -79.89 77.53 6.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.252 0.548 . . . . 0.0 110.239 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -129.94 32.25 4.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.889 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.9 -155.57 24.01 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.504 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -86.99 50.65 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.947 0.403 . . . . 0.0 111.183 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.57 81.92 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.142 0.496 . . . . 0.0 111.084 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.16 97.86 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.787 2.325 . . . . 0.0 111.202 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 56.25 51.67 11.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.432 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -162.46 78.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 109.688 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.6 p -82.27 -13.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.753 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.5 mt -95.42 78.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.668 0.747 . . . . 0.0 109.515 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 m -85.13 16.77 3.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.129 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -103.76 19.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 111.075 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.18 -68.83 0.42 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.477 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 53.8 55.03 8.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.275 0.559 . . . . 0.0 111.51 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.62 -40.37 15.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -133.25 19.84 4.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.5 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -90.43 61.68 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.247 0.546 . . . . 0.0 110.431 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.864 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -122.22 126.1 47.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.878 0.371 . . . . 0.0 110.6 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -71.77 -34.43 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.1 ptp -170.29 166.68 8.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.337 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.65 75.14 1.38 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.47 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.297 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.448 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 85.7 mm-40 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 72.02 14.3 5.78 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.92 23.53 35.16 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.886 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -130.83 40.88 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.5 t -161.41 105.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.756 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 mt 54.24 44.76 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 122.214 1.006 . . . . 0.0 109.111 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -117.99 89.79 35.32 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.861 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.83 103.53 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.849 2.366 . . . . 0.0 112.507 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -159.54 41.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.569 0.7 . . . . 0.0 109.694 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -144.98 62.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.0 109.53 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 tp -143.97 69.23 1.28 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.254 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 t -114.83 95.22 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.102 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -139.3 78.52 27.7 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.93 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.56 -8.98 18.79 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.687 2.258 . . . . 0.0 112.139 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 9.7 m -95.89 109.38 46.19 Favored Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 43' ' ' THR . 19.1 Cg_endo -60.39 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.384 2.056 . . . . 0.0 112.243 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 p -93.51 109.68 21.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.47 53.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 109.806 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.6 92.02 2.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.385 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 53.25 61.93 2.91 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.45 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 m -77.44 65.1 2.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.344 0.593 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 59.58 5.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -164.51 114.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.531 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 54.6 mm-40 77.49 85.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.03 0.831 . . . . 0.0 110.891 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.7 mt -70.61 -20.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.14 -19.22 64.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.27 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -120.96 32.31 6.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 109.952 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.0 tp -119.3 -26.41 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.138 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.54 -28.98 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.513 . . . . 0.0 111.017 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.02 -33.57 76.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 m -72.63 -26.27 61.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.98 -31.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.579 0.704 . . . . 0.0 109.547 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.3 tm? -68.27 -27.87 66.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.882 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -108.34 45.28 1.03 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.169 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 p -158.76 -43.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.514 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -130.66 99.77 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.177 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.72 9.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.343 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.66 -39.83 86.94 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.444 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.61 37.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.567 -0.372 . . . . 0.0 111.743 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -74.75 -32.88 62.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -157.17 67.79 4.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.643 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.08 154.26 74.79 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.359 2.039 . . . . 0.0 111.872 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.78 22.44 1.95 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -78.14 92.88 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.815 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.6 104.48 1.98 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.964 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -148.89 62.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.262 0.553 . . . . 0.0 110.208 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.81 130.12 23.47 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.485 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.44 87.36 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.329 2.019 . . . . 0.0 112.085 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -87.36 71.8 9.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 m 54.8 56.41 6.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.584 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 84' ' ' GLU . 25.6 t -72.93 95.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.497 -177.196 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -118.76 82.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m 55.76 34.37 23.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -112.5 35.16 3.94 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.89 59.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.07 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 7.8 tp10 -124.78 83.66 2.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.34 0.591 . . . . 0.0 110.218 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.93 -55.51 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.051 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 p -156.95 42.65 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.696 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 m -89.16 65.22 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.634 0.73 . . . . 0.0 110.681 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.054 178.646 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -80.58 61.17 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.204 0.526 . . . . 0.0 111.304 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -151.32 -59.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtm -105.12 159.77 15.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 50.0 ttm 62.21 46.45 6.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.919 0.866 . . . . 0.0 109.48 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -80.19 -28.2 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.195 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 32' ' ' ARG . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 35' ' ' THR . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.58 5.06 4.03 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.9 0.27 56.36 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER 69.58 -44.68 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 112.934 176.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -151.97 125.29 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.025 -0.422 . . . . 0.0 111.321 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.9 mt 57.34 76.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.747 0.784 . . . . 0.0 110.326 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.409 ' HB ' ' HB1' ' A' ' 29' ' ' ALA . 25.6 m -134.33 97.36 14.77 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.244 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.96 130.56 40.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.662 2.241 . . . . 0.0 112.477 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 m -70.71 86.93 0.67 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 54.98 52.19 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.1 mt -129.48 45.01 2.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.287 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.41 81.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.672 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 p -147.23 66.83 10.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.968 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.44 18.58 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.569 2.179 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -105.72 100.23 26.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.158 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.62 10.1 2.96 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.682 2.255 . . . . 0.0 113.246 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -98.03 122.38 41.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 151.7 36.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.49 70.73 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 54.7 65.13 1.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.378 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -80.08 76.36 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.148 0.499 . . . . 0.0 111.356 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -154.83 16.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.47 0.652 . . . . 0.0 109.343 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD3' ' H ' ' A' ' 52' ' ' GLU . 14.0 tpp180 -76.97 147.81 36.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 28.4 mp0 -70.26 73.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.78 -24.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.398 0.618 . . . . 0.0 109.952 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.62 -9.7 51.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.186 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t 71.05 58.0 0.2 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.787 0.803 . . . . 0.0 109.848 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 56' ' ' LEU . 1.7 tm? -82.66 -33.09 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.896 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.76 -7.13 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -34.21 76.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 110.933 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 p -74.33 -15.76 60.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.69 -33.94 5.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.0 tp -78.91 2.18 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.037 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 p -89.73 -8.11 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 0.0 110.5 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 p -139.0 27.78 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -142.85 101.49 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.589 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.62 69.74 8.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.249 0.547 . . . . 0.0 110.104 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.99 -179.09 48.8 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.431 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.04 85.58 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 64.3 28.82 13.83 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.9 t -162.25 128.62 2.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.521 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.8 178.34 6.6 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.746 2.297 . . . . 0.0 112.253 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -88.09 -54.12 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.977 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 56.65 45.38 22.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.207 0.527 . . . . 0.0 110.461 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.69 59.19 4.03 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.965 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.6 t 57.73 60.78 2.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.181 0.515 . . . . 0.0 110.2 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -137.28 108.55 8.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.114 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.29 71.71 2.31 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.966 2.444 . . . . 0.0 111.92 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.66 80.48 8.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.497 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m 66.38 42.97 2.79 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.189 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.89 82.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.696 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.449 ' HB ' HD21 ' A' ' 85' ' ' LEU . 68.6 mt -122.48 105.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.641 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -75.14 -18.3 60.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.924 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p -145.72 88.86 1.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.614 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.54 -150.51 5.96 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.296 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.51 65.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 110.042 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD21 ' HB ' ' A' ' 80' ' ' ILE . 2.9 mm? -96.57 79.98 3.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.6 p -84.11 72.26 10.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.3 m 74.6 -42.6 0.5 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.562 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.532 -178.489 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -69.71 -20.37 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 111.44 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -64.79 -31.17 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 0.0 110.017 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.4 65.09 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.235 0.54 . . . . 0.0 110.308 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm -142.57 47.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.44 -32.05 66.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.905 -1.043 . . . . 0.0 113.265 -169.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.8 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 49.74 46.8 23.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -89.61 0.52 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.687 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -136.27 74.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.633 0.254 . . . . 0.0 110.78 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m 59.92 71.92 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.275 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt 64.84 82.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.175 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -121.59 95.84 47.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.98 145.1 94.21 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.894 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -138.71 150.54 46.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 66.25 32.28 7.99 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.549 0.69 . . . . 0.0 110.134 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.7 tp -87.23 67.44 9.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.706 0.765 . . . . 0.0 109.159 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -123.58 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.092 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.46 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 9.6 t -139.76 63.06 24.91 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.959 175.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 38.8 Cg_endo -99.06 39.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.73 2.953 . . . . 0.0 112.05 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -102.62 100.85 17.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 -176.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -73.43 76.51 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.984 2.456 . . . . 0.0 112.467 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -157.54 152.7 25.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.327 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.89 151.13 30.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.35 83.89 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 111.158 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -148.08 68.45 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.552 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 t -141.01 136.19 31.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.987 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.8 tmm_? -122.96 26.95 7.9 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 7.3 tmm_? 68.8 122.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.137 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.7 pt-20 49.16 95.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 122.49 1.138 . . . . 0.0 111.718 -173.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.11 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.471 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.74 -17.28 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m 58.15 37.95 26.36 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.966 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 60' ' ' ILE . 50.9 tp -62.48 -58.33 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.966 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 60' ' ' ILE . 49.2 mm -69.9 -32.39 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.365 0.602 . . . . 0.0 109.832 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.21 -33.02 75.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.478 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 t -78.53 -31.6 47.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.034 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -69.66 -30.44 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.846 0.831 . . . . 0.0 109.262 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.19 9.75 29.88 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -128.02 33.09 4.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' SER . 3.1 p -140.65 45.53 1.81 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.199 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 69' ' ' SER . 38.9 t 74.28 137.86 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.675 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.99 67.31 0.93 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.109 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.51 -102.28 0.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.39 41.84 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 110.424 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -146.91 -68.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.772 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 64' ' ' SER . 29.6 p -176.78 127.57 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 C-N-CA 122.441 0.296 . . . . 0.0 110.252 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.37 140.34 30.21 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.055 1.837 . . . . 0.0 110.462 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -59.74 -38.63 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.084 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 4.1 tpm_? 49.66 64.95 1.55 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.803 0.69 . . . . 0.0 111.105 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.98 173.97 15.86 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.394 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -126.85 93.02 3.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.98 0.39 . . . . 0.0 110.174 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -159.42 143.51 10.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.519 177.148 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 75' ' ' ARG . 1.7 Cg_endo -83.73 95.38 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.508 2.138 . . . . 0.0 112.125 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -85.01 74.46 10.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.956 0.408 . . . . 0.0 110.274 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -141.44 98.68 3.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.147 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.92 79.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.9 71.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.11 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -139.42 31.97 2.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.262 0.553 . . . . 0.0 110.218 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -156.35 129.91 8.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.94 44.04 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 65.06 28.3 12.39 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.732 0.413 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.85 136.41 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.38 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 p -114.18 26.79 9.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -149.11 -78.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.245 0.863 0 O-C-N 124.072 0.857 . . . . 0.0 112.21 179.187 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.789 -0.124 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -73.98 6.0 3.76 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -112.61 -2.98 14.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 94.9 mmm -112.68 22.0 15.0 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.957 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp 58.03 59.47 3.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 109.351 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' -3' ' ' GLY . 57.3 tt0 -66.28 -32.97 74.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.211 -169.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.51 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.94 27.72 16.05 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.16 87.53 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.585 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 mmp_? -105.3 39.43 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.849 0.356 . . . . 0.0 111.149 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -135.63 48.86 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.451 0.643 . . . . 0.0 110.368 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.496 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 32.7 mt -116.48 82.64 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.344 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -111.85 90.6 13.39 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.817 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 3.6 Cg_exo -74.28 89.24 1.07 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.68 2.254 . . . . 0.0 111.478 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -91.49 -23.55 19.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.999 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.25 76.0 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.324 0.583 . . . . 0.0 109.881 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -86.47 76.68 9.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.438 0.637 . . . . 0.0 109.659 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.81 86.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.504 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 m -134.97 70.01 70.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.607 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 Cg_exo -80.82 43.43 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.092 2.528 . . . . 0.0 111.947 -178.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -109.36 99.81 38.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.536 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 85.8 Cg_endo -98.91 49.25 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.268 2.646 . . . . 0.0 112.251 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -137.75 87.08 2.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.174 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 60.45 60.95 1.86 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.692 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.14 39.18 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.113 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.74 94.9 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.056 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t 73.19 127.57 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.796 0.685 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -99.37 23.49 9.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.634 0.731 . . . . 0.0 109.647 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 6.1 tmm_? -75.16 105.21 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 33.2 mt-10 -163.35 99.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' ILE . 32.7 mt -90.19 10.35 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.729 0.776 . . . . 0.0 110.443 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.63 -32.17 73.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.53 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 p -154.85 -30.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.18 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.2 tp 66.89 11.22 8.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.53 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 70' ' ' PRO . 39.1 mm -81.9 -0.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.756 0.789 . . . . 0.0 109.494 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.43 -32.49 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.665 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -72.89 -20.25 61.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.357 0.598 . . . . 0.0 109.975 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mp -89.07 -29.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.206 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 78.1 mt -73.91 -23.52 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.055 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -103.74 -9.34 19.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.29 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m 58.1 35.74 25.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -93.31 72.19 4.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.83 18.97 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.582 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.94 -95.37 2.21 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.945 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 52.53 69.39 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.696 0.398 . . . . 0.0 111.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -96.54 4.76 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.54 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 t 61.18 77.73 0.35 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.718 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.432 ' HB3' HD12 ' A' ' 57' ' ' ILE . 63.9 Cg_endo -75.3 52.86 3.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.525 2.15 . . . . 0.0 111.77 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -136.0 42.69 2.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.691 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.63 47.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.778 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.12 40.6 41.93 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.637 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 p -111.19 38.5 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -166.04 87.0 0.91 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.539 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.47 53.73 4.86 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.916 2.411 . . . . 0.0 112.791 -177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 54.4 85.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.008 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 m -91.71 45.92 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.143 0.497 . . . . 0.0 110.535 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -88.62 78.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.468 0.652 . . . . 0.0 109.545 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.4 mt -102.95 88.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.576 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 p -71.77 -25.34 61.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.831 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 t -159.21 81.73 0.77 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.696 0.76 . . . . 0.0 110.756 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.97 -47.81 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.391 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -142.42 59.11 1.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.2 tp -136.2 104.06 5.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.762 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 p -107.06 36.04 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.495 0.665 . . . . 0.0 110.332 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -132.59 105.35 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.01 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 0.976 0 O-C-N 124.388 1.055 . . . . 0.0 111.783 -176.841 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -109.26 35.53 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.482 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.5 m80 66.83 -82.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt 49.24 53.71 12.17 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.122 0.486 . . . . 0.0 112.029 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 56.5 ttm -87.59 69.36 9.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.578 . . . . 0.0 109.717 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -82.91 -43.74 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 13.91 7.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 -42.52 1.37 Allowed Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 43.35 82.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.037 0.935 . . . . 0.0 112.688 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 m 74.34 129.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.062 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.7 mt 60.84 67.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.431 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 m -126.84 82.11 68.13 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.747 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB3' HG21 ' A' ' 40' ' ' VAL . 36.5 Cg_exo -58.93 113.62 1.65 Allowed 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.097 2.532 . . . . 0.0 112.601 -176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 t -146.5 50.58 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.968 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 40' ' ' VAL . 36.8 tt0 -138.6 67.31 1.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.893 -175.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt 52.24 45.38 28.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.503 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 38' ' ' GLU . 61.5 t -85.63 86.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.627 -172.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 t -158.79 84.08 2.49 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.81 -1.087 . . . . 0.0 108.919 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HA ' ' OD1' ' A' ' 48' ' ' ASN . 16.6 Cg_exo -68.95 63.68 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.393 2.729 . . . . 0.0 112.391 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.5 m -102.5 101.49 20.35 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.851 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 22.0 Cg_exo -66.68 74.43 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.916 2.41 . . . . 0.0 112.984 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 t -157.59 53.09 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 72.61 145.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.588 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.99 48.88 4.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.393 0.616 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.533 ' OD1' ' HA ' ' A' ' 42' ' ' PRO . 31.9 t30 -133.69 90.47 2.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.968 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.5 m -97.51 31.13 2.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.368 0.604 . . . . 0.0 110.276 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 1.8 mmp_? -118.21 80.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.921 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -161.11 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.6 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 31.3 mt-10 -164.34 76.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.887 -175.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.1 mt -77.53 -29.5 16.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.465 0.65 . . . . 0.0 109.723 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.82 -43.73 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 13.5 p -80.76 -22.16 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.892 0.377 . . . . 0.0 110.294 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.8 -47.38 78.28 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.62 -34.28 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.861 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.81 -31.68 72.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.583 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.7 m -68.51 -27.19 65.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.236 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.0 mt -79.56 -37.85 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.49 0.662 . . . . 0.0 109.627 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.8 tm? -68.57 -21.93 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.973 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -113.82 17.68 17.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -171.79 108.32 0.24 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.819 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m 60.13 68.16 0.8 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.728 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.25 130.54 52.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.306 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.53 111.69 0.77 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.467 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.52 31.52 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.149 0.5 . . . . 0.0 110.677 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -129.48 21.59 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 53.71 69.83 2.05 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.52 159.33 35.89 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.125 1.883 . . . . 0.0 111.75 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -75.69 90.41 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -78.73 74.75 5.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.296 -174.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.9 73.24 0.26 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.493 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 m -79.33 68.0 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 0.0 110.686 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -134.49 152.29 77.63 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.328 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.1 70.25 6.75 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.236 1.957 . . . . 0.0 111.965 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.43 166.88 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.932 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -147.89 95.96 2.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.15 78.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.6 mt -134.32 123.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.861 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -78.27 52.46 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 110.969 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -145.05 67.97 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.03 -21.53 1.77 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -173.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 55.66 66.8 1.12 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.327 -0.936 . . . . 0.0 111.265 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -36.33 83.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.16 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 87' ' ' THR . 10.9 p -141.37 49.06 1.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.296 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' SER . 38.7 m 73.21 -48.51 0.68 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.209 -167.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.9 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.81 -75.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.423 0.689 . . . . 0.0 112.011 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -114.03 -62.18 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.482 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mmm 50.71 45.31 27.18 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.424 0.631 . . . . 0.0 110.34 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm -166.39 64.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.158 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.84 -25.71 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.933 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' CZ ' HD11 ' A' ' 9' ' ' LEU . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 5' ' ' ARG . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 76.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.526 ' HA ' ' H ' ' A' ' 34' ' ' ILE . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.46 18.47 11.07 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.56 -36.92 3.99 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.144 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 tpm_? -142.06 77.04 1.57 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.131 0.465 . . . . 0.0 112.179 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m 47.55 57.9 5.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.747 171.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 76.5 mt 70.24 94.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.109 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m -104.36 95.23 7.99 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 11.3 Cg_exo -71.51 79.72 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.94 2.427 . . . . 0.0 112.514 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -100.46 84.67 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.29 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 59.91 66.51 0.97 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.473 0.654 . . . . 0.0 110.318 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.53 71.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.601 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t 59.84 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 121.627 0.727 . . . . 0.0 110.982 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 m -147.95 84.87 6.71 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.784 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 2.3 Cg_endo -81.1 51.39 3.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.224 2.616 . . . . 0.0 111.834 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 46' ' ' ARG . 9.1 m -103.15 104.59 41.42 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.648 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -74.27 83.76 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.7 m 57.75 26.86 13.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.891 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' H ' HG22 ' A' ' 43' ' ' THR . 16.8 tpp180 59.09 18.43 6.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.44 91.88 8.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.493 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 54.13 68.34 0.87 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.429 0.633 . . . . 0.0 110.562 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -143.6 75.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.181 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 56.5 40.52 29.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.736 0.779 . . . . 0.0 109.781 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 6.8 tmm_? -76.2 97.41 4.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.654 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.536 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.2 pt-20 49.51 97.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.678 1.191 . . . . 0.0 113.162 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.3 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.804 172.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.82 -21.65 66.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.351 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -135.89 41.68 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.151 0.5 . . . . 0.0 110.003 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.14 -41.11 2.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.7 mm -85.84 -28.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.605 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -63.36 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.599 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -71.13 -35.89 71.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.687 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.79 -33.66 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 53.3 tp -75.98 -11.61 59.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.727 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 t -108.43 16.98 22.6 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.466 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 15.5 p -140.88 -54.32 0.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.366 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.6 p -161.42 74.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.869 -175.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . . . -142.13 65.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 0.0 110.912 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.52 171.21 35.26 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.615 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.29 -8.02 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.824 0.345 . . . . 0.0 111.348 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -136.44 62.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 p -115.94 87.69 19.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.143 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -89.89 -169.83 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.818 2.345 . . . . 0.0 111.275 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -65.3 -51.75 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CD ' ' H ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -97.06 133.37 41.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.395 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.65 -119.01 0.82 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.616 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m -109.21 57.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.335 0.588 . . . . 0.0 110.397 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 63' ' ' SER . 63.7 ttt180 -147.4 122.9 5.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.348 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.02 83.42 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.024 1.816 . . . . 0.0 110.893 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -57.63 112.53 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.874 179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 t 64.58 89.3 0.09 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.927 0.767 . . . . 0.0 109.349 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.2 t -77.97 72.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mt -116.79 70.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.404 0.621 . . . . 0.0 109.723 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m 56.55 27.85 12.99 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.121 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -101.71 -79.18 0.52 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.406 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.84 22.02 16.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.583 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.97 82.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.454 0.645 . . . . 0.0 109.533 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.52 42.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.283 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.9 p -145.56 29.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.344 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.0 m -123.09 -56.73 1.73 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.602 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.948 -0.548 . . . . 0.0 110.734 178.625 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -138.44 38.62 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -76.89 -31.22 56.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm -98.1 177.7 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 41.8 ttp -135.79 30.98 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.46 -31.16 72.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.672 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 79.6 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 159.47 -49.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.89 77.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 61.2 mmt-85 -122.78 39.08 4.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.297 0.57 . . . . 0.0 111.134 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 p -114.41 50.73 0.93 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.3 mt -91.38 119.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.959 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -60.89 112.18 5.3 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.401 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 107.06 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.387 2.058 . . . . 0.0 111.846 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -99.93 130.62 46.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.262 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 61.62 53.83 3.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.892 0.853 . . . . 0.0 109.437 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -91.04 48.35 1.51 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.57 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.61 83.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.883 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 m -152.28 76.45 7.01 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.413 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -88.75 33.5 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.256 2.638 . . . . 0.0 112.304 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -111.79 100.01 47.05 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.846 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.89 108.27 2.07 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.57 2.18 . . . . 0.0 111.612 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 t -128.35 115.8 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.737 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -166.12 -37.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.129 0.49 . . . . 0.0 110.334 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.33 74.18 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.255 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -103.31 37.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.388 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m 61.62 77.69 0.32 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 110.144 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.64 108.74 12.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.557 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 12.2 tpp180 -77.79 63.9 2.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.269 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 16.8 mm-40 -167.49 104.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 57' ' ' ILE . 92.2 mt -55.9 -33.79 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.976 -169.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -65.35 -34.82 79.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.982 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 p -104.3 -14.65 15.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.926 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.4 -42.95 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.701 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 53' ' ' ILE . 47.3 mm -68.02 -30.34 47.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.91 -37.41 81.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.966 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 p -73.38 -25.1 60.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 0.0 110.802 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -78.95 -31.58 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 173.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 43.0 tp -66.82 -12.54 59.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.006 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -118.97 18.89 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.508 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 p -147.53 -36.25 0.22 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -137.79 23.71 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.787 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 61' ' ' LEU . . . -112.34 125.37 54.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.452 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.38 -61.95 0.65 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.02 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.34 31.42 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 56.08 45.15 24.11 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.502 179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m 59.67 81.26 0.25 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.149 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.09 141.42 93.91 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.566 2.178 . . . . 0.0 112.313 -173.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -82.66 67.24 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.557 0.694 . . . . 0.0 110.079 -176.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -84.56 64.58 8.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.263 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.0 94.77 1.19 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.145 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.1 m -82.29 66.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.219 0.533 . . . . 0.0 109.866 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -168.04 92.61 0.64 Allowed Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.41 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.82 95.45 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.279 1.986 . . . . 0.0 112.309 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.34 81.32 7.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.407 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m 58.95 61.53 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.227 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.05 75.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.9 mt -115.79 102.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.71 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 p -87.05 -48.58 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 p -139.72 39.82 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.238 0.542 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.11 -52.75 4.4 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.42 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 55.65 34.81 24.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.251 0.548 . . . . 0.0 110.955 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.98 2.2 11.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -157.79 39.28 0.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.615 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -129.58 85.65 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.441 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.025 178.463 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -89.43 109.5 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.398 . . . . 0.0 110.657 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.52 -69.54 0.75 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 56.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.5 -171.56 2.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.654 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -50.4 -39.33 46.7 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.72 0.637 . . . . 0.0 112.355 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 92.9 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 27.39 4.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.74 64.97 0.13 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.386 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.93 -16.77 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 p -125.4 96.52 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.251 0.548 . . . . 0.0 110.789 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.27 85.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 m -120.39 93.52 48.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.82 107.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.882 2.388 . . . . 0.0 112.262 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.2 t -161.58 136.92 7.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.54 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -121.43 46.32 2.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.811 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.0 55.69 1.11 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.77 75.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.4 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 t -165.6 91.2 0.89 Allowed Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.318 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -92.33 34.65 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.034 2.489 . . . . 0.0 111.177 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -111.53 107.11 56.93 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.041 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -72.1 71.76 2.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.065 1.843 . . . . 0.0 111.091 172.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -57.07 102.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.229 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 61.33 78.58 0.28 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.901 0.751 . . . . 0.0 110.677 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 77.21 5.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.283 0.563 . . . . 0.0 110.607 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -115.47 151.16 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.632 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m 59.43 72.26 0.54 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.347 0.594 . . . . 0.0 110.219 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 4.5 mmp_? -124.69 85.57 2.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.888 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.15 37.98 23.83 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 61.58 81.33 0.2 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.507 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 56' ' ' LEU . 92.2 mt -62.5 -25.74 38.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.543 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.94 -10.8 53.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 p -131.4 25.4 4.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.622 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 53' ' ' ILE . 54.4 mt -94.33 -34.96 12.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.51 -18.9 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 111.314 -172.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HB3' ' OG ' ' A' ' 64' ' ' SER . 14.2 m-20 -64.54 -33.7 76.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.207 0.527 . . . . 0.0 111.406 -176.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -77.29 -27.2 52.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.318 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.26 -25.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.29 -6.1 57.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.796 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.3 m 66.53 12.48 8.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.905 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 p -86.46 -37.77 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 58' ' ' ASP . 12.1 m -105.29 50.53 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.726 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.75 113.77 5.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.574 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.82 133.01 1.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.149 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.69 36.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.279 0.561 . . . . 0.0 110.518 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.19 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.589 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 p -161.46 80.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.19 165.81 31.04 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.116 1.878 . . . . 0.0 111.038 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -82.19 55.34 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.5 0.667 . . . . 0.0 110.479 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.368 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.73 82.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.004 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -151.88 73.05 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 41.5 ttp180 -167.68 135.68 1.95 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.219 -174.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 75' ' ' ARG . 18.0 Cg_exo -67.08 94.66 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.432 2.088 . . . . 0.0 111.258 174.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -116.84 82.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.615 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 m 60.92 37.28 18.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.151 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.37 58.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.858 0.837 . . . . 0.0 109.019 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.59 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.869 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 m -78.85 -21.51 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.868 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 t -175.35 169.5 3.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.81 -26.06 9.7 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.303 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -150.1 83.28 1.38 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.114 0.483 . . . . 0.0 109.783 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -149.51 65.59 1.01 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.188 178.307 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -135.17 49.33 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.2 m 71.91 88.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.942 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.793 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -79.84 99.94 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 24.9 m80 -85.87 -18.81 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 85.9 mtp -115.02 -56.15 2.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt 55.58 76.92 0.25 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.42 0.629 . . . . 0.0 110.101 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.33 -22.65 67.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.819 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.582 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.25 32.25 20.0 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.56 25.96 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.646 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -112.61 45.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.377 0.608 . . . . 0.0 110.132 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -159.58 91.29 0.98 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.847 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -124.06 80.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.051 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -130.59 78.35 74.17 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.324 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 79.31 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.952 2.435 . . . . 0.0 112.048 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m 58.08 64.15 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.244 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -126.59 70.4 1.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.757 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 79.2 mt -146.63 131.42 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.809 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' VAL . 7.1 p -67.52 96.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.621 0.724 . . . . 0.0 111.052 177.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m 57.38 70.41 1.35 Allowed Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.641 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 94.9 Cg_endo -81.27 26.57 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.668 2.246 . . . . 0.0 111.813 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -101.44 115.93 64.35 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.451 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.02 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 112.192 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -80.28 75.68 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -150.24 156.93 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 59.53 40.91 19.89 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.422 0.629 . . . . 0.0 110.898 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -118.16 44.19 2.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.423 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m -149.23 93.62 2.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -97.86 77.43 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 110.485 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -77.24 117.08 18.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.522 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -170.02 130.47 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.306 0.574 . . . . 0.0 111.097 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -93.08 -5.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.872 0.844 . . . . 0.0 109.323 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.31 -20.92 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.096 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 p -116.0 28.92 8.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.323 0.582 . . . . 0.0 110.387 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 33.6 tp -130.0 -3.13 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.672 -177.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -90.45 -36.53 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -174.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -67.18 -26.69 66.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 111.175 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 p -72.48 -30.86 64.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.275 0.559 . . . . 0.0 110.433 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.13 -33.4 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.697 0.761 . . . . 0.0 109.37 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.2 tm? -66.6 -28.67 68.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.33 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.2 p -96.6 20.83 10.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.432 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -145.24 -41.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -131.1 76.54 1.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.35 0.595 . . . . 0.0 110.609 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.19 22.72 12.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.785 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.38 -35.18 77.93 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.558 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.52 7.32 30.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -142.08 34.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.455 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 p -153.34 82.14 4.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.47 151.37 70.72 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.186 1.924 . . . . 0.0 111.365 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.36 83.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 0.0 110.287 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -109.94 85.12 2.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.162 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.31 -152.11 7.27 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.903 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 m -84.16 47.81 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.122 0.487 . . . . 0.0 110.828 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -144.68 121.73 6.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.55 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.43 130.82 35.34 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.587 2.192 . . . . 0.0 111.875 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -77.55 67.11 3.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.732 176.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.7 m 62.18 64.46 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.138 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.77 89.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.033 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -116.78 85.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -27.94 67.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.839 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -113.76 45.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.791 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.79 43.8 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.231 179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -139.35 75.36 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.602 0.715 . . . . 0.0 110.56 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mp -100.87 -37.23 8.76 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -158.56 57.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.362 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 m 57.4 68.65 0.82 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.751 0.786 . . . . 0.0 109.996 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.324 -175.066 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.34 -79.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.268 0.627 . . . . 0.0 111.226 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -151.5 17.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.355 0.598 . . . . 0.0 109.407 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.8 mtm -133.13 143.09 49.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.557 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 42.5 ttp -88.8 66.25 7.94 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 178.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.97 -41.37 36.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.343 -171.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 77.1 -26.2 0.19 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.53 46.62 1.14 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -127.14 61.57 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.328 0.585 . . . . 0.0 109.717 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 p -157.56 75.81 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.718 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt 60.08 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.945 0.879 . . . . 0.0 108.893 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -121.57 98.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.609 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.6 107.73 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.589 2.192 . . . . 0.0 111.784 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 m -134.41 61.22 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.058 0.456 . . . . 0.0 110.49 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.35 40.43 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.027 0.918 . . . . 0.0 109.173 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.59 42.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.953 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 64.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.785 0.802 . . . . 0.0 109.82 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 20.7 m -140.18 64.91 27.36 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.87 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.504 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 10.0 Cg_endo -91.25 53.28 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.34 2.693 . . . . 0.0 111.423 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -107.6 97.18 18.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.293 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 98.9 Cg_endo -102.65 27.46 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.367 2.711 . . . . 0.0 112.646 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 m -100.53 42.92 1.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.756 0.312 . . . . 0.0 111.113 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 66.8 114.06 0.03 OUTLIER 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.197 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 59.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.623 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -92.28 39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.532 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 t -137.66 110.7 7.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 62.16 34.41 16.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.519 0.676 . . . . 0.0 110.056 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.69 92.81 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -171.08 110.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.79 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.8 mt -85.95 -31.65 6.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.072 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.88 -43.46 83.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.61 26.1 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.327 0.584 . . . . 0.0 110.858 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.18 -6.23 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.24 -31.61 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.51 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.7 -44.36 93.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.237 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -71.07 -28.23 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.773 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.77 -35.35 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.1 tp -88.71 8.52 28.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m 55.79 37.77 29.26 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.329 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.8 m 60.15 67.91 0.82 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.154 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m 62.86 46.62 4.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.771 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.89 77.13 9.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 110.047 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.02 -156.34 32.34 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.205 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.62 54.46 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.035 0.445 . . . . 0.0 110.754 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -85.37 -69.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.37 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -167.81 153.0 6.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.87 75.46 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.653 2.235 . . . . 0.0 111.329 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -128.67 85.61 2.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.97 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -133.39 60.44 1.7 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.63 43.36 3.24 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.59 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 p -89.56 36.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.959 0.409 . . . . 0.0 111.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -149.85 131.3 7.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.85 113.77 2.31 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.574 2.182 . . . . 0.0 111.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -77.98 77.19 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.359 178.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.6 m 57.94 56.33 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.864 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -95.53 73.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.596 0.712 . . . . 0.0 109.808 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.3 mt -107.61 111.36 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.986 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -80.18 -20.32 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.61 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -168.38 160.87 11.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 110.21 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.22 -59.56 0.42 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -128.78 42.77 3.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.33 -14.52 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.953 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 p -114.2 32.61 5.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.424 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -93.72 65.17 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.033 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.955 -178.433 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.68 33.58 23.42 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.013 0.525 . . . . 0.0 112.135 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -140.32 -70.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.989 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mtp 59.41 79.14 0.24 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.282 0.563 . . . . 0.0 110.625 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt -80.0 94.59 5.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.88 -37.05 80.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.205 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 78.18 -22.8 0.27 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 28.18 11.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 46.96 42.76 12.85 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.783 0.833 . . . . 0.0 111.895 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m 63.07 61.16 1.13 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.164 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt 62.76 78.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.817 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -155.57 100.01 2.24 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.551 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.59 118.2 5.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.38 2.053 . . . . 0.0 111.55 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -80.59 60.45 3.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.283 0.564 . . . . 0.0 111.459 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -133.27 67.97 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.13 71.04 1.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.011 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.69 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.947 0.879 . . . . 0.0 109.433 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -156.35 78.54 4.13 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.892 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.29 38.78 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.405 2.737 . . . . 0.0 112.152 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 m -99.04 107.3 43.26 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.128 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.66 92.95 0.51 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.254 1.969 . . . . 0.0 111.682 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -75.2 106.69 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -115.96 141.73 47.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.17 57.37 2.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.321 0.581 . . . . 0.0 110.412 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -114.14 110.15 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -155.45 55.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.601 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.3 tmm_? -94.52 -13.45 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.388 0.613 . . . . 0.0 109.478 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -70.16 136.92 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.202 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -163.86 112.98 1.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.139 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.94 -10.35 11.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.59 0.709 . . . . 0.0 110.165 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.46 -8.84 36.6 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.558 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.4 m 75.31 27.33 1.09 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.901 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.11 -36.32 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.679 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -83.29 -17.93 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.17 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.262 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 m -71.36 -29.45 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.7 mt -74.97 -35.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 121.479 0.657 . . . . 0.0 109.354 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.6 tm? -67.81 -23.41 65.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.209 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -94.35 2.6 55.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.569 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m 61.59 16.26 7.53 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.041 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -129.15 51.61 2.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.56 90.03 7.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.909 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.96 138.77 8.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.917 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.73 55.58 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.53 61.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.5 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 62.06 72.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.137 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.87 147.28 61.82 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.238 1.958 . . . . 0.0 111.275 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -72.03 86.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.057 0.456 . . . . 0.0 110.448 -176.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -139.39 47.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.96 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.8 -90.54 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.759 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 t 60.43 50.64 5.83 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.121 0.486 . . . . 0.0 110.562 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -140.22 118.19 8.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.957 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.89 105.0 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.278 1.985 . . . . 0.0 111.329 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -82.75 78.5 9.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.316 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -145.34 53.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.705 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 t -81.94 64.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.636 0.731 . . . . 0.0 110.096 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mt -106.18 69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -168.34 -74.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.708 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 p -97.92 57.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 0.0 111.191 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.2 26.36 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.943 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -174.11 90.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 26.5 tp -129.29 8.84 5.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.3 m 63.97 10.44 5.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.126 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.0 m -161.03 78.13 0.58 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.76 -174.355 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -141.88 98.95 3.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.609 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -78.38 -34.5 48.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm -112.56 -169.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.677 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.7 ttp 60.88 42.38 13.14 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.91 0.862 . . . . 0.0 110.062 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -70.91 -30.02 66.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.085 -175.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.43 38.23 0.41 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 137.75 -73.36 0.43 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.961 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -92.85 123.13 35.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -176.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -52.54 120.3 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt 70.49 85.02 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.2 m -133.07 85.86 44.24 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.52 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 109.33 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.734 2.289 . . . . 0.0 112.372 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -129.25 25.68 5.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.196 0.522 . . . . 0.0 110.36 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -85.94 54.79 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.803 0.811 . . . . 0.0 110.144 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.61 52.05 2.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.513 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.78 77.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.882 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 p -135.29 68.41 68.62 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.953 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.08 -1.34 11.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.697 2.265 . . . . 0.0 112.502 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -111.55 104.57 56.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.566 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 63.1 Cg_endo -73.24 59.45 3.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.858 2.372 . . . . 0.0 113.75 -178.041 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -98.29 61.3 1.43 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 60.06 54.2 4.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.899 0.857 . . . . 0.0 109.638 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 69.49 1.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.288 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -78.46 62.83 3.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.655 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.8 m -106.77 23.4 14.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.537 0.684 . . . . 0.0 109.513 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' NH1' ' HB3' ' A' ' 44' ' ' PRO . 82.3 mtm180 -93.79 83.22 4.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.964 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -159.77 103.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 110.31 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -165.96 102.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.89 -31.62 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.191 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 12.8 tp10 -63.5 -36.85 85.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.5 -176.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -90.79 -22.06 21.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.034 0.445 . . . . 0.0 110.505 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -66.56 -45.24 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.321 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.08 -26.14 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.254 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.1 -39.96 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.591 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -27.56 61.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.024 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.1 mt -75.52 -36.72 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.366 0.603 . . . . 0.0 109.847 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.48 -17.68 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.735 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -117.53 47.1 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 0.0 110.322 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 p -171.7 -62.45 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.287 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -97.42 -1.27 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 48.1 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.399 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.32 -173.47 20.75 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.97 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.43 56.87 3.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.08 0.467 . . . . 0.0 110.561 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -112.21 48.9 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.962 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 62.14 71.44 0.72 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.472 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.55 19.14 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.936 2.424 . . . . 0.0 113.054 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -115.73 -1.95 12.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.765 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -116.67 97.19 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.666 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.05 -148.34 23.16 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.014 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 p -92.59 45.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.298 0.57 . . . . 0.0 110.807 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -145.87 156.37 51.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.21 88.31 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.382 2.054 . . . . 0.0 111.885 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -84.88 76.68 10.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m 58.11 77.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.139 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.74 -17.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 109.672 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.4 mt -85.73 94.62 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.929 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.8 p -81.28 -30.87 33.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.376 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 p -89.33 34.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.486 0.66 . . . . 0.0 110.531 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.14 30.38 1.09 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.49 61.77 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.86 105.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.98 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -134.91 63.12 1.63 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.209 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -130.03 49.32 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.074 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.062 -178.926 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.305 0.098 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.4 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.522 0.201 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 . . . . . 0 N--CA 1.464 0.26 0 CA-C-O 120.612 0.244 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 43.5 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HA ' HE21 ' A' ' 2' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.701 0.286 . . . . 0.0 110.523 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 10.5 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.466 0.365 0 CA-C-O 120.907 0.384 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.925 0.393 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 CA--C 1.521 -0.163 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.708 0.289 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 44.9 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 . . . . . 0 C--O 1.225 -0.214 0 N-CA-C 111.297 0.11 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.448 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 17.0 mm100 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.596 0.236 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.468 0.453 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 27' ' ' GLN . 1.1 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.428 ' HA ' ' HB3' ' A' ' 5' ' ' ARG . 57.3 tt0 . . . . . 0 C--O 1.23 0.071 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.51 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 27' ' ' GLN . 6.3 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.486 0.184 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 . . . . . 0 N--CA 1.461 0.075 0 CA-C-O 120.475 0.178 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.403 ' CZ ' HD11 ' A' ' 9' ' ' LEU . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 5' ' ' ARG . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.863 0.363 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 29.4 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 N--CA 1.469 0.475 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.701 0.286 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.582 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 . . . . . 0 C--O 1.235 0.301 0 CA-C-O 120.748 0.309 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.515 ' NH1' HD11 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.576 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 . . . . . 0 N--CA 1.462 0.166 0 CA-C-O 120.692 0.282 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.575 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . . . . . . 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.487 0.184 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.709 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -78.27 -19.1 54.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.859 0.361 . . . . 0.0 111.192 -178.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -61.55 -37.83 85.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.648 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 64.6 mtt -112.77 32.05 5.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.96 0.41 . . . . 0.0 110.663 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt -153.73 84.24 1.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.895 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -65.01 -31.73 73.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.124 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -53.11 -46.22 68.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.207 0.527 . . . . 0.0 110.779 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 51.6 ttt180 -76.33 -40.16 52.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.585 178.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.427 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 6.0 tmm_? -63.91 -39.35 93.97 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-O 120.894 0.378 . . . . 0.0 110.826 -174.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -67.01 -37.22 83.79 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.985 -173.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -69.71 -35.04 74.71 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-O 121.071 0.462 . . . . 0.0 110.206 175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 74.7 mt -63.74 -32.08 73.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.332 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.427 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 69.8 mt -70.78 -37.17 73.31 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.936 0.398 . . . . 0.0 111.018 172.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.6 -48.73 79.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.374 0.607 . . . . 0.0 110.331 173.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -70.66 -18.76 62.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.913 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 0.7 OUTLIER -54.66 -31.76 58.15 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.712 177.524 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.83 -42.49 94.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.205 0.526 . . . . 0.0 110.717 176.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 26.3 mtp180 -63.51 -36.8 84.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.574 174.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.44 -37.27 82.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.795 179.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.7 -36.64 83.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.351 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 9.3 tp10 -59.41 -46.68 88.02 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.227 173.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.4 mt -59.6 -43.23 90.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 175.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -61.05 -37.21 81.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.341 . . . . 0.0 110.524 177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 1.2 tpm_? -60.22 -29.1 68.52 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.877 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -61.16 -38.4 86.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.775 179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.61 -45.33 92.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.233 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.16 -31.82 68.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.096 0.474 . . . . 0.0 110.273 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.5 tp -65.97 -48.68 70.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.749 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.525 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 42.1 ttp180 -62.84 -20.78 65.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.195 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -56.99 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.092 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -69.38 -23.84 63.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.012 0.434 . . . . 0.0 111.338 176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.525 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 25.4 mt-30 -78.69 -61.66 1.94 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.625 -178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.72 -52.98 6.92 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.948 0.404 . . . . 0.0 111.736 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.51 -16.39 56.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.238 0.542 . . . . 0.0 110.686 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.32 -19.87 63.6 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.407 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.5 mmm180 -117.51 55.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.303 0.573 . . . . 0.0 110.702 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.7 m -122.26 43.81 2.78 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.764 0.792 . . . . 0.0 108.905 174.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 60.0 mt -91.65 82.38 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 114.712 -1.131 . . . . 0.0 109.896 -174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.5 m -127.97 92.43 42.14 Favored Pre-proline 0 C--N 1.315 -0.927 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.646 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -67.94 74.09 0.7 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.066 2.51 . . . . 0.0 112.562 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 p -76.54 86.39 3.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.231 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -133.5 73.26 1.5 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.314 0.578 . . . . 0.0 110.812 -175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 41.4 tp -124.86 75.3 1.42 Allowed 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.24 174.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.0 t -113.67 97.93 6.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.669 -176.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.9 p -127.18 72.29 76.68 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.838 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -88.17 49.83 1.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.787 0 C-N-CA 123.109 2.539 . . . . 0.0 110.885 176.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.1 m -107.59 99.93 31.72 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.166 -174.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.34 -25.46 42.27 Favored 'Trans proline' 0 C--N 1.348 0.545 0 C-N-CA 122.299 2.0 . . . . 0.0 111.956 177.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 16.6 t -93.35 72.74 4.5 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -154.07 134.73 13.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.297 -178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.71 86.28 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.597 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -136.92 73.78 1.46 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.261 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 t -158.02 150.4 22.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.239 -176.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 58.49 1.43 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 175.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -164.34 116.27 1.31 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.745 -174.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.491 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 2.3 mp0 -71.96 80.74 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.517 176.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.39 -41.79 19.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.415 -176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -67.69 -28.2 67.48 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.005 -175.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.491 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 6.8 p -94.54 -51.51 4.72 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.917 -178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.5 tt 67.32 -61.59 0.34 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.942 0.897 . . . . 0.0 111.596 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.1 -34.47 63.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.013 0.435 . . . . 0.0 110.703 -175.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -66.2 -26.18 67.27 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.232 0.539 . . . . 0.0 110.236 178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -77.71 -19.81 54.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.796 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.0 mt -92.38 -31.21 4.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.346 0.593 . . . . 0.0 110.191 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.9 tp -63.47 -33.91 76.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.408 -176.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.8 t -127.17 9.31 6.73 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.973 0.416 . . . . 0.0 110.115 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.2 m 57.74 13.65 2.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.993 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 73.9 m 51.13 33.14 8.82 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.269 0.557 . . . . 0.0 110.646 -173.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -110.78 111.67 23.01 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.086 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 115.84 92.37 1.77 Allowed Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.549 -0.834 . . . . 0.0 111.724 -177.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.17 10.25 8.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.679 0.276 . . . . 0.0 111.527 -177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -99.88 -61.55 1.35 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.5 p -148.91 92.96 4.28 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_exo -53.01 154.27 13.68 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.743 2.295 . . . . 0.0 111.941 175.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -74.64 93.33 2.53 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -178.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -120.9 86.59 2.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.123 -176.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.84 152.3 5.62 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.25 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.3 p -137.16 61.18 1.63 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.218 0.532 . . . . 0.0 110.309 177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -133.77 116.09 13.57 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.488 -177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -65.24 89.57 0.2 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.618 2.212 . . . . 0.0 111.725 174.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -109.34 145.07 36.65 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.894 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.0 m 55.85 38.98 30.67 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.296 0.57 . . . . 0.0 110.869 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 9.9 p -155.13 18.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 122.031 0.919 . . . . 0.0 110.236 -176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 78.3 mt -111.87 121.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.519 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.5 m 64.4 27.57 13.61 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.512 0.507 . . . . 0.0 110.502 -177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.2 t -169.42 151.98 4.67 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.82 -66.55 3.54 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.772 178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -85.3 38.48 0.73 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.162 0.506 . . . . 0.0 111.688 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -123.41 -63.84 1.21 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.722 175.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -145.84 36.65 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.441 179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.4 m 56.12 51.35 11.99 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.975 0.893 . . . . 0.0 109.547 -174.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.431 -175.219 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -144.26 44.46 1.43 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.949 0.404 . . . . 0.0 110.884 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -65.65 -38.75 90.22 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 2.1 tmt? -139.72 -5.48 1.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.632 175.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.1 tpp 70.74 63.54 0.19 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.627 -176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.11 -30.42 71.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.94 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.25 81.15 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.212 0.53 . . . . 0.0 110.532 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -70.99 -42.85 69.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.76 177.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -55.79 -30.65 61.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.335 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -73.17 -32.23 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 O-C-N 121.642 -0.661 . . . . 0.0 109.66 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.49 -28.0 63.62 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.4 mt -70.51 -34.58 72.47 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.2 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.493 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 77.4 mt -68.83 -28.35 66.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.152 0.501 . . . . 0.0 110.34 173.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.27 -45.15 73.91 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 173.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -68.71 -18.19 64.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.291 177.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.493 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 3.7 tppp? -56.66 -20.88 23.7 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.971 0.415 . . . . 0.0 110.937 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.75 -19.61 28.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.637 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -58.3 -40.32 81.67 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.85 0.357 . . . . 0.0 110.766 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -76.65 -34.19 58.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.372 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.83 -37.46 86.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.159 0.504 . . . . 0.0 110.15 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -60.24 -52.64 64.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.285 174.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.588 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 96.7 mt -59.22 -44.81 92.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.03 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -63.13 -45.79 90.28 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.102 179.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 ttp-105 -65.16 -43.21 92.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.161 -178.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.1 pp0? -64.36 -31.48 72.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.824 0.345 . . . . 0.0 110.236 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.9 tpp180 -64.91 -48.52 73.87 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 172.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mm-40 -58.53 -30.37 67.02 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.444 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -46.08 60.03 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.4 tpp180 -63.51 -28.21 69.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.99 175.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.65 71.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.431 0.634 . . . . 0.0 109.988 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.08 -57.6 4.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.454 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -57.55 -60.55 3.5 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.31 0.856 . . . . 0.0 113.31 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.28 -43.71 66.64 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.635 0.255 . . . . 0.0 111.216 -174.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 71.65 -18.97 0.28 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.771 175.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.83 62.74 0.47 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.974 -0.631 . . . . 0.0 112.381 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -129.05 57.38 1.64 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.9 m 60.31 59.4 2.31 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.608 0.718 . . . . 0.0 110.021 -176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.73 88.18 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.384 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.3 m -108.16 101.66 42.74 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.027 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_exo -53.61 124.05 14.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.461 2.108 . . . . 0.0 111.769 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.4 t 68.61 57.47 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.806 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -111.62 34.84 3.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.843 0.83 . . . . 0.0 109.544 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 40.8 tp -121.32 65.92 0.88 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.313 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.0 t -112.3 77.69 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.33 -176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m 50.59 72.4 1.25 Allowed Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.817 178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.5 47.1 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.368 0 C-N-CA 123.031 2.487 . . . . 0.0 112.657 -176.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.3 m -111.73 99.44 44.98 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.239 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.12 81.03 2.05 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.72 2.28 . . . . 0.0 112.619 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.8 p -133.45 68.72 1.49 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.873 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 68.42 131.95 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.745 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.403 ' HA ' ' CZ ' ' A' ' 50' ' ' ARG . . . 56.98 34.72 25.37 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.373 178.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -131.84 87.78 2.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.704 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.6 t 63.46 76.79 0.35 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.063 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 47' ' ' ALA . 0.8 OUTLIER -82.62 84.96 7.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.25 0.547 . . . . 0.0 110.058 176.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.457 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 24.1 tpt180 -154.71 69.75 0.75 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.451 0.643 . . . . 0.0 109.612 -179.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 6.3 mm-40 -167.21 73.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.437 -1.256 . . . . 0.0 108.403 178.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.1 mt -72.79 -29.11 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.071 -172.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -63.93 -23.71 67.45 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.516 -176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.8 m -116.4 6.45 13.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.167 0.508 . . . . 0.0 110.342 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 52' ' ' GLU . 20.8 tp -95.92 -31.69 12.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.953 -176.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.5 mm -74.44 -12.93 15.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.286 0.565 . . . . 0.0 110.384 -176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -63.25 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' HA ' ' OG ' ' A' ' 64' ' ' SER . 11.1 p -84.45 -12.58 54.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.042 0.448 . . . . 0.0 111.265 -177.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.73 -19.66 6.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.417 0.627 . . . . 0.0 110.517 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.61 35.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.901 -171.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 32.7 m 49.85 49.69 19.75 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.876 176.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 2.9 p -157.34 -55.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.307 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.406 ' OG ' ' HA ' ' A' ' 59' ' ' SER . 60.4 m 55.16 72.45 0.48 Allowed 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.253 0.346 . . . . 0.0 111.209 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.02 93.53 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.926 0.393 . . . . 0.0 110.115 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 87.64 73.38 1.28 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 -173.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.11 75.72 10.31 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 60.2 26.14 15.56 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.352 0.596 . . . . 0.0 110.18 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.1 p -169.71 124.26 0.69 Allowed Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.704 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.33 148.81 62.16 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.03 1.82 . . . . 0.0 111.536 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -80.73 76.99 7.61 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.18 0.514 . . . . 0.0 109.667 178.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -124.17 73.82 1.26 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.15 -177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.61 -51.75 0.77 Allowed Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 111.501 -0.64 . . . . 0.0 111.501 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 t 61.22 40.63 14.38 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.124 0.488 . . . . 0.0 110.996 176.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 76' ' ' PRO . 48.1 ttp180 -170.26 129.86 0.87 Allowed Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.592 -178.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 75' ' ' ARG . 14.0 Cg_endo -56.58 125.03 17.7 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.39 2.06 . . . . 0.0 110.857 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.475 HD22 ' N ' ' A' ' 77' ' ' ASN . 0.8 OUTLIER -71.07 84.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.991 -175.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 39.4 m 56.6 51.96 10.41 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.314 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -109.32 76.74 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.309 0.576 . . . . 0.0 109.499 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.73 78.21 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.318 0.58 . . . . 0.0 110.188 -177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.6 p -86.78 -28.87 22.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.517 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.6 p -114.74 35.28 4.34 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 121.228 0.537 . . . . 0.0 110.937 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.79 18.0 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.455 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -110.85 69.4 0.69 Allowed 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.151 0.501 . . . . 0.0 110.362 -177.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -89.78 -48.37 7.3 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.687 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.7 p -129.74 36.73 4.04 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.119 0.485 . . . . 0.0 111.058 -178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.0 m -95.05 -67.99 0.82 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 . . . . . 0 N--CA 1.48 1.029 0 C-N-CA 124.079 0.951 . . . . 0.0 112.855 175.93 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.847 0 N-CA-C 112.316 -0.313 . . . . 0.0 112.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 65.98 103.33 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.134 0.574 . . . . 0.0 111.504 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 65.4 m80 -96.3 -64.37 1.06 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.525 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -174.84 -53.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.437 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HG3' ' H ' ' A' ' 3' ' ' ALA . 43.8 tpp -147.1 131.15 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.882 0.372 . . . . 0.0 111.245 -174.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -69.78 -21.41 63.42 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.175 -176.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' H ' ' HG3' ' A' ' 1' ' ' MET . . . -55.59 -40.26 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.375 178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.1 ttp180 -72.29 -34.5 68.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.959 0.409 . . . . 0.0 110.24 178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.2 tmt_? -65.06 -46.11 82.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.579 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -69.12 -25.89 64.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -65.41 -46.54 79.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.603 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.36 -39.27 85.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.078 0.466 . . . . 0.0 110.273 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 5' ' ' ARG . 4.2 mm? -67.0 -33.18 75.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.188 177.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.88 94.98 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.689 0.756 . . . . 0.0 109.624 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -73.37 -20.98 60.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.794 -1.094 . . . . 0.0 110.944 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -81.75 -35.59 29.5 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 176.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.38 -39.65 91.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.479 175.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.469 ' HA ' ' OE1' ' A' ' 17' ' ' GLU . 78.0 mtp180 -57.69 -35.41 70.58 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.745 176.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.5 mt -80.9 -37.31 29.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.37 98.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.167 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' OE1' ' HA ' ' A' ' 14' ' ' ARG . 15.8 pt-20 -63.6 -48.76 76.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.177 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.1 mt -57.8 -43.24 83.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.064 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' NZ ' ' HB2' ' A' ' 19' ' ' LYS . 3.5 ttmp? -58.21 -45.09 88.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.762 0.315 . . . . 0.0 110.721 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 2.1 mmp_? -62.35 -39.29 92.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.081 0.467 . . . . 0.0 110.654 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -67.68 -52.77 33.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.687 -179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tpp180 -60.33 -53.34 58.78 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.535 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -56.53 -47.24 79.82 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.374 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.2 OUTLIER -65.94 -40.05 91.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.986 0.422 . . . . 0.0 110.616 -178.306 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 33.5 ttp180 -62.55 -25.37 68.02 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.433 -179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.31 -33.24 75.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.869 0.366 . . . . 0.0 110.805 178.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -80.55 -29.79 37.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.36 0.6 . . . . 0.0 110.03 176.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 43.5 mt-30 -77.1 -60.8 2.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.302 -175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.79 -41.61 62.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.19 0.519 . . . . 0.0 110.509 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 66.78 26.13 9.51 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.534 175.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -89.75 -38.57 6.49 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.044 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 31.0 ptt180 43.28 33.87 0.64 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.413 1.085 . . . . 0.0 112.614 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.0 t -176.77 116.91 0.11 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.2 mt -110.22 72.53 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.565 0.698 . . . . 0.0 109.298 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.0 m -145.51 79.72 11.24 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.288 -179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -65.88 133.6 34.31 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.927 2.418 . . . . 0.0 112.059 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.6 m -83.51 73.59 10.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.202 0.525 . . . . 0.0 110.605 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -118.77 44.6 2.25 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.751 0.786 . . . . 0.0 109.317 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.92 72.5 1.41 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.494 -0.776 . . . . 0.0 109.054 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 26.1 t -98.49 66.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.876 0.846 . . . . 0.0 109.44 -177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 74.32 4.8 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.556 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 5.1 Cg_endo -85.82 65.99 5.49 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 123.002 2.468 . . . . 0.0 112.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 m -98.39 100.12 8.59 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.729 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 1.9 Cg_endo -82.86 52.55 4.07 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.776 2.317 . . . . 0.0 111.623 179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.6 t 72.84 143.38 0.07 Allowed 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.592 -177.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -139.08 70.81 1.37 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.339 0.59 . . . . 0.0 109.785 -177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.6 89.2 3.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.948 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.9 m-80 61.8 47.44 6.15 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.188 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.9 p -101.35 48.26 0.89 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.999 0.428 . . . . 0.0 110.906 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -117.88 30.42 7.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.693 0.758 . . . . 0.0 109.216 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.2 tpp85 -165.4 87.75 0.42 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.048 -0.978 . . . . 0.0 109.669 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -71.84 87.17 0.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.486 177.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.9 mt -65.4 -27.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.049 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -63.04 -22.0 66.55 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.232 -0.894 . . . . 0.0 110.398 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 40.1 m -133.06 37.72 3.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.226 0.536 . . . . 0.0 110.366 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.0 tp -87.09 -41.66 13.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.307 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 40.0 mm -80.29 -16.48 12.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.472 0.653 . . . . 0.0 109.564 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -63.27 -31.26 72.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.945 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.9 m -79.65 -18.36 51.63 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.161 0.505 . . . . 0.0 110.451 179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 75.6 mt -87.81 -38.19 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.062 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.4 tp -73.14 -26.72 61.31 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.558 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.5 p -84.13 7.57 18.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.14 0.495 . . . . 0.0 110.611 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.2 p -132.04 15.03 4.72 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.386 176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 58.2 p -164.26 39.56 0.08 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.742 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -88.41 -14.24 38.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.74 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -123.11 35.72 3.29 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.504 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -102.04 43.07 1.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.105 0.479 . . . . 0.0 110.708 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -95.28 38.54 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.314 0.578 . . . . 0.0 110.013 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 m -114.87 114.78 43.93 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.104 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.44 127.26 16.98 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.156 1.904 . . . . 0.0 111.599 179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -89.33 82.24 6.53 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.112 0.482 . . . . 0.0 109.927 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.3 mmt180 -111.45 97.21 6.59 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.237 -177.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.05 -76.33 0.4 Allowed Glycine 0 N--CA 1.445 -0.763 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 -176.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 21.2 t 55.01 45.82 25.56 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.247 0.546 . . . . 0.0 110.51 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -165.84 122.34 1.01 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.885 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.58 116.94 4.87 Favored 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 121.823 1.682 . . . . 0.0 110.836 173.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -74.27 73.28 1.81 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.623 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.2 m 57.89 54.26 6.26 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.536 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.34 99.91 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.227 -177.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 30.6 mt 55.46 61.99 0.22 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 121.694 0.759 . . . . 0.0 110.171 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.3 m -78.64 0.47 26.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.446 -176.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.7 p -133.86 42.87 2.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.343 . . . . 0.0 110.794 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -174.33 -37.09 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.997 -1.097 . . . . 0.0 113.392 -177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -83.33 77.26 9.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.657 0.742 . . . . 0.0 110.506 -176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -129.0 97.92 4.78 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.082 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.2 t -130.96 39.05 3.62 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.784 0.802 . . . . 0.0 109.017 178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 19.1 m -148.24 89.76 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.363 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.779 -0.629 . . . . 0.0 109.935 178.491 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.16 36.51 1.02 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.952 0.406 . . . . 0.0 111.49 -178.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -94.95 -56.44 2.75 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 176.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 12.2 tpt -164.56 55.55 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.163 174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.5 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.9 ttm -143.38 33.45 1.32 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.401 -179.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.556 ' HA ' HE21 ' A' ' 2' ' ' GLN . 0.1 OUTLIER -74.05 -32.96 63.53 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.523 -175.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.32 -46.93 86.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.197 0.522 . . . . 0.0 110.145 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.5 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 48.4 ttt180 -70.34 -39.7 74.54 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.183 177.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 -57.23 -37.53 72.4 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.53 0.205 . . . . 0.0 111.488 178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -67.33 -48.06 68.69 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -58.24 -39.24 78.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.711 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -66.98 -34.64 78.21 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.9 mt -70.69 -38.11 73.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.093 0.473 . . . . 0.0 109.964 176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -38.62 85.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.39 0.614 . . . . 0.0 110.033 170.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -74.43 -20.11 60.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.16 -177.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -52.15 -19.51 2.0 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.929 177.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.64 -37.79 73.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.072 0.463 . . . . 0.0 110.593 174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.513 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 69.4 mtp180 -64.87 -26.36 68.29 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.812 176.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.4 mt -78.14 -36.4 47.81 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 176.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.94 -32.26 73.53 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.927 172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.2 tp10 -57.97 -42.61 85.38 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.467 172.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 97.0 mt -62.53 -41.48 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.138 0.494 . . . . 0.0 110.474 176.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -63.91 -38.74 92.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 175.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -58.84 -55.69 31.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.596 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 10.5 pt20 -58.44 -35.32 71.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.147 178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -65.38 -49.9 67.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.02 0.438 . . . . 0.0 110.869 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -62.0 -36.15 80.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.76 -43.87 95.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.292 175.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -65.5 -35.87 82.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.286 -179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.95 -26.14 64.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.155 0.502 . . . . 0.0 110.646 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -83.61 -33.39 25.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.601 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -77.46 -61.92 1.83 Allowed 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.04 -177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.4 -51.43 13.14 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 120.988 0.423 . . . . 0.0 110.721 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 64.7 6.71 3.39 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.995 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 63.39 35.91 92.69 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.815 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -81.94 -19.82 39.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.578 0.228 . . . . 0.0 111.46 -175.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.6 p -121.83 62.12 0.94 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.368 0.604 . . . . 0.0 111.116 -178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.36 86.54 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.828 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.3 m -141.17 90.16 9.32 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.672 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -68.13 130.63 21.84 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.766 2.311 . . . . 0.0 111.482 175.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.7 m -145.86 23.73 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.224 0.535 . . . . 0.0 110.825 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -151.05 81.24 1.32 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.439 0.638 . . . . 0.0 109.911 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.3 mt -94.17 36.85 1.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.519 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 p 39.39 58.48 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 CA-C-N 114.64 -1.164 . . . . 0.0 112.12 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 m -138.39 78.03 33.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.083 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -90.35 35.13 0.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.096 2.53 . . . . 0.0 111.836 178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.3 m -111.28 101.32 50.17 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.871 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -75.84 49.49 2.5 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.952 2.435 . . . . 0.0 112.297 178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 t 56.86 37.25 28.68 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.375 -178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -161.0 140.12 10.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.77 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.1 69.84 0.67 Allowed 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.748 0.655 . . . . 0.0 110.622 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 m-20 -84.21 52.46 2.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.371 -176.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.9 t 63.56 82.4 0.18 Allowed 'General case' 0 C--O 1.232 0.169 0 O-C-N 123.476 0.485 . . . . 0.0 109.821 -177.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -70.96 -62.11 1.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.096 -178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 54.61 87.54 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 O-C-N 123.884 0.74 . . . . 0.0 110.631 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.408 ' OE2' ' HA ' ' A' ' 52' ' ' GLU . 2.5 mm-40 -161.03 81.8 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.573 0.702 . . . . 0.0 109.829 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.414 ' O ' HG12 ' A' ' 57' ' ' ILE . 70.6 mt -67.54 -26.57 35.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.047 -177.05 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.81 -37.3 83.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.372 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 m -79.1 -28.06 42.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.904 0.383 . . . . 0.0 110.715 -178.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.19 -39.99 68.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.031 0.443 . . . . 0.0 110.213 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 53' ' ' ILE . 50.8 mm -73.08 -29.37 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.99 177.324 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.35 -31.82 72.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.062 177.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.3 m -63.11 -41.04 99.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.98 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 69.4 mt -75.91 -26.2 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.669 0.747 . . . . 0.0 109.965 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.9 tp -73.13 -15.57 61.47 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.942 -176.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.0 t -133.33 40.49 3.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.195 0.521 . . . . 0.0 110.449 -177.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.552 ' O ' ' HD3' ' A' ' 70' ' ' PRO . 15.8 p -143.24 -58.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.712 176.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 68' ' ' ASN . 20.8 p -105.7 45.36 0.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.068 0.461 . . . . 0.0 111.217 -178.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.492 ' HB3' ' HB3' ' A' ' 70' ' ' PRO . . . -77.57 78.97 4.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.275 0.559 . . . . 0.0 110.215 179.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 126.64 -141.96 13.17 Favored Glycine 0 N--CA 1.444 -0.809 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -176.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 68' ' ' ASN . . . -84.62 79.81 9.46 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.847 0.323 . . . . 0.0 110.204 178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' HB2' ' O ' ' A' ' 67' ' ' ALA . 18.1 m120 77.47 -51.37 0.53 Allowed 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.798 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.2 p -124.83 144.73 47.64 Favored Pre-proline 0 C--N 1.319 -0.722 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.14 -176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.552 ' HD3' ' O ' ' A' ' 63' ' ' SER . 55.2 Cg_endo -84.31 140.73 8.74 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.451 2.101 . . . . 0.0 111.28 175.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.42 62.38 7.2 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.424 0.631 . . . . 0.0 109.77 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -97.02 73.4 2.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.854 -178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.51 -45.39 3.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.462 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m 57.95 49.62 11.54 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.377 0.608 . . . . 0.0 110.275 -177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 25.2 tpp180 -160.67 87.88 1.76 Allowed Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.02 -177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.2 104.34 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.262 0 C-N-CA 122.748 2.299 . . . . 0.0 111.834 -176.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -81.64 53.77 2.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.305 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.8 p -82.49 72.42 9.56 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.655 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.8 t -104.47 70.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.564 0.697 . . . . 0.0 109.315 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 65.9 mt -107.8 80.4 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.826 -177.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.8 m -87.31 2.84 49.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 26.3 m -153.56 95.92 1.96 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 120.927 0.394 . . . . 0.0 109.993 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 158.49 34.68 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.411 -0.899 . . . . 0.0 112.623 178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -140.6 49.5 1.7 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.092 0.473 . . . . 0.0 110.776 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 93.1 mt -135.17 161.33 35.66 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.577 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.4 m -101.67 45.63 0.96 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.178 0.513 . . . . 0.0 110.61 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -102.32 35.56 2.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.381 0.61 . . . . 0.0 109.905 177.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.179 -0.915 . . . . 0.0 109.23 179.668 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.863 -0.495 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.15 45.5 20.56 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 122.9 0.48 . . . . 0.0 111.56 177.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -86.78 -19.55 28.9 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.667 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 22.2 ptp 38.6 53.18 1.86 Allowed 'General case' 0 N--CA 1.471 0.583 0 O-C-N 124.177 0.923 . . . . 0.0 111.832 175.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG2' ' H ' ' A' ' 2' ' ' GLN . 50.4 ttp -118.32 177.52 4.78 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.296 -0.866 . . . . 0.0 109.037 -178.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.501 ' H ' ' HG2' ' A' ' 1' ' ' MET . 9.5 tt0 -55.2 -26.71 40.97 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.219 0.463 . . . . 0.0 111.048 179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.81 -29.91 60.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.649 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.4 ttt180 -72.11 -39.18 69.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.215 0.531 . . . . 0.0 110.007 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -67.31 -33.46 75.32 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -64.06 -48.48 76.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.861 -1.063 . . . . 0.0 109.407 175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -54.76 -29.94 55.32 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.486 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.7 tp -71.86 -53.32 13.6 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.5 mt -59.82 -35.3 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.621 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.99 -42.03 97.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.424 0.63 . . . . 0.0 110.198 174.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -31.72 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.19 -0.914 . . . . 0.0 109.993 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -73.43 -33.6 65.01 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.223 176.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.99 -26.97 67.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.205 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.2 mmp_? -62.87 -42.89 99.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.048 0.452 . . . . 0.0 110.536 174.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.62 -36.91 68.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.975 177.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.12 -32.61 73.21 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.365 175.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 25.3 tp10 -61.57 -51.58 67.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.614 176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.1 mt -56.86 -45.46 83.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.838 176.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -58.7 -43.46 90.07 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.748 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -68.57 -39.89 80.79 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.144 179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.437 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 57.9 mt-30 -63.81 -31.95 73.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.932 0.396 . . . . 0.0 110.338 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -61.98 -48.77 78.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.122 175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -64.14 -30.69 71.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 110.448 176.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 tp -70.54 -50.03 41.86 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.084 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -57.64 -42.07 82.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.978 174.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.13 68.26 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.4 -32.42 54.76 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -73.61 -44.77 56.27 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.227 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.54 -32.03 63.98 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.397 0.617 . . . . 0.0 110.848 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.44 36.54 2.94 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.56 -1.2 . . . . 0.0 111.398 175.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.67 71.51 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.556 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -107.54 69.65 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.512 0.673 . . . . 0.0 109.681 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.1 m -150.88 63.68 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.812 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.8 pt -127.15 171.29 15.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.355 0.598 . . . . 0.0 111.664 -174.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.2 m -135.83 84.08 33.29 Favored Pre-proline 0 C--N 1.317 -0.812 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.224 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -64.94 121.27 8.72 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.785 2.323 . . . . 0.0 112.304 -176.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.1 t -146.85 123.98 11.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.404 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -87.96 50.09 1.92 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD22 ' HA ' ' A' ' 39' ' ' LEU . 1.3 tm? 58.95 75.89 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.621 -1.172 . . . . 0.0 109.719 -176.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 t -102.45 55.3 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.172 0.987 . . . . 0.0 108.702 177.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 p -159.45 81.62 2.51 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 114.594 -1.184 . . . . 0.0 110.322 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -81.54 30.97 0.51 Allowed 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 123.115 2.543 . . . . 0.0 112.018 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.556 ' CG2' ' HB2' ' A' ' 46' ' ' ARG . 7.0 m -112.25 97.29 38.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.828 -177.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' ' HD3' ' A' ' 46' ' ' ARG . 89.9 Cg_endo -85.5 89.41 0.79 Allowed 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.489 2.126 . . . . 0.0 112.792 176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.3 m 56.67 64.78 1.57 Allowed 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.5 0.667 . . . . 0.0 111.616 177.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.556 ' HB2' ' CG2' ' A' ' 43' ' ' THR . 66.6 mtp180 -132.52 154.78 49.62 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.761 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.21 79.27 2.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.117 0.484 . . . . 0.0 110.597 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.465 ' HB3' HG21 ' A' ' 43' ' ' THR . 7.7 p30 -92.02 30.35 1.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.017 -175.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.0 p -131.19 45.18 2.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.441 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 50' ' ' ARG . 13.1 ttm180 -67.93 -43.32 79.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.948 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.9 tpp180 -167.17 -59.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.686 178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -168.02 77.92 0.15 Allowed 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.657 178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 86.9 mt -73.34 -24.87 20.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.255 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -68.04 -10.81 56.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.123 177.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.9 m 73.6 40.32 0.51 Allowed 'General case' 0 N--CA 1.458 -0.067 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.263 171.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.2 tp -66.06 -22.07 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.454 0.645 . . . . 0.0 109.649 172.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.3 mm -67.94 -20.61 26.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.371 -178.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -64.79 -41.71 95.62 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.78 -178.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 p -80.05 -18.71 49.37 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.191 0.519 . . . . 0.0 110.631 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 76.7 mt -80.45 -36.33 16.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.992 177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 48.8 tp -69.38 -16.61 63.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.1 p -107.81 16.9 23.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.973 178.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 13.8 p -133.64 -30.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.026 178.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -124.07 53.9 1.37 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.227 0.536 . . . . 0.0 110.737 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.12 9.14 9.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.689 0.756 . . . . 0.0 110.137 175.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.47 157.02 25.32 Favored Glycine 0 N--CA 1.44 -1.04 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.706 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.92 41.85 0.83 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.06 0.457 . . . . 0.0 110.867 -178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -120.26 36.06 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.276 0.56 . . . . 0.0 110.513 -177.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.454 ' HB3' ' HD3' ' A' ' 70' ' ' PRO . 22.7 t -168.9 -54.6 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.187 177.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 69' ' ' SER . 68.2 Cg_endo -73.72 83.51 1.55 Allowed 'Trans proline' 0 C--N 1.356 0.951 0 C-N-CA 121.864 1.71 . . . . 0.0 111.619 174.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mmm180 -113.83 39.47 2.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.578 0.704 . . . . 0.0 110.694 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 72' ' ' ARG . 43.6 ttm180 -102.96 29.48 5.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 172.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.14 152.97 8.85 Favored Glycine 0 N--CA 1.441 -0.974 0 CA-C-N 114.172 -1.376 . . . . 0.0 109.943 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.5 t -140.31 97.84 3.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.438 0.619 . . . . 0.0 110.501 -177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -162.46 136.52 4.88 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 177.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.95 96.54 0.04 OUTLIER 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.695 2.263 . . . . 0.0 111.879 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -104.61 30.09 5.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.903 -176.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.5 p -143.75 109.38 5.17 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.37 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 57.8 t -77.38 82.25 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.02 0.438 . . . . 0.0 110.562 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 80' ' ' ILE . 32.4 mt 52.69 46.29 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 122.241 1.019 . . . . 0.0 110.303 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.5 m -85.89 -11.66 52.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.217 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.5 p -107.47 14.93 25.37 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 111.187 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.29 48.86 0.49 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.946 -0.645 . . . . 0.0 111.916 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -152.89 63.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.481 0.657 . . . . 0.0 110.1 -178.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 97.9 mt -137.78 34.55 2.42 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.5 p -105.58 46.64 0.91 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.4 m -129.28 75.76 1.67 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.155 0.502 . . . . 0.0 110.617 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.522 177.658 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.148 -0.381 . . . . 0.0 112.148 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -149.7 86.08 1.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.934 0.397 . . . . 0.0 110.487 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -101.72 -17.27 16.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.972 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 44.5 tpp -121.98 36.95 4.49 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.389 0.614 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HG2' ' H ' ' A' ' 4' ' ' ARG . 27.2 ttt 55.58 79.0 0.17 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.068 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -64.1 -26.01 68.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.321 -177.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.93 -46.01 89.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.882 177.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' H ' ' HG2' ' A' ' 1' ' ' MET . 71.7 ttt180 -74.25 -29.42 61.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.058 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -67.96 -45.68 73.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.908 178.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.92 -51.01 69.89 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.656 177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.95 -37.19 63.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.2 175.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.5 tp -70.22 -48.07 58.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.865 -0.421 . . . . 0.0 109.865 -178.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.49 -32.02 72.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.129 176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.58 -42.88 99.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.272 0.558 . . . . 0.0 109.945 173.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.06 -27.7 61.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.582 177.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -67.42 -20.74 65.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.134 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.83 -17.82 61.91 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.494 -0.775 . . . . 0.0 111.424 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -55.94 -42.75 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.893 175.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.0 mt -67.39 -36.72 81.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 0.0 110.178 177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.06 -35.64 80.9 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.45 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.18 -50.79 64.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.399 177.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.5 mt -57.66 -46.14 86.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.7 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -61.81 -39.23 91.03 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.792 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -63.36 -35.01 78.96 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.893 -178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.89 -41.21 99.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.341 0.591 . . . . 0.0 110.079 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -64.56 -52.59 56.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.394 177.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -65.51 -20.1 66.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.552 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.4 tp -70.25 -52.09 25.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 176.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -61.0 -29.64 69.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.899 175.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.63 -45.36 68.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.032 0.444 . . . . 0.0 110.49 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -76.02 -27.97 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.498 177.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -74.08 -51.47 15.65 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.638 -177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.88 -50.29 17.45 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.586 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 55.85 45.73 23.58 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.329 0.585 . . . . 0.0 111.296 176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 67.35 36.4 89.22 Favored Glycine 0 CA--C 1.519 0.321 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.843 174.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -93.17 55.55 2.34 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 117.054 0.427 . . . . 0.0 110.562 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.6 m 63.53 75.64 0.38 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.08 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 35.6 pt -130.49 52.02 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.519 0.676 . . . . 0.0 110.924 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.3 m -114.65 80.75 6.54 Favored Pre-proline 0 C--N 1.319 -0.727 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 71.2 Cg_endo -94.04 54.83 0.33 Allowed 'Trans proline' 0 N--CA 1.45 -1.054 0 C-N-CA 123.27 2.646 . . . . 0.0 111.674 -179.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.9 m -120.84 38.63 3.99 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.428 -178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -141.43 46.8 1.7 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.743 0.782 . . . . 0.0 109.032 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 pp -107.37 31.33 5.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.02 -176.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 95.3 t 71.38 105.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.814 -179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -135.24 83.83 37.48 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.218 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -73.23 7.18 2.24 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.119 2.546 . . . . 0.0 113.403 -178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 91.2 m -111.38 98.03 38.37 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 120.756 0.312 . . . . 0.0 110.218 174.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo -87.8 50.39 1.87 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 123.227 2.618 . . . . 0.0 112.101 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.0 p -78.14 91.44 4.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.227 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.643 ' O ' ' HD2' ' A' ' 50' ' ' ARG . 17.9 tpp180 59.08 71.56 0.58 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.482 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -98.48 18.34 16.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.866 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -151.42 134.05 15.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.219 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 p 52.06 96.23 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.665 0.786 . . . . 0.0 112.436 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.643 ' HD2' ' O ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -116.88 53.22 0.91 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.956 179.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -161.28 72.04 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.066 0.46 . . . . 0.0 110.495 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.414 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 3.1 mp0 -154.3 77.51 1.07 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' HA ' HD12 ' A' ' 56' ' ' LEU . 81.6 mt -69.5 -24.11 27.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.665 0.745 . . . . 0.0 109.857 178.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -63.01 -24.77 68.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.669 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.5 p -122.54 33.65 5.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.2 0.524 . . . . 0.0 110.94 -178.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 53' ' ' ILE . 25.8 mt -99.47 -37.3 9.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.047 175.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.6 mm -63.53 -41.45 92.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.192 0.52 . . . . 0.0 110.676 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -66.44 -25.46 66.75 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.019 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 t -84.18 -37.03 22.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.684 178.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 56' ' ' LEU . 84.6 mt -67.14 -27.5 39.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 121.626 0.727 . . . . 0.0 109.916 178.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.4 tp -61.3 -22.24 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.932 -1.031 . . . . 0.0 110.944 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -120.81 26.21 9.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.263 0.554 . . . . 0.0 109.868 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.5 p -154.06 58.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.477 0.656 . . . . 0.0 110.044 176.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.9 p -153.67 45.08 0.61 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.39 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.35 4.71 38.07 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.69 -176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 114.94 115.81 3.07 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.477 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.78 5.85 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.1 0.476 . . . . 0.0 111.134 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -157.31 70.95 0.63 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.9 p -136.22 141.15 35.06 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.961 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -59.61 136.11 68.75 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.68 2.253 . . . . 0.0 111.607 178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -69.31 115.03 8.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.895 -177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -128.51 80.38 1.96 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.597 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -119.84 37.21 3.18 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.789 -176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 6.9 t -121.44 54.79 1.11 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -159.38 129.62 3.5 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.835 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.32 129.22 15.64 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 121.974 1.782 . . . . 0.0 110.965 172.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 39.0 m-80 -59.62 134.81 57.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.999 177.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -77.59 65.12 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.159 0.504 . . . . 0.0 110.782 -175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 48.8 t -104.43 -19.69 6.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.419 0.628 . . . . 0.0 110.171 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 64.6 mt -100.07 68.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.628 0.728 . . . . 0.0 109.496 -178.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.2 p -87.55 -4.59 58.97 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.755 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.6 p -126.34 45.24 2.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.382 0.611 . . . . 0.0 110.065 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -152.38 31.19 0.86 Allowed Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.855 -179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -133.43 97.69 4.02 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 86.6 mt 62.6 31.66 16.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.862 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.6 t -144.14 76.92 1.53 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.559 -179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.0 m -106.02 34.5 3.3 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.901 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.117 178.522 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 60.24 48.89 7.68 Favored 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 122.847 0.459 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -85.22 -16.69 39.41 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . 0.46 ' HB3' ' OE1' ' A' ' 2' ' ' GLN . 94.3 mmm 64.66 -175.31 0.17 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.343 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -156.65 57.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.335 0.588 . . . . 0.0 110.451 -177.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.46 ' OE1' ' HB3' ' A' ' 0' ' ' MET . 1.5 mp0 -80.59 -28.33 37.15 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.213 -0.448 . . . . 0.0 109.975 177.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.47 -55.82 29.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.306 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -70.5 -25.84 63.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.116 0.484 . . . . 0.0 110.144 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.454 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.1 tmm_? -66.21 -27.35 67.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.081 -177.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -66.81 -44.68 80.59 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.256 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.46 -27.97 66.63 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-O 120.714 0.293 . . . . 0.0 110.589 176.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.3 mt -65.92 -37.16 85.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.703 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.23 -37.25 80.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.929 0.395 . . . . 0.0 110.599 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.85 -44.77 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.497 0.665 . . . . 0.0 109.699 175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 26.8 mtpp -68.72 -27.33 65.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.927 -1.033 . . . . 0.0 110.913 177.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -66.7 -42.54 86.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.826 0.346 . . . . 0.0 110.195 178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.11 -41.38 94.95 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.205 175.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -61.91 -41.02 97.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.562 176.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 93.5 mt -64.55 -40.21 95.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.703 176.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.71 93.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.467 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 20' ' ' ARG . 9.8 tp10 -61.05 -44.98 96.57 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.276 175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 96.4 mt -61.71 -35.91 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 15' ' ' LEU . 43.3 mmtm -59.52 -27.81 66.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 120.63 0.252 . . . . 0.0 111.246 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 17' ' ' GLU . 33.5 ttm105 -62.39 -21.31 65.26 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.756 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.519 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 10.8 pt20 -59.32 -32.84 70.44 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -57.59 -43.81 84.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.747 174.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -70.62 -29.29 65.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.107 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.6 tp -68.56 -45.65 71.54 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.799 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.519 ' HD3' ' O ' ' A' ' 21' ' ' GLN . 11.8 mpt_? -63.47 -23.76 67.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.176 178.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.12 -33.21 75.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.002 0.429 . . . . 0.0 110.1 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -82.84 -23.92 33.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.562 178.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.426 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 29.5 mt-30 -77.06 -49.76 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.132 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.9 -36.69 64.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.518 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.32 5.52 5.05 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.823 174.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.76 8.08 27.8 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.09 179.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 -103.91 52.51 0.76 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.402 0.62 . . . . 0.0 110.555 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.2 t -148.46 125.89 11.63 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.332 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.2 mt -116.13 78.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.255 0.55 . . . . 0.0 110.039 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.5 m -118.67 92.43 44.17 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.101 177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -61.41 130.07 30.54 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.708 2.272 . . . . 0.0 111.64 179.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.65 68.31 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.485 0.66 . . . . 0.0 111.349 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -131.63 50.8 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.891 175.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.2 tp -149.29 56.85 1.0 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.883 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 51.9 t 62.06 91.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.061 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -120.17 90.78 45.16 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.285 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -73.28 58.39 3.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 123.4 2.733 . . . . 0.0 112.847 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 20.3 m -81.1 111.27 22.64 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.934 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.21 72.23 1.19 Allowed 'Trans proline' 0 C--N 1.351 0.706 0 C-N-CA 122.865 2.377 . . . . 0.0 112.941 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 t -160.02 103.09 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.8 tpp85 -173.14 162.36 4.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 -172.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.63 49.04 0.71 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.389 0.614 . . . . 0.0 110.862 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -158.09 117.96 3.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.839 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.2 m -72.77 84.92 1.21 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.162 0.506 . . . . 0.0 110.588 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 85.33 2.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 2.9 tmm_? 69.88 79.72 0.19 Allowed 'General case' 0 C--N 1.334 -0.101 0 O-C-N 124.135 0.897 . . . . 0.0 108.703 -170.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 4.0 mm-40 -164.74 92.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.692 -176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 83.6 mt -72.97 -14.78 17.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.52 -178.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -61.49 -30.9 70.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.825 -178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 p -104.08 -1.79 26.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.407 0.623 . . . . 0.0 110.596 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 21.6 tp -84.55 -18.61 35.13 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.939 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' ILE . 29.4 mm -88.46 5.91 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.636 0.731 . . . . 0.0 110.001 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -62.16 -42.68 99.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.555 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.1 m -71.2 -17.56 62.51 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.008 -178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.7 mt -92.41 -21.96 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.578 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 43.5 tp -81.82 52.68 1.98 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.295 -175.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m 51.46 51.46 16.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.003 175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.3 p -112.51 6.9 18.76 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.065 0.459 . . . . 0.0 110.797 -178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.9 t -157.71 74.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.847 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -100.01 12.97 35.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.287 0.565 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.77 102.83 1.36 Allowed Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.74 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 58.04 30.39 19.17 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -145.55 20.35 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.03 0.443 . . . . 0.0 110.796 174.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.5 m -160.66 131.19 3.61 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.963 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.37 48.05 1.46 Allowed 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.78 2.32 . . . . 0.0 112.389 176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -131.13 20.65 4.88 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.352 -178.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.588 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.3 tpm_? -110.75 24.65 12.69 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.487 0.66 . . . . 0.0 110.074 -177.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -86.59 82.1 1.66 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.21 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.7 p 48.75 46.79 21.53 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.343 0.657 . . . . 0.0 111.771 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -140.8 84.1 13.8 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.522 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.77 78.11 3.82 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.224 1.949 . . . . 0.0 110.461 173.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -73.99 88.19 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.339 -175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.2 m 59.79 52.86 5.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.269 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 25.0 t -93.49 62.44 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.642 0.734 . . . . 0.0 109.028 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 23.9 mt -121.7 46.76 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.67 -177.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.9 -26.27 49.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.274 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.7 m -72.88 -38.88 66.82 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.227 0.537 . . . . 0.0 110.383 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -78.1 -44.55 11.54 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.829 -0.701 . . . . 0.0 111.732 177.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 60.33 63.19 1.43 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.432 0.634 . . . . 0.0 110.853 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.24 -69.39 0.83 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.908 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.4 p -95.52 57.27 1.9 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.361 0.6 . . . . 0.0 110.581 -178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 51.5 m -151.37 -70.96 0.17 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--O 1.247 0.971 0 O-C-N 123.978 0.799 . . . . 0.0 110.709 -179.937 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.602 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -146.88 105.46 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.64 0.22 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 20.4 t60 68.09 -77.05 0.05 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.994 0.809 . . . . 0.0 110.555 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 52.6 ttm -151.38 -57.76 0.16 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.1 ttm -155.24 63.08 0.63 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 174.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -72.09 -16.85 62.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.535 -175.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.76 -50.75 72.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 0.0 110.574 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 69.6 ttt180 -68.86 -30.59 69.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.223 0.535 . . . . 0.0 110.227 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.502 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -66.9 -38.29 85.96 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.256 178.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -66.1 -27.94 68.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.669 -178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -64.74 -39.68 94.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.923 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.61 -45.56 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.481 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.1 -30.67 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 110.618 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -45.75 90.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.465 0.65 . . . . 0.0 109.663 174.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.2 ttmm -68.67 -24.11 64.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.973 -1.012 . . . . 0.0 110.671 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.8 mmmm -84.04 -38.82 20.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.041 -178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.6 -33.3 75.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.129 0.49 . . . . 0.0 110.487 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.486 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 2.3 mmp_? -59.73 -41.09 90.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.472 174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -77.53 -34.35 53.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.75 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.84 -35.82 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.65 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 15.2 tp10 -61.75 -52.27 64.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.488 175.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.11 -43.02 74.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.953 176.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.0 ttpp -59.5 -46.02 90.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.871 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -63.14 -42.33 99.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' ' 17' ' ' GLU . 70.8 mm-40 -68.35 -43.65 77.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.145 -178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -57.37 -53.53 57.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.575 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -57.66 -41.84 82.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.329 179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.16 -44.93 74.88 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.857 0.361 . . . . 0.0 111.144 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.403 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 21.4 tpp180 -64.29 -29.84 70.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.482 -177.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.62 -31.77 72.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.153 0.502 . . . . 0.0 110.731 176.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -77.37 -25.5 51.0 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.614 0.721 . . . . 0.0 109.958 175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.403 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 44.9 mt-30 -84.41 -59.69 2.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.218 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.51 -48.83 24.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.972 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.6 62.38 0.94 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.355 0.598 . . . . 0.0 110.703 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.09 21.67 2.8 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.962 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 54.03 23.83 4.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.125 0.57 . . . . 0.0 111.602 -176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 t -171.62 138.86 1.16 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 85.9 mt -102.96 96.2 4.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.046 0.451 . . . . 0.0 110.138 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 25.9 m -92.53 115.21 64.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -49.89 106.22 0.12 Allowed 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.659 2.239 . . . . 0.0 111.48 173.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m -91.98 79.46 5.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.512 -171.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 70.46 88.37 0.11 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.911 175.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 96.0 mt 58.19 39.75 25.56 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.298 173.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 p -159.42 115.42 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.411 0.624 . . . . 0.0 110.129 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.9 m -114.98 102.54 54.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.249 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.502 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 42.5 Cg_exo -58.72 -12.03 13.41 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.075 2.517 . . . . 0.0 113.244 179.403 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.8 m -99.56 100.72 11.35 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 19.6 Cg_exo -67.44 84.42 0.37 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.733 2.288 . . . . 0.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -143.47 57.54 1.37 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.295 0.569 . . . . 0.0 109.735 178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.6 tpp180 -137.18 103.58 5.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.215 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.09 102.88 3.12 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.103 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.405 HD22 ' HA ' ' A' ' 48' ' ' ASN . 8.6 m120 -118.14 52.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.032 0.444 . . . . 0.0 110.663 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 m -83.77 64.95 8.31 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.195 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 54.48 52.34 12.54 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.991 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -79.31 127.1 31.65 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.657 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -69.36 84.2 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.123 0.487 . . . . 0.0 110.93 -179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.09 -26.1 33.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.439 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.13 -11.7 50.82 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.65 177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.7 t -141.79 52.42 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.38 -54.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.544 -177.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mm -73.69 -11.27 14.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.343 0.592 . . . . 0.0 110.56 -175.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.91 -36.82 84.65 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.757 -178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.8 m -83.41 -22.49 32.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.725 -178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.3 mt -81.02 -26.87 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.684 0.754 . . . . 0.0 109.482 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.3 tm? -69.78 -19.55 63.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.755 -1.111 . . . . 0.0 110.167 -178.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m 64.43 28.27 13.56 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.944 175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.3 m -154.82 63.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.28 0.562 . . . . 0.0 109.799 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.1 m -85.11 50.28 1.91 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.697 -177.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.61 48.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.513 -179.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.91 75.75 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.672 -0.694 . . . . 0.0 113.217 -176.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' C ' HD22 ' A' ' 68' ' ' ASN . . . -77.81 1.23 20.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.663 0.268 . . . . 0.0 111.606 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.501 HD22 ' C ' ' A' ' 67' ' ' ALA . 0.9 OUTLIER -123.18 -77.43 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.164 178.631 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.3 p -172.99 91.34 0.38 Allowed Pre-proline 0 C--O 1.234 0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -82.64 147.38 13.78 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.349 2.033 . . . . 0.0 111.907 177.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -79.89 77.53 6.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.252 0.548 . . . . 0.0 110.239 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -129.94 32.25 4.57 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.889 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.9 -155.57 24.01 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.504 -176.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 m -86.99 50.65 2.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.947 0.403 . . . . 0.0 111.183 -176.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -171.57 81.92 0.49 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.142 0.496 . . . . 0.0 111.084 177.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.16 97.86 0.78 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.787 2.325 . . . . 0.0 111.202 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.25 51.67 11.32 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.432 -178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.3 t -162.46 78.75 0.5 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.204 0.526 . . . . 0.0 109.688 177.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.6 p -82.27 -13.85 12.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.753 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.5 mt -95.42 78.2 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.668 0.747 . . . . 0.0 109.515 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.1 m -85.13 16.77 3.31 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.3 -0.864 . . . . 0.0 111.129 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.2 p -103.76 19.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.174 0.511 . . . . 0.0 111.075 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -116.18 -68.83 0.42 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.477 178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 53.8 55.03 8.97 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.275 0.559 . . . . 0.0 111.51 175.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.62 -40.37 15.22 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.4 p -133.25 19.84 4.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.5 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.5 m -90.43 61.68 5.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.247 0.546 . . . . 0.0 110.431 -178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 . . . . . 0 C--O 1.246 0.921 0 CA-C-O 118.766 -0.635 . . . . 0.0 109.864 179.205 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 111.764 -0.534 . . . . 0.0 111.764 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -122.22 126.1 47.5 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.878 0.371 . . . . 0.0 110.6 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -71.77 -34.43 69.45 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 18.1 ptp -170.29 166.68 8.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.337 176.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 ttm -146.65 75.14 1.38 Allowed 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 176.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -60.47 -33.35 72.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.297 -173.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.39 81.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.01 0.433 . . . . 0.0 111.003 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -72.01 -38.19 69.65 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.466 -179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.448 ' O ' ' HD3' ' A' ' 5' ' ' ARG . 2.4 tmt_? -72.04 -31.27 66.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.642 -175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.68 -39.86 84.44 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.55 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 8.7 tp10 -68.91 -35.36 76.75 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.539 176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.39 -37.13 84.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.219 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' NH1' ' A' ' 5' ' ' ARG . 79.8 mt -68.09 -40.65 82.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.026 0.441 . . . . 0.0 110.313 177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.79 97.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.854 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.55 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 0.8 OUTLIER -75.93 -27.91 57.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.672 178.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.9 tttm -58.58 -30.48 67.21 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.833 176.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.94 -36.05 74.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.96 176.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 11' ' ' LYS . 65.7 mtp180 -60.51 -28.26 68.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.522 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.92 -18.25 62.85 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 -176.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.28 -34.47 75.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.12 177.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -59.95 -40.09 87.8 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.12 175.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.3 -42.12 94.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-O 120.828 0.347 . . . . 0.0 110.708 171.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.2 ttpp -58.18 -34.88 70.82 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.636 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 20' ' ' ARG . 5.4 tpp180 -60.47 -47.4 86.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.792 176.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -64.84 -39.82 94.17 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.487 -176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.16 -46.99 87.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.96 0.41 . . . . 0.0 111.091 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -77.57 -23.66 49.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.608 -178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.2 tp -65.72 -37.06 85.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.732 172.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.443 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 57.1 ttp180 -62.96 -20.13 64.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.9 177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.491 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -65.8 -30.0 70.57 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.094 0.473 . . . . 0.0 110.174 176.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -84.83 -32.37 23.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.699 0.761 . . . . 0.0 109.948 176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 17.0 mm100 -80.28 -60.45 2.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.426 -175.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.61 -34.17 64.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.002 0.43 . . . . 0.0 110.547 178.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 72.02 14.3 5.78 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.152 172.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -96.92 23.53 35.16 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.886 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 -130.83 40.88 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.5 t -161.41 105.17 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.756 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 22.7 mt 54.24 44.76 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 122.214 1.006 . . . . 0.0 109.111 -174.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -117.99 89.79 35.32 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 114.803 -1.09 . . . . 0.0 109.861 -176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.83 103.53 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.849 2.366 . . . . 0.0 112.507 -177.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.3 t -159.54 41.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.569 0.7 . . . . 0.0 109.694 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -144.98 62.59 1.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.742 0.782 . . . . 0.0 109.53 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.5 tp -143.97 69.23 1.28 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.254 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 t -114.83 95.22 3.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.102 -178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.6 t -139.3 78.52 27.7 Favored Pre-proline 0 C--N 1.318 -0.771 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.93 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.56 -8.98 18.79 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.687 2.258 . . . . 0.0 112.139 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 44' ' ' PRO . 9.7 m -95.89 109.38 46.19 Favored Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 43' ' ' THR . 19.1 Cg_endo -60.39 103.99 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.384 2.056 . . . . 0.0 112.243 -178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.9 p -93.51 109.68 21.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.815 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.47 53.77 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.066 0.46 . . . . 0.0 109.806 178.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -134.6 92.02 2.85 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.385 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 53.25 61.93 2.91 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.45 -176.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.5 m -77.44 65.1 2.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.344 0.593 . . . . 0.0 111.047 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 59.58 5.72 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 52' ' ' GLU . 0.0 OUTLIER -164.51 114.69 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.001 -1.0 . . . . 0.0 108.531 178.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.537 ' HB2' ' O ' ' A' ' 51' ' ' ARG . 54.6 mm-40 77.49 85.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.298 0 O-C-N 124.03 0.831 . . . . 0.0 110.891 -177.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.7 mt -70.61 -20.68 22.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.179 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -63.14 -19.22 64.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.417 -0.81 . . . . 0.0 110.27 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 m -120.96 32.31 6.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.256 0.551 . . . . 0.0 109.952 177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 23.0 tp -119.3 -26.41 5.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.138 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.1 mm -66.54 -28.98 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.176 0.513 . . . . 0.0 111.017 -174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -64.02 -33.57 76.04 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.67 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.8 m -72.63 -26.27 61.6 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.775 178.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 66.6 mt -77.98 -31.64 16.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.579 0.704 . . . . 0.0 109.547 178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.3 tm? -68.27 -27.87 66.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.882 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -108.34 45.28 1.03 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.345 0.593 . . . . 0.0 110.169 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 16.5 p -158.76 -43.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.514 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.0 p -130.66 99.77 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.897 0.38 . . . . 0.0 111.177 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.87 95.72 9.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.343 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -56.66 -39.83 86.94 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 121.301 -0.476 . . . . 0.0 113.444 -178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.61 37.97 0.85 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 122.567 -0.372 . . . . 0.0 111.743 -178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -74.75 -32.88 62.21 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.1 p -157.17 67.79 4.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.643 174.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -66.08 154.26 74.79 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.359 2.039 . . . . 0.0 111.872 -173.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.78 22.44 1.95 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.43 0.633 . . . . 0.0 109.601 -179.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -78.14 92.88 4.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.441 -0.799 . . . . 0.0 109.815 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.6 104.48 1.98 Allowed Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.894 -0.67 . . . . 0.0 111.964 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.5 t -148.89 62.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.262 0.553 . . . . 0.0 110.208 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -128.81 130.12 23.47 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.485 179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.44 87.36 0.64 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.329 2.019 . . . . 0.0 112.085 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -87.36 71.8 9.88 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.7 m 54.8 56.41 6.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.584 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' CG1' ' HB2' ' A' ' 84' ' ' GLU . 25.6 t -72.93 95.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.497 -177.196 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -118.76 82.0 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.2 m 55.76 34.37 23.25 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.365 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.6 p -112.5 35.16 3.94 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -176.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.89 59.15 0.51 Allowed Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.07 -178.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.403 ' HB2' ' CG1' ' A' ' 79' ' ' VAL . 7.8 tp10 -124.78 83.66 2.18 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.34 0.591 . . . . 0.0 110.218 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -92.93 -55.51 3.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.051 175.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.1 p -156.95 42.65 0.35 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.696 178.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.7 m -89.16 65.22 7.28 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.634 0.73 . . . . 0.0 110.681 -173.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 C--O 1.248 0.981 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.054 178.646 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.757 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -80.58 61.17 4.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.204 0.526 . . . . 0.0 111.304 -178.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -151.32 -59.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.3 mtm -105.12 159.77 15.59 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 50.0 ttm 62.21 46.45 6.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.919 0.866 . . . . 0.0 109.48 -178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.2 tp60 -80.19 -28.2 38.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.195 -175.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -41.92 94.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.202 0.525 . . . . 0.0 110.278 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 47.6 ttt180 -72.79 -41.03 65.44 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.284 173.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.493 ' O ' ' HD2' ' A' ' 5' ' ' ARG . 1.7 tmm_? -60.64 -21.83 63.16 Favored 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.2 -57.84 5.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 175.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.426 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 11.9 tp10 -56.74 -25.0 53.72 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.791 -0.641 . . . . 0.0 111.47 173.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.8 tp -69.49 -42.56 74.61 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 176.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 12' ' ' LYS . 83.8 mt -62.71 -29.85 70.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 173.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' GLU . . . -64.33 -45.97 85.53 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.254 0.549 . . . . 0.0 110.042 173.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -72.17 -19.62 61.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.465 178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 4.6 tppp? -63.27 -24.62 67.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.353 177.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.36 41.62 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.549 178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -55.21 -41.3 71.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.905 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.68 -40.98 84.37 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.831 0.348 . . . . 0.0 110.566 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.17 -35.67 81.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.58 177.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 51.3 mm-40 -67.35 -46.28 73.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.032 177.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.8 mt -57.4 -41.76 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.927 176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.6 ttpp -60.97 -20.5 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.994 0.426 . . . . 0.0 111.24 -179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 47.8 mmm-85 -64.54 -22.59 67.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.257 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.88 -38.81 83.29 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.273 0.558 . . . . 0.0 109.791 176.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -66.07 -50.62 63.48 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.845 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -53.72 -36.03 61.81 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.123 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.4 tp -69.39 -57.09 5.72 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.075 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -65.34 -25.11 67.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.932 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 32' ' ' ARG . . . -66.01 -38.39 88.34 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.27 0.557 . . . . 0.0 109.557 173.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -72.9 -31.69 64.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.129 177.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -76.65 -52.77 9.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.899 -177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.409 ' HB1' ' HB ' ' A' ' 35' ' ' THR . . . -73.0 -33.02 65.52 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.459 -178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.58 5.06 4.03 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.721 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.9 0.27 56.36 Favored Glycine 0 N--CA 1.451 -0.325 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 0.3 OUTLIER 69.58 -44.68 0.55 Allowed 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.368 1.067 . . . . 0.0 112.934 176.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.6 p -151.97 125.29 8.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 122.025 -0.422 . . . . 0.0 111.321 -175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.9 mt 57.34 76.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 121.747 0.784 . . . . 0.0 110.326 178.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.409 ' HB ' ' HB1' ' A' ' 29' ' ' ALA . 25.6 m -134.33 97.36 14.77 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.244 -176.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.96 130.56 40.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.662 2.241 . . . . 0.0 112.477 -179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.8 m -70.71 86.93 0.67 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 54.98 52.19 12.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.741 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 93.1 mt -129.48 45.01 2.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.287 178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.3 t -126.41 81.5 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.672 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 p -147.23 66.83 10.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.968 -178.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -84.44 18.58 1.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.569 2.179 . . . . 0.0 112.502 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.3 m -105.72 100.23 26.05 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.158 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -78.62 10.1 2.96 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.682 2.255 . . . . 0.0 113.246 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.5 m -98.03 122.38 41.09 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 177.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.1 151.7 36.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 179.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.49 70.73 8.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.618 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.5 m120 54.7 65.13 1.59 Allowed 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.378 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.5 m -80.08 76.36 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.148 0.499 . . . . 0.0 111.356 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 24.9 ttp85 -154.83 16.8 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.47 0.652 . . . . 0.0 109.343 173.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.45 ' HD3' ' H ' ' A' ' 52' ' ' GLU . 14.0 tpp180 -76.97 147.81 36.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.414 -176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' H ' ' HD3' ' A' ' 51' ' ' ARG . 28.4 mp0 -70.26 73.1 0.48 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.8 mt -73.78 -24.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.398 0.618 . . . . 0.0 109.952 179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -68.62 -9.7 51.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.186 -178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t 71.05 58.0 0.2 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.787 0.803 . . . . 0.0 109.848 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 56' ' ' LEU . 1.7 tm? -82.66 -33.09 27.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.329 -0.851 . . . . 0.0 109.896 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.3 mm -78.76 -7.13 10.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.132 -174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.76 -34.21 76.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.054 0.454 . . . . 0.0 110.933 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.5 p -74.33 -15.76 60.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.184 0.516 . . . . 0.0 110.497 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.5 mp -92.69 -33.94 5.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.0 tp -78.91 2.18 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.037 -174.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.0 p -89.73 -8.11 53.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 0.0 110.5 176.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 17.2 p -139.0 27.78 2.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.225 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 16.9 m -142.85 101.49 3.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.589 -175.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.62 69.74 8.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.249 0.547 . . . . 0.0 110.104 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -179.99 -179.09 48.8 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.431 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.04 85.58 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.795 0.331 . . . . 0.0 110.764 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 64.3 28.82 13.83 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.017 176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 18.9 t -162.25 128.62 2.4 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.521 -176.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -81.8 178.34 6.6 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 122.746 2.297 . . . . 0.0 112.253 175.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -88.09 -54.12 4.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.977 178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.7 mmm180 56.65 45.38 22.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 121.207 0.527 . . . . 0.0 110.461 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -88.69 59.19 4.03 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.965 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 18.6 t 57.73 60.78 2.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.181 0.515 . . . . 0.0 110.2 -178.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -137.28 108.55 8.79 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.114 -177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -71.29 71.71 2.31 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.966 2.444 . . . . 0.0 111.92 176.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.66 80.48 8.99 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.497 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 29.5 m 66.38 42.97 2.79 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.189 -176.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 41.2 t -108.89 82.73 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.696 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.449 ' HB ' HD21 ' A' ' 85' ' ' LEU . 68.6 mt -122.48 105.7 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.641 -179.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.1 m -75.14 -18.3 60.24 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.924 -175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.9 p -145.72 88.86 1.86 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.906 0.384 . . . . 0.0 110.614 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -161.54 -150.51 5.96 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.296 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -98.51 65.12 1.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.213 0.53 . . . . 0.0 110.042 -178.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.449 HD21 ' HB ' ' A' ' 80' ' ' ILE . 2.9 mm? -96.57 79.98 3.08 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.6 p -84.11 72.26 10.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.023 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.3 m 74.6 -42.6 0.5 Allowed 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.562 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.532 -178.489 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.944 -0.463 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -69.71 -20.37 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.754 0.312 . . . . 0.0 111.44 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -64.79 -31.17 72.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.965 0.412 . . . . 0.0 110.017 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.8 mtt -88.4 65.09 7.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.235 0.54 . . . . 0.0 110.308 178.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.7 ttm -142.57 47.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.44 -32.05 66.52 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.905 -1.043 . . . . 0.0 113.265 -169.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.63 -56.63 9.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.788 0.328 . . . . 0.0 111.233 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttm105 -73.96 -31.11 62.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 tpt180 -67.5 -46.72 72.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.573 -178.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -65.07 -30.36 71.31 Favored 'General case' 0 C--O 1.225 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 110.191 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.81 -43.33 79.9 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.593 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.6 tp -69.01 -44.01 73.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.892 0.377 . . . . 0.0 109.99 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.7 mt -65.07 -27.27 68.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.899 177.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.5 -48.63 74.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.615 0.721 . . . . 0.0 109.326 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -65.24 -22.62 66.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.855 -1.066 . . . . 0.0 110.925 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.1 mmmm -85.11 -42.67 14.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.382 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.31 -33.22 75.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.023 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -57.26 -32.19 66.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.577 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.31 -26.55 61.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.63 -28.86 70.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -63.87 -52.14 61.39 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.68 -43.53 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.037 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -59.48 -43.75 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.944 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -60.14 -25.27 65.36 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.465 -175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -63.7 -37.66 88.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.892 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -65.19 -50.25 66.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.637 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -50.83 -45.4 59.58 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.406 176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.6 mt -64.91 -41.37 95.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.686 0.279 . . . . 0.0 111.394 177.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -65.65 -23.77 66.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.107 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.63 -39.18 80.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.289 0.566 . . . . 0.0 109.909 177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.436 HE21 ' HB3' ' A' ' 27' ' ' GLN . 1.1 tm0? -69.49 -27.15 64.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.353 -0.84 . . . . 0.0 110.164 174.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -80.88 -49.89 10.46 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.445 -177.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.2 -50.2 35.59 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.687 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 49.74 46.8 23.65 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.367 0.603 . . . . 0.0 110.772 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 113.72 -89.61 0.52 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.687 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -136.27 74.37 1.5 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.633 0.254 . . . . 0.0 110.78 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 m 59.92 71.92 0.55 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.275 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 57.6 mt 64.84 82.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.175 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -121.59 95.84 47.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.894 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -62.98 145.1 94.21 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.538 2.159 . . . . 0.0 111.894 177.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 t -138.71 150.54 46.28 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 66.25 32.28 7.99 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.549 0.69 . . . . 0.0 110.134 -178.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.7 tp -87.23 67.44 9.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.706 0.765 . . . . 0.0 109.159 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.7 t -123.58 91.47 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.129 -0.941 . . . . 0.0 110.092 -176.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.46 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 9.6 t -139.76 63.06 24.91 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.959 175.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 38.8 Cg_endo -99.06 39.46 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.929 0 C-N-CA 123.73 2.953 . . . . 0.0 112.05 -178.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.9 m -102.62 100.85 17.37 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.318 -176.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -73.43 76.51 2.72 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.984 2.456 . . . . 0.0 112.467 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.6 t -157.54 152.7 25.89 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.327 176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -151.89 151.13 30.87 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 -178.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.35 83.89 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.032 0.444 . . . . 0.0 111.158 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -148.08 68.45 1.1 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.552 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.4 t -141.01 136.19 31.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.987 -179.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.8 tmm_? -122.96 26.95 7.9 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.478 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 7.3 tmm_? 68.8 122.63 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.137 -179.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.7 pt-20 49.16 95.4 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 122.49 1.138 . . . . 0.0 111.718 -173.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 76.2 mt -64.11 -29.31 46.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 114.89 -1.05 . . . . 0.0 110.471 -176.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -67.74 -17.28 64.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.891 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.7 m 58.15 37.95 26.36 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.966 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' O ' HG13 ' A' ' 60' ' ' ILE . 50.9 tp -62.48 -58.33 7.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.966 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.417 HD13 HD12 ' A' ' 60' ' ' ILE . 49.2 mm -69.9 -32.39 51.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.365 0.602 . . . . 0.0 109.832 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.21 -33.02 75.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.478 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.5 t -78.53 -31.6 47.6 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.034 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 56' ' ' LEU . 80.7 mt -69.66 -30.44 44.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 121.846 0.831 . . . . 0.0 109.262 175.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -91.19 9.75 29.88 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.147 177.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 t -128.02 33.09 4.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 64' ' ' SER . 3.1 p -140.65 45.53 1.81 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.199 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' A' ' 69' ' ' SER . 38.9 t 74.28 137.86 0.06 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.675 -178.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 58.99 67.31 0.93 Allowed 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.109 178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -165.51 -102.28 0.16 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.927 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -131.39 41.84 3.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.93 0.395 . . . . 0.0 110.424 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -146.91 -68.19 0.26 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.772 178.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.578 ' O ' ' HA ' ' A' ' 64' ' ' SER . 29.6 p -176.78 127.57 0.32 Allowed Pre-proline 0 C--N 1.324 -0.502 0 C-N-CA 122.441 0.296 . . . . 0.0 110.252 179.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -73.37 140.34 30.21 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 122.055 1.837 . . . . 0.0 110.462 170.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -59.74 -38.63 82.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.084 -179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 72' ' ' ARG . 4.1 tpm_? 49.66 64.95 1.55 Allowed 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.803 0.69 . . . . 0.0 111.105 174.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.98 173.97 15.86 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.394 -178.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -126.85 93.02 3.66 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.98 0.39 . . . . 0.0 110.174 -178.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 0.0 OUTLIER -159.42 143.51 10.99 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.519 177.148 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 75' ' ' ARG . 1.7 Cg_endo -83.73 95.38 0.76 Allowed 'Trans proline' 0 N--CA 1.457 -0.628 0 C-N-CA 122.508 2.138 . . . . 0.0 112.125 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -85.01 74.46 10.52 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.956 0.408 . . . . 0.0 110.274 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 7.4 t -141.44 98.68 3.41 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.147 -178.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.1 t -102.92 79.48 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.655 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.3 mt -128.9 71.1 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.11 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.6 t -139.42 31.97 2.1 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.262 0.553 . . . . 0.0 110.218 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.8 m -156.35 129.91 8.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.94 44.04 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.771 -0.728 . . . . 0.0 111.85 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 65.06 28.3 12.39 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 122.732 0.413 . . . . 0.0 111.026 -178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -82.85 136.41 34.63 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.38 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.9 p -114.18 26.79 9.99 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.269 0.557 . . . . 0.0 110.214 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.3 m -149.11 -78.04 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.257 -178.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--O 1.245 0.863 0 O-C-N 124.072 0.857 . . . . 0.0 112.21 179.187 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.785 0 N-CA-C 112.789 -0.124 . . . . 0.0 112.789 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -73.98 6.0 3.76 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 26.9 t60 -112.61 -2.98 14.42 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 94.9 mmm -112.68 22.0 15.0 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.957 -175.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttp 58.03 59.47 3.1 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.61 0.719 . . . . 0.0 109.351 -175.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' -3' ' ' GLY . 57.3 tt0 -66.28 -32.97 74.71 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.211 -169.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.91 -50.05 75.51 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.922 0.392 . . . . 0.0 110.795 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -73.85 -27.25 61.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.534 178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HB3' ' HA ' ' A' ' 2' ' ' GLN . 16.1 tpp180 -65.98 -50.16 65.28 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.156 179.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -67.56 -28.02 67.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 120.897 0.379 . . . . 0.0 110.559 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.61 -43.35 80.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.116 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.1 tp -66.64 -39.85 88.44 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 120.877 0.37 . . . . 0.0 110.291 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.5 mt -65.5 -32.48 74.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.841 175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.19 90.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.525 0.678 . . . . 0.0 109.77 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -72.4 -29.01 63.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.329 176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -33.28 64.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.942 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.44 -42.97 88.56 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.61 175.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.8 mmm180 -64.6 -38.98 92.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.818 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.35 -39.43 94.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.288 177.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.85 -32.99 74.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.584 175.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -66.88 -47.14 72.78 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.922 177.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.9 -48.95 85.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.844 176.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -61.2 -24.68 66.51 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.485 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.51 ' HA ' ' HE ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -61.57 -23.38 65.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.087 -178.752 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -60.94 -24.77 66.31 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.936 -178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.56 -52.56 51.46 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 176.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -61.36 -29.03 69.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.362 -0.836 . . . . 0.0 111.235 178.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 tp -70.42 -48.09 57.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.65 0.738 . . . . 0.0 109.125 175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -63.08 -31.31 72.42 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 114.665 -1.152 . . . . 0.0 111.691 178.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.49 -28.27 69.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.217 0.532 . . . . 0.0 110.654 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 27' ' ' GLN . 6.3 tt0 -70.91 -56.78 5.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.145 175.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -60.49 -37.58 81.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.002 -0.999 . . . . 0.0 112.838 178.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -71.75 -38.29 70.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.383 0.611 . . . . 0.0 110.733 177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.94 27.72 16.05 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 114.54 -1.209 . . . . 0.0 111.87 171.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.28 5.16 87.53 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.585 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.527 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 mmp_? -105.3 39.43 1.73 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.849 0.356 . . . . 0.0 111.149 -179.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.0 p -135.63 48.86 2.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.451 0.643 . . . . 0.0 110.368 178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.496 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 32.7 mt -116.48 82.64 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.344 -179.032 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.4 m -111.85 90.6 13.39 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.817 -177.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 3.6 Cg_exo -74.28 89.24 1.07 Allowed 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.68 2.254 . . . . 0.0 111.478 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -91.49 -23.55 19.94 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.999 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.25 76.0 1.12 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.324 0.583 . . . . 0.0 109.881 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.411 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.6 OUTLIER -86.47 76.68 9.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.438 0.637 . . . . 0.0 109.659 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.3 t -116.81 86.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.504 177.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.3 m -134.97 70.01 70.56 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.607 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.4 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 3.4 Cg_exo -80.82 43.43 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.092 2.528 . . . . 0.0 111.947 -178.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -109.36 99.81 38.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.536 -177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 85.8 Cg_endo -98.91 49.25 0.07 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 123.268 2.646 . . . . 0.0 112.251 178.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.2 m -137.75 87.08 2.23 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.174 -178.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 60.45 60.95 1.86 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.692 -179.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.14 39.18 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.113 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.74 94.9 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.056 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 27.6 t 73.19 127.57 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.796 0.685 . . . . 0.0 110.569 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -99.37 23.49 9.23 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.634 0.731 . . . . 0.0 109.647 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' A' ' 52' ' ' GLU . 6.1 tmm_? -75.16 105.21 6.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.145 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 51' ' ' ARG . 33.2 mt-10 -163.35 99.81 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 177.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 53' ' ' ILE . 32.7 mt -90.19 10.35 2.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.729 0.776 . . . . 0.0 110.443 -175.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.63 -32.17 73.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.53 176.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.4 p -154.85 -30.57 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.18 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.2 tp 66.89 11.22 8.18 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.53 174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.432 HD12 ' HB3' ' A' ' 70' ' ' PRO . 39.1 mm -81.9 -0.06 4.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 121.756 0.789 . . . . 0.0 109.494 179.273 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.43 -32.49 74.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.665 -179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.1 m -72.89 -20.25 61.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.357 0.598 . . . . 0.0 109.975 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 2.0 mp -89.07 -29.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.206 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 57' ' ' ILE . 78.1 mt -73.91 -23.52 59.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.055 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -103.74 -9.34 19.17 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.29 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.8 m 58.1 35.74 25.36 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.807 -178.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 5.5 p -93.31 72.19 4.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.931 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 60.95 35.83 18.97 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.582 178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.94 -95.37 2.21 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.945 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 52.53 69.39 0.69 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 122.696 0.398 . . . . 0.0 111.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -96.54 4.76 51.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.906 0.384 . . . . 0.0 110.54 178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.0 t 61.18 77.73 0.35 Allowed Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.718 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.432 ' HB3' HD12 ' A' ' 57' ' ' ILE . 63.9 Cg_endo -75.3 52.86 3.29 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.525 2.15 . . . . 0.0 111.77 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 30.0 mmm180 -136.0 42.69 2.59 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.691 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -107.63 47.56 0.89 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.778 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 74.12 40.6 41.93 Favored Glycine 0 CA--C 1.518 0.272 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.637 -177.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.4 p -111.19 38.5 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.056 0.455 . . . . 0.0 110.849 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.7 tpp180 -166.04 87.0 0.91 Allowed Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.539 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -79.47 53.73 4.86 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.916 2.411 . . . . 0.0 112.791 -177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 54.4 85.34 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.008 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 14.4 m -91.71 45.92 1.25 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.143 0.497 . . . . 0.0 110.535 -177.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.8 t -88.62 78.31 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.468 0.652 . . . . 0.0 109.545 178.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 63.4 mt -102.95 88.16 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.576 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 p -71.77 -25.34 61.99 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.831 -175.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.3 t -159.21 81.73 0.77 Allowed 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 121.696 0.76 . . . . 0.0 110.756 -177.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -77.97 -47.81 8.21 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.52 -0.848 . . . . 0.0 111.391 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -142.42 59.11 1.45 Allowed 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 177.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 59.2 tp -136.2 104.06 5.53 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.762 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.5 p -107.06 36.04 2.81 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.495 0.665 . . . . 0.0 110.332 177.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 m -132.59 105.35 7.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.01 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 N--CA 1.479 0.976 0 O-C-N 124.388 1.055 . . . . 0.0 111.783 -176.841 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 111.936 -0.466 . . . . 0.0 111.936 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -109.26 35.53 3.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.773 0.32 . . . . 0.0 110.482 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 46.5 m80 66.83 -82.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 63.5 mtt 49.24 53.71 12.17 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.122 0.486 . . . . 0.0 112.029 177.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.522 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 56.5 ttm -87.59 69.36 9.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.313 0.578 . . . . 0.0 109.717 178.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.91 -43.74 16.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.229 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.33 -51.82 67.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.762 -174.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -74.28 -28.51 61.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.86 -176.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.522 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -71.16 -47.95 54.73 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.12 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -63.34 -51.46 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.026 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -56.67 -29.28 62.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.715 175.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.6 tp -69.14 -50.16 50.34 Favored 'General case' 0 C--O 1.222 -0.362 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.12 -30.12 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.033 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.53 91.51 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.386 0.612 . . . . 0.0 110.084 175.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -79.53 -22.2 44.23 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.546 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -82.81 -20.84 34.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.274 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.62 -20.24 66.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.078 178.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.0 mtm180 -60.33 -27.19 67.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.09 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.9 mt -66.78 -46.43 75.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.765 0.317 . . . . 0.0 110.368 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.98 74.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 110.44 175.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -63.11 -48.62 77.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.38 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.28 -43.23 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.777 174.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -57.01 -28.35 62.39 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.577 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 tpp85 -62.04 -21.75 65.17 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 -178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 22.4 pt20 -58.52 -30.29 66.97 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.878 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -63.95 -54.44 34.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.436 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -63.2 -31.08 72.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.957 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.4 mt -70.04 -59.42 2.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.152 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -61.2 -19.81 62.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.954 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.57 -50.61 62.52 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.789 0.328 . . . . 0.0 110.386 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -75.44 -29.87 59.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.984 0.421 . . . . 0.0 110.572 178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -77.21 -60.47 2.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.614 -176.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.56 -37.92 62.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.734 0.302 . . . . 0.0 110.845 -178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 13.91 7.77 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.694 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.47 -42.52 1.37 Allowed Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.355 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 43.35 82.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.037 0.935 . . . . 0.0 112.688 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.8 m 74.34 129.68 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 115.216 -0.902 . . . . 0.0 112.062 176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 42.7 mt 60.84 67.21 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.431 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.4 m -126.84 82.11 68.13 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.747 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HB3' HG21 ' A' ' 40' ' ' VAL . 36.5 Cg_exo -58.93 113.62 1.65 Allowed 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 123.097 2.532 . . . . 0.0 112.601 -176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.7 t -146.5 50.58 1.14 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.54 -0.755 . . . . 0.0 108.968 178.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.569 ' H ' HG23 ' A' ' 40' ' ' VAL . 36.8 tt0 -138.6 67.31 1.41 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.893 -175.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 94.3 mt 52.24 45.38 28.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.503 -179.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 38' ' ' GLU . 61.5 t -85.63 86.73 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.627 -172.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.8 t -158.79 84.08 2.49 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 114.81 -1.087 . . . . 0.0 108.919 175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HA ' ' OD1' ' A' ' 48' ' ' ASN . 16.6 Cg_exo -68.95 63.68 1.34 Allowed 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.393 2.729 . . . . 0.0 112.391 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.5 m -102.5 101.49 20.35 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.851 177.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 22.0 Cg_exo -66.68 74.43 0.41 Allowed 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.916 2.41 . . . . 0.0 112.984 -177.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.3 t -157.59 53.09 0.47 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 0.2 OUTLIER 72.61 145.75 0.07 Allowed 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.588 -178.094 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.99 48.88 4.9 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 121.393 0.616 . . . . 0.0 110.763 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.533 ' OD1' ' HA ' ' A' ' 42' ' ' PRO . 31.9 t30 -133.69 90.47 2.71 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.968 179.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.5 m -97.51 31.13 2.64 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.368 0.604 . . . . 0.0 110.276 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.425 ' HA ' ' HE ' ' A' ' 50' ' ' ARG . 1.8 mmp_? -118.21 80.16 1.48 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.921 179.386 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -161.11 -84.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.404 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.6 ' HB3' ' OG ' ' A' ' 55' ' ' SER . 31.3 mt-10 -164.34 76.97 0.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.09 0.471 . . . . 0.0 110.887 -175.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 98.1 mt -77.53 -29.5 16.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.465 0.65 . . . . 0.0 109.723 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -65.82 -43.73 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.535 -176.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.6 ' OG ' ' HB3' ' A' ' 52' ' ' GLU . 13.5 p -80.76 -22.16 40.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.892 0.377 . . . . 0.0 110.294 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -64.8 -47.38 78.28 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 47.6 mm -69.62 -34.28 60.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.861 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.81 -31.68 72.79 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.583 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.7 m -68.51 -27.19 65.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.236 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.0 mt -79.56 -37.85 18.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 CA-C-O 121.49 0.662 . . . . 0.0 109.627 176.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.536 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.8 tm? -68.57 -21.93 64.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.973 -178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.5 m -113.82 17.68 17.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 23.0 t -171.79 108.32 0.24 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.819 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 50.1 m 60.13 68.16 0.8 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 121.125 0.488 . . . . 0.0 110.728 -176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.25 130.54 52.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.306 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 144.53 111.69 0.77 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.467 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.52 31.52 0.92 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.149 0.5 . . . . 0.0 110.677 178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 p-10 -129.48 21.59 5.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 53.71 69.83 2.05 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.805 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.52 159.33 35.89 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.125 1.883 . . . . 0.0 111.75 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 -75.69 90.41 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 177.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -78.73 74.75 5.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.42 0.628 . . . . 0.0 110.296 -174.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -152.9 73.24 0.26 Allowed Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.493 177.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.0 m -79.33 68.0 5.21 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.244 0.545 . . . . 0.0 110.686 -178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.3 mtm180 -134.49 152.29 77.63 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.328 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -77.1 70.25 6.75 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.236 1.957 . . . . 0.0 111.965 178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.43 166.88 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.932 178.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.8 m -147.89 95.96 2.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.9 0.381 . . . . 0.0 110.895 178.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 58.1 t -78.15 78.65 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 84.6 mt -134.32 123.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.349 -0.842 . . . . 0.0 109.861 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.3 m -78.27 52.46 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.302 0.572 . . . . 0.0 110.969 179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 23.1 m -145.05 67.97 1.24 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 146.03 -21.53 1.77 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -173.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 55.66 66.8 1.12 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 114.327 -0.936 . . . . 0.0 111.265 174.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.27 -36.33 83.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.16 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.4 ' O ' ' HB ' ' A' ' 87' ' ' THR . 10.9 p -141.37 49.06 1.64 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.296 176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 86' ' ' SER . 38.7 m 73.21 -48.51 0.68 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.209 -167.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.249 1.063 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 170.9 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.653 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.81 -75.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 123.423 0.689 . . . . 0.0 112.011 178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -114.03 -62.18 1.63 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.482 -179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mmm 50.71 45.31 27.18 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.424 0.631 . . . . 0.0 110.34 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 ttm -166.39 64.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.158 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.84 -25.71 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.933 -175.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.9 -51.71 68.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.932 0.396 . . . . 0.0 110.785 178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' A' ' 7' ' ' GLU . 24.0 ttt180 -75.03 -33.14 61.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.753 178.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.403 ' CZ ' HD11 ' A' ' 9' ' ' LEU . 3.2 tmt_? -63.69 -32.27 73.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.934 0.397 . . . . 0.0 110.01 179.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -63.9 -22.9 67.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.961 177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.45 ' HB3' ' O ' ' A' ' 4' ' ' ARG . 7.6 tp10 -68.45 -33.86 74.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.436 0.636 . . . . 0.0 109.693 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -71.43 -45.66 62.11 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 -177.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' A' ' 5' ' ' ARG . 84.2 mt -65.24 -38.02 89.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.066 177.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.38 93.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.14 0.495 . . . . 0.0 110.343 177.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -70.29 -25.05 63.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.775 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -39.83 73.02 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.967 0.413 . . . . 0.0 110.005 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.69 -37.14 86.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.217 0.532 . . . . 0.0 110.282 174.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 17.3 mmm180 -58.72 -44.3 90.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.882 174.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.57 -38.97 89.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.96 0.409 . . . . 0.0 110.644 178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -44.33 92.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.696 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -66.48 -39.02 88.54 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.905 0.383 . . . . 0.0 110.31 -178.678 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.637 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 93.8 mt -61.03 -43.07 95.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.64 173.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.6 ttpp -61.71 -35.63 78.59 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.749 176.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 tpp85 -63.51 -46.09 87.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.668 -177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.637 ' HG3' ' O ' ' A' ' 18' ' ' ILE . 5.3 pp0? -60.92 -28.47 68.96 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.726 0.298 . . . . 0.0 110.765 -175.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.06 -55.27 23.38 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.4 mm-40 -62.57 -27.23 69.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.1 178.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.7 mt -69.27 -59.29 3.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.234 175.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -59.5 -26.59 65.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.227 179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.62 -45.36 83.39 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.86 0.362 . . . . 0.0 110.157 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.76 -31.44 59.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.709 178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.466 ' O ' ' HA ' ' A' ' 34' ' ' ILE . 28.4 mt-30 -75.66 -53.04 9.19 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.322 -176.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.526 ' HA ' ' H ' ' A' ' 34' ' ' ILE . . . -72.51 -37.4 68.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.057 0.456 . . . . 0.0 110.71 179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.46 18.47 11.07 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.723 174.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 110.56 -36.92 3.99 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.904 -0.665 . . . . 0.0 113.144 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.422 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 5.7 tpm_? -142.06 77.04 1.57 Allowed 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.131 0.465 . . . . 0.0 112.179 -174.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.8 m 47.55 57.9 5.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.747 171.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 76.5 mt 70.24 94.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.109 177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.2 m -104.36 95.23 7.99 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.962 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 34' ' ' ILE . 11.3 Cg_exo -71.51 79.72 1.47 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.94 2.427 . . . . 0.0 112.514 -179.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 m -100.46 84.67 2.82 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.29 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 59.91 66.51 0.97 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.473 0.654 . . . . 0.0 110.318 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 76.4 mt -110.53 71.13 0.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.601 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t 59.84 88.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 CA-C-O 121.627 0.727 . . . . 0.0 110.982 178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.6 m -147.95 84.87 6.71 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.784 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.412 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 2.3 Cg_endo -81.1 51.39 3.91 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.224 2.616 . . . . 0.0 111.834 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.458 HG22 ' H ' ' A' ' 46' ' ' ARG . 9.1 m -103.15 104.59 41.42 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.648 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 7.9 Cg_exo -74.27 83.76 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.653 2.235 . . . . 0.0 112.361 178.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 69.7 m 57.75 26.86 13.6 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.891 178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' H ' HG22 ' A' ' 43' ' ' THR . 16.8 tpp180 59.09 18.43 6.39 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.057 -179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.44 91.88 8.34 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.493 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 58.9 t30 54.13 68.34 0.87 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 121.429 0.633 . . . . 0.0 110.562 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -143.6 75.79 1.49 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.181 -177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 56.5 40.52 29.51 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.736 0.779 . . . . 0.0 109.781 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.536 ' HD2' ' HG2' ' A' ' 52' ' ' GLU . 6.8 tmm_? -76.2 97.41 4.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.654 -178.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.536 ' HG2' ' HD2' ' A' ' 51' ' ' ARG . 11.2 pt-20 49.51 97.82 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.678 1.191 . . . . 0.0 113.162 -178.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 73.7 mt -71.3 -11.5 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.804 172.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.82 -21.65 66.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.288 -1.324 . . . . 0.0 110.351 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 m -135.89 41.68 2.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.151 0.5 . . . . 0.0 110.003 -179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 tt -124.14 -41.11 2.22 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 -175.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.7 mm -85.84 -28.35 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.605 -173.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -63.36 -35.65 81.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.599 -175.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -71.13 -35.89 71.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.014 0.435 . . . . 0.0 110.687 178.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 63.4 mt -71.79 -33.66 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.562 0.696 . . . . 0.0 109.354 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.609 ' HA ' ' HB3' ' A' ' 65' ' ' ALA . 53.3 tp -75.98 -11.61 59.99 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.727 -179.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 t -108.43 16.98 22.6 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.466 ' O ' ' HD2' ' A' ' 75' ' ' ARG . 15.5 p -140.88 -54.32 0.49 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.366 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.6 p -161.42 74.98 0.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.869 -175.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.609 ' HB3' ' HA ' ' A' ' 61' ' ' LEU . . . -142.13 65.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.038 0.447 . . . . 0.0 110.912 176.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -158.52 171.21 35.26 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.615 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.29 -8.02 56.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.824 0.345 . . . . 0.0 111.348 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -136.44 62.67 1.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 -178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.1 p -115.94 87.69 19.4 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.143 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -89.89 -169.83 0.38 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.818 2.345 . . . . 0.0 111.275 176.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.498 HH11 ' ND2' ' A' ' 77' ' ' ASN . 1.5 tmm_? -65.3 -51.75 58.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' CD ' ' H ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER -97.06 133.37 41.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.395 179.733 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 167.65 -119.01 0.82 Allowed Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.942 -0.646 . . . . 0.0 111.616 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 37.1 m -109.21 57.12 0.61 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.335 0.588 . . . . 0.0 110.397 178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' HD2' ' O ' ' A' ' 63' ' ' SER . 63.7 ttt180 -147.4 122.9 5.3 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.348 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.02 83.42 1.83 Allowed 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.024 1.816 . . . . 0.0 110.893 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.498 ' ND2' HH11 ' A' ' 71' ' ' ARG . 33.9 m-80 -57.63 112.53 1.47 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.874 179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 18.0 t 64.58 89.3 0.09 Allowed 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.927 0.767 . . . . 0.0 109.349 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 6.2 t -77.97 72.53 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.101 -174.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 49.5 mt -116.79 70.98 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.404 0.621 . . . . 0.0 109.723 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.4 m 56.55 27.85 12.99 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.121 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.9 p -101.71 -79.18 0.52 Allowed 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.406 -176.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -86.84 22.02 16.29 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.583 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.97 82.74 1.21 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.454 0.645 . . . . 0.0 109.533 179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.52 42.02 0.89 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.283 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.9 p -145.56 29.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.344 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.0 m -123.09 -56.73 1.73 Allowed 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.602 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.948 -0.548 . . . . 0.0 110.734 178.625 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 112.291 -0.324 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -138.44 38.62 2.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.044 0.45 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -76.89 -31.22 56.59 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.26 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 74.2 mtm -98.1 177.7 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.648 179.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 41.8 ttp -135.79 30.98 3.07 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -64.46 -31.16 72.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.672 -174.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.8 -54.35 43.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.857 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.8 ttp85 -73.61 -32.75 64.23 Favored 'General case' 0 C--O 1.215 -0.749 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.267 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.472 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -49.46 -41.9 41.58 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.815 0.34 . . . . 0.0 110.598 176.712 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.45 0.643 . . . . 0.0 110.105 178.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -62.68 -35.17 78.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.719 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.6 tp -72.98 -33.69 65.98 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -175.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.26 -39.77 86.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.929 173.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.48 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.468 175.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -69.44 -32.33 71.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.484 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -64.62 -32.8 74.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.541 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.8 -47.01 88.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 120.945 0.403 . . . . 0.0 109.983 175.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -62.9 -42.99 99.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.024 175.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.46 -41.39 97.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.75 92.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.531 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 21' ' ' GLN . 12.6 tp10 -62.28 -48.96 77.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.16 177.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 21' ' ' GLN . 96.9 mt -62.02 -39.47 83.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.7 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -60.93 -44.12 97.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.313 175.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 24' ' ' LEU . 20.5 tpp85 -64.54 -31.5 72.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.61 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 29.4 mt-30 -58.84 -42.01 88.29 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.992 0.425 . . . . 0.0 109.893 176.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -62.05 -56.96 13.64 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.752 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -54.5 -41.52 69.71 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.767 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -69.84 -56.43 7.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.949 -177.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 ttp180 -63.33 -30.43 71.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.264 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.26 -41.06 94.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.697 0.284 . . . . 0.0 110.258 177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -75.06 -24.26 58.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.272 0.558 . . . . 0.0 109.677 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -71.59 -43.44 66.26 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.959 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 30' ' ' ALA . . . -74.77 -53.9 8.34 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.366 177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB2' ' O ' ' A' ' 29' ' ' ALA . . . 159.47 -49.92 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.509 1.131 . . . . 0.0 109.729 178.044 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -168.89 77.59 0.1 Allowed Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.996 -177.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 32' ' ' ARG . 61.2 mmt-85 -122.78 39.08 4.03 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.297 0.57 . . . . 0.0 111.134 178.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.1 p -114.41 50.73 0.93 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 172.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 81.3 mt -91.38 119.45 38.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 114.309 -1.314 . . . . 0.0 109.959 -175.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.5 m -60.89 112.18 5.3 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.401 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -56.3 107.06 0.24 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.387 2.058 . . . . 0.0 111.846 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -99.93 130.62 46.13 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.262 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 61.62 53.83 3.17 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.892 0.853 . . . . 0.0 109.437 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.2 tp -91.04 48.35 1.51 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.241 -0.891 . . . . 0.0 109.57 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.7 t -126.61 83.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.883 -177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.2 m -152.28 76.45 7.01 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.413 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -88.75 33.5 0.38 Allowed 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.256 2.638 . . . . 0.0 112.304 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.4 m -111.79 100.01 47.05 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.846 -176.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -69.89 108.27 2.07 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.57 2.18 . . . . 0.0 111.612 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.6 t -128.35 115.8 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.737 -176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -166.12 -37.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.129 0.49 . . . . 0.0 110.334 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.33 74.18 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.255 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -103.31 37.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.388 -175.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.7 m 61.62 77.69 0.32 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.627 0.727 . . . . 0.0 110.144 -175.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.64 108.74 12.27 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.557 -176.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 52' ' ' GLU . 12.2 tpp180 -77.79 63.9 2.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.656 0.741 . . . . 0.0 110.269 177.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 51' ' ' ARG . 16.8 mm-40 -167.49 104.19 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.429 ' O ' HG12 ' A' ' 57' ' ' ILE . 92.2 mt -55.9 -33.79 35.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.976 -169.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -65.35 -34.82 79.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.982 -176.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 p -104.3 -14.65 15.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.011 0.434 . . . . 0.0 110.926 -178.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -66.4 -42.95 87.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.701 175.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.429 HG12 ' O ' ' A' ' 53' ' ' ILE . 47.3 mm -68.02 -30.34 47.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 177.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.91 -37.41 81.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.966 177.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 44.1 p -73.38 -25.1 60.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.013 0.435 . . . . 0.0 110.802 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.9 mt -78.95 -31.58 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 173.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 43.0 tp -66.82 -12.54 59.39 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.671 -1.149 . . . . 0.0 111.006 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.3 p -118.97 18.89 13.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.508 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 40.2 p -147.53 -36.25 0.22 Allowed 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.1 m -137.79 23.71 2.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.0 111.787 -176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 61' ' ' LEU . . . -112.34 125.37 54.11 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.452 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 130.38 -61.95 0.65 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.02 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.34 31.42 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.608 0.242 . . . . 0.0 110.98 -179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.458 ' N ' HD22 ' A' ' 68' ' ' ASN . 0.9 OUTLIER 56.08 45.15 24.11 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.502 179.584 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 15.2 m 59.67 81.26 0.25 Allowed Pre-proline 0 C--O 1.234 0.267 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.149 -175.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -61.09 141.42 93.91 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.566 2.178 . . . . 0.0 112.313 -173.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -82.66 67.24 8.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.557 0.694 . . . . 0.0 110.079 -176.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -84.56 64.58 8.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.263 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.0 94.77 1.19 Allowed Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.145 -179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.1 m -82.29 66.0 7.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.219 0.533 . . . . 0.0 109.866 177.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 -168.04 92.61 0.64 Allowed Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.536 -0.756 . . . . 0.0 109.41 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -67.82 95.45 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.279 1.986 . . . . 0.0 112.309 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -87.34 81.32 7.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.407 178.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.2 m 58.95 61.53 2.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.227 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.3 t -89.05 75.49 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.9 mt -115.79 102.53 13.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.71 -173.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 p -87.05 -48.58 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.7 p -139.72 39.82 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.238 0.542 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 87.11 -52.75 4.4 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.42 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 55.65 34.81 24.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.251 0.548 . . . . 0.0 110.955 -177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 43.6 tp -118.98 2.2 11.49 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 176.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.1 t -157.79 39.28 0.27 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.652 -1.158 . . . . 0.0 108.615 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.1 m -129.58 85.65 2.33 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.441 -176.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.025 178.463 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 112.183 -0.367 . . . . 0.0 112.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -89.43 109.5 20.42 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.398 . . . . 0.0 110.657 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -96.52 -69.54 0.75 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.597 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 24.1 mmt -107.17 56.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.115 0.483 . . . . 0.0 110.776 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.0 mtm -135.5 -171.56 2.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.654 178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -50.4 -39.33 46.7 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.72 0.637 . . . . 0.0 112.355 -175.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.64 -34.64 71.42 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 35.3 ttp85 -70.55 -31.89 69.12 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -65.0 -37.06 86.42 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -66.47 -55.25 16.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.82 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' ' HD2' ' A' ' 11' ' ' LYS . 44.1 tt0 -60.42 -29.33 68.92 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.659 176.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.4 tp -67.46 -53.18 31.16 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.8 mt -57.78 -29.4 64.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.371 173.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.28 -42.87 96.21 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.582 ' HD2' ' O ' ' A' ' 7' ' ' GLU . 1.1 mpmm? -69.58 -37.4 76.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.327 177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -63.75 -30.7 71.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.983 178.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.28 -29.95 64.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.347 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -61.88 -40.8 96.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 177.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.83 -40.42 83.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.112 0.482 . . . . 0.0 109.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.75 -33.04 75.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.446 175.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -65.29 -48.42 73.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.974 177.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.92 -45.04 95.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.756 177.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.66 -42.44 83.53 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.72 178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.1 ttp85 -59.84 -54.55 44.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.88 -31.17 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.265 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -63.46 -62.48 1.65 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.612 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -34.2 67.37 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.532 175.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 26.0 tp -63.26 -43.05 99.07 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.572 176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -64.47 -25.51 68.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.549 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -69.19 -43.03 75.01 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 177.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.7 -24.5 61.82 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.57 176.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 27.0 mt-30 -79.51 -53.96 6.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.541 -179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.1 -34.11 65.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.432 -178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 70.09 27.39 4.3 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.713 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -172.74 64.97 0.13 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.386 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -69.93 -16.77 63.26 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 p -125.4 96.52 4.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.251 0.548 . . . . 0.0 110.789 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 73.5 mt -115.27 85.95 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.562 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 30.6 m -120.39 93.52 48.28 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.257 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.82 107.71 0.42 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.882 2.388 . . . . 0.0 112.262 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.2 t -161.58 136.92 7.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.54 -178.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -121.43 46.32 2.09 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.692 0.758 . . . . 0.0 109.811 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.0 55.69 1.11 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 178.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 39.4 t -89.77 75.25 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.4 -177.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.8 t -165.6 91.2 0.89 Allowed Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.318 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -92.33 34.65 0.25 Allowed 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.034 2.489 . . . . 0.0 111.177 174.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 16.8 m -111.53 107.11 56.93 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.041 -175.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -72.1 71.76 2.83 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.065 1.843 . . . . 0.0 111.091 172.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.4 m -57.07 102.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.229 -178.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.0 ttm180 61.33 78.58 0.28 Allowed 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.901 0.751 . . . . 0.0 110.677 177.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 77.21 5.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.283 0.563 . . . . 0.0 110.607 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -115.47 151.16 35.29 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.632 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m 59.43 72.26 0.54 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 121.347 0.594 . . . . 0.0 110.219 -178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.421 ' NE ' ' HA ' ' A' ' 50' ' ' ARG . 4.5 mmp_? -124.69 85.57 2.43 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.888 -178.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 59.15 37.98 23.83 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 61.58 81.33 0.2 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.507 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.403 ' HA ' HD12 ' A' ' 56' ' ' LEU . 92.2 mt -62.5 -25.74 38.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.543 -177.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.94 -10.8 53.02 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.489 -179.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.6 p -131.4 25.4 4.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.881 0.372 . . . . 0.0 111.622 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 53' ' ' ILE . 54.4 mt -94.33 -34.96 12.61 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.3 mm -88.51 -18.9 7.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.881 0.372 . . . . 0.0 111.314 -172.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.425 ' HB3' ' OG ' ' A' ' 64' ' ' SER . 14.2 m-20 -64.54 -33.7 76.52 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.207 0.527 . . . . 0.0 111.406 -176.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.3 p -77.29 -27.2 52.96 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.318 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.26 -25.06 16.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.8 tp -80.29 -6.1 57.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.796 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 49.3 m 66.53 12.48 8.76 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.905 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.0 p -86.46 -37.77 17.96 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 177.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.425 ' OG ' ' HB3' ' A' ' 58' ' ' ASP . 12.1 m -105.29 50.53 0.78 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.726 176.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.75 113.77 5.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.574 -177.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 156.82 133.01 1.56 Allowed Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.149 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -98.69 36.63 1.62 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.279 0.561 . . . . 0.0 110.518 178.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -137.19 -69.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.589 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 16.9 p -161.46 80.77 2.03 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.561 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -74.19 165.81 31.04 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.116 1.878 . . . . 0.0 111.038 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 -82.19 55.34 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.5 0.667 . . . . 0.0 110.479 -175.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.1 mmm180 -143.53 26.24 1.61 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.983 -1.008 . . . . 0.0 109.368 177.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 165.73 82.08 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.004 -176.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 23.2 t -151.88 73.05 1.04 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 -178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 41.5 ttp180 -167.68 135.68 1.95 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.219 -174.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 75' ' ' ARG . 18.0 Cg_exo -67.08 94.66 0.35 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.432 2.088 . . . . 0.0 111.258 174.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -116.84 82.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.615 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 47.4 m 60.92 37.28 18.44 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.151 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.3 t -127.37 58.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.858 0.837 . . . . 0.0 109.019 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 51.3 mt -103.59 87.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.869 -178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.3 m -78.85 -21.51 47.49 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.868 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 12.4 t -175.35 169.5 3.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.81 -26.06 9.7 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.303 178.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -150.1 83.28 1.38 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.114 0.483 . . . . 0.0 109.783 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -149.51 65.59 1.01 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.188 178.307 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.4 m -135.17 49.33 2.21 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.898 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 30.2 m 71.91 88.3 0.1 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.942 178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.867 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.793 -179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.773 -0.531 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -79.84 99.94 7.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.053 0.454 . . . . 0.0 110.753 -179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -85.87 -18.81 31.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.507 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 85.9 mtp -115.02 -56.15 2.4 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.728 -178.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt 55.58 76.92 0.25 Allowed 'General case' 0 C--O 1.237 0.432 0 CA-C-O 121.42 0.629 . . . . 0.0 110.101 -176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.5 tp60 -63.33 -22.65 67.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.819 -175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.11 -43.67 95.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.004 176.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 8' ' ' LEU . 42.6 ttm180 -73.14 -36.97 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.142 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -66.7 -22.5 66.07 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.475 -178.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.65 -52.15 64.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.51 178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -69.38 -30.45 68.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.589 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 4' ' ' ARG . 69.8 mt -67.28 -47.14 71.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.248 -178.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.13 -35.01 78.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.535 176.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.44 96.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.231 0.539 . . . . 0.0 109.983 173.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.7 ttmm -62.26 -34.51 76.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.231 -0.895 . . . . 0.0 110.597 177.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -69.51 -37.93 77.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.926 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.72 72.06 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.515 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 8.8 mmm180 -58.72 -29.15 66.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.512 178.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.0 mt -57.0 -19.02 16.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.62 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.582 ' O ' ' HD2' ' A' ' 20' ' ' ARG . . . -60.65 -29.47 69.29 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.057 178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 12.9 pt-20 -59.2 -47.49 85.13 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 176.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 92.6 mt -62.1 -40.68 88.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.561 174.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -58.33 -38.84 77.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.847 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.582 ' HD2' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -65.44 -25.02 67.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.082 -0.508 . . . . 0.0 112.011 -179.361 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -60.82 -41.82 96.46 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.985 0.422 . . . . 0.0 110.161 -179.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 -56.8 -46.11 81.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.833 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.93 -31.61 64.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.327 0.584 . . . . 0.0 110.554 -178.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.57 -42.91 81.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.805 177.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.4 ttp180 -63.84 -27.03 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.749 176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.3 -26.8 65.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.933 0.397 . . . . 0.0 110.247 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -82.27 -20.49 37.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.711 0.767 . . . . 0.0 109.66 174.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -80.71 -49.26 11.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.673 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.26 -51.36 21.29 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.847 174.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.25 32.25 20.0 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.161 178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 74.15 -5.56 25.96 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.646 -178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -112.61 45.55 1.3 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.377 0.608 . . . . 0.0 110.132 -177.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 32.3 t -159.58 91.29 0.98 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.282 -0.872 . . . . 0.0 108.847 178.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.6 mt -124.06 80.07 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.051 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.1 m -130.59 78.35 74.17 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.324 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 79.31 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.952 2.435 . . . . 0.0 112.048 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.0 m 58.08 64.15 1.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.244 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -126.59 70.4 1.26 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.757 -176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' O ' ' HD3' ' A' ' 42' ' ' PRO . 79.2 mt -146.63 131.42 18.0 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.463 -0.79 . . . . 0.0 109.809 -179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 40' ' ' VAL . 7.1 p -67.52 96.99 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.621 0.724 . . . . 0.0 111.052 177.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.4 m 57.38 70.41 1.35 Allowed Pre-proline 0 CA--C 1.534 0.365 0 CA-C-N 115.122 -0.944 . . . . 0.0 111.641 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 39' ' ' LEU . 94.9 Cg_endo -81.27 26.57 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.668 2.246 . . . . 0.0 111.813 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -101.44 115.93 64.35 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.451 -177.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.02 99.18 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 112.192 177.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 9.5 m -80.28 75.68 7.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.06 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -150.24 156.93 42.49 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -178.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 59.53 40.91 19.89 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.422 0.629 . . . . 0.0 110.898 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -118.16 44.19 2.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.423 -179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.8 m -149.23 93.62 2.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.937 178.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -97.86 77.43 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.907 0.384 . . . . 0.0 110.485 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -77.24 117.08 18.42 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.522 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -170.02 130.47 0.98 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.306 0.574 . . . . 0.0 111.097 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 47.8 mt -93.08 -5.56 10.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.872 0.844 . . . . 0.0 109.323 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -63.31 -20.92 65.91 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.096 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.0 p -116.0 28.92 8.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.323 0.582 . . . . 0.0 110.387 178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 33.6 tp -130.0 -3.13 4.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.672 -177.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.8 mm -90.45 -36.53 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -174.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -67.18 -26.69 66.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.912 0.387 . . . . 0.0 111.175 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.8 p -72.48 -30.86 64.91 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.275 0.559 . . . . 0.0 110.433 176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 65.2 mt -80.13 -33.4 14.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.697 0.761 . . . . 0.0 109.37 176.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 61' ' ' LEU . 3.2 tm? -66.6 -28.67 68.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.814 -1.085 . . . . 0.0 110.33 -178.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.2 p -96.6 20.83 10.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.77 0.319 . . . . 0.0 111.432 -176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.3 p -145.24 -41.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 p -131.1 76.54 1.73 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.35 0.595 . . . . 0.0 110.609 177.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -117.19 22.72 12.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.785 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.38 -35.18 77.93 Favored Glycine 0 CA--C 1.518 0.26 0 CA-C-N 115.746 -0.661 . . . . 0.0 113.558 -174.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.52 7.32 30.01 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -176.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -142.08 34.56 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.455 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 27.1 p -153.34 82.14 4.84 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -69.47 151.37 70.72 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.186 1.924 . . . . 0.0 111.365 177.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.5 tpp180 -74.36 83.21 1.92 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.218 0.532 . . . . 0.0 110.287 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -109.94 85.12 2.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.162 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -167.31 -152.11 7.27 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.874 -0.679 . . . . 0.0 111.903 -179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.4 m -84.16 47.81 1.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.122 0.487 . . . . 0.0 110.828 -177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -144.68 121.73 6.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.55 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.43 130.82 35.34 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.587 2.192 . . . . 0.0 111.875 -178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 77' ' ' ASN . 0.9 OUTLIER -77.55 67.11 3.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.732 176.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.7 m 62.18 64.46 0.97 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.138 -175.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.6 t -114.77 89.5 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.033 -179.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 58.0 mt -116.78 85.29 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 45.5 t -67.03 -27.94 67.81 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.839 -175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 19.0 p -113.76 45.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.613 0.721 . . . . 0.0 110.791 -177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 179.79 43.8 0.08 OUTLIER Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.164 -0.926 . . . . 0.0 111.231 179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -139.35 75.36 1.51 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.602 0.715 . . . . 0.0 110.56 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 11.1 mp -100.87 -37.23 8.76 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 169.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.4 p -158.56 57.13 0.45 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.362 175.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 13.8 m 57.4 68.65 0.82 Allowed 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.751 0.786 . . . . 0.0 109.996 -177.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.249 1.034 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.324 -175.066 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.834 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 66.34 -79.16 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 123.268 0.627 . . . . 0.0 111.226 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -151.5 17.45 0.72 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.355 0.598 . . . . 0.0 109.407 177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 69.8 mtm -133.13 143.09 49.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.322 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.557 ' O ' ' HB2' ' A' ' 5' ' ' ARG . 42.5 ttp -88.8 66.25 7.94 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 178.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -77.97 -41.37 36.27 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.343 -171.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.98 -46.11 75.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.029 0.442 . . . . 0.0 111.444 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 4' ' ' ARG . 6.1 tpt180 -71.52 -30.91 66.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.154 -178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 1' ' ' MET . 0.3 OUTLIER -68.11 -50.55 54.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.942 -178.014 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -56.27 -34.66 66.63 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 120.962 0.41 . . . . 0.0 111.144 175.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -68.95 -46.4 68.26 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 178.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.0 mt -55.94 -32.87 64.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.758 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 HD11 ' NH1' ' A' ' 5' ' ' ARG . 57.1 mt -71.89 -38.37 69.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.056 0.455 . . . . 0.0 110.531 175.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.38 -40.3 93.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.466 175.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' N ' ' HE2' ' A' ' 11' ' ' LYS . 1.2 mpmm? -76.7 -20.33 56.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.822 177.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -61.79 -23.86 66.48 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.242 0.544 . . . . 0.0 110.842 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -59.54 -18.7 42.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.143 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 14.2 mmp_? -59.96 -27.8 67.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.977 0.418 . . . . 0.0 110.791 178.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 93.7 mt -85.69 -39.48 17.18 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.329 177.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.74 -33.08 75.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.416 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 8.7 pt-20 -62.4 -41.6 98.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.737 178.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.22 -43.85 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.653 172.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -59.1 -39.04 81.02 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 178.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' HB2' ' A' ' 23' ' ' GLU . 6.9 tpp85 -62.58 -22.82 66.65 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.372 -177.36 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -64.47 -36.93 85.79 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.437 ' HB3' ' O ' ' A' ' 19' ' ' LYS . 23.5 tpt180 -63.76 -50.58 68.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.034 -0.985 . . . . 0.0 110.421 176.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HB2' ' HD3' ' A' ' 20' ' ' ARG . 1.8 mp0 -55.66 -41.91 74.32 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.991 175.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 29.4 tp -61.51 -48.61 80.27 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.814 0.34 . . . . 0.0 110.462 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 28' ' ' GLN . 10.9 tpp180 -63.1 -18.82 63.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.489 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -70.86 -46.25 63.0 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.779 178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.576 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.1 OUTLIER -78.87 -29.74 44.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.768 177.084 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 25' ' ' ARG . 27.5 mm-40 -76.98 -60.81 2.2 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.003 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.66 -37.95 59.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.762 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 77.1 -26.2 0.19 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 115.168 -0.923 . . . . 0.0 111.613 177.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -108.53 46.62 1.14 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.003 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -127.14 61.57 1.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.328 0.585 . . . . 0.0 109.717 177.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.8 p -157.56 75.81 0.8 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.718 -178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.8 mt 60.08 61.08 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-O 121.945 0.879 . . . . 0.0 108.893 -173.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.2 m -121.57 98.41 46.01 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.609 -175.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.6 107.73 0.54 Allowed 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.589 2.192 . . . . 0.0 111.784 176.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.0 m -134.41 61.22 1.68 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.058 0.456 . . . . 0.0 110.49 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -117.35 40.43 3.04 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 122.027 0.918 . . . . 0.0 109.173 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 74.7 mt -113.59 42.55 1.95 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.953 -178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.13 64.14 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 121.785 0.802 . . . . 0.0 109.82 -175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 20.7 m -140.18 64.91 27.36 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.87 179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.504 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 10.0 Cg_endo -91.25 53.28 0.88 Allowed 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 123.34 2.693 . . . . 0.0 111.423 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 m -107.6 97.18 18.83 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.293 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 42' ' ' PRO . 98.9 Cg_endo -102.65 27.46 0.1 Allowed 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 123.367 2.711 . . . . 0.0 112.646 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.1 m -100.53 42.92 1.08 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.756 0.312 . . . . 0.0 111.113 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 66.8 114.06 0.03 OUTLIER 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.197 177.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -76.16 59.54 1.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.623 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.412 HD22 ' N ' ' A' ' 48' ' ' ASN . 0.9 OUTLIER -92.28 39.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.223 0.535 . . . . 0.0 110.532 179.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.6 t -137.66 110.7 7.76 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.8 ttm180 62.16 34.41 16.25 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.519 0.676 . . . . 0.0 110.056 -175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -75.69 92.81 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.72 -0.845 . . . . 0.0 108.72 177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -171.08 110.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.79 -174.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 97.8 mt -85.95 -31.65 6.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.072 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -66.88 -43.46 83.42 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.813 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.6 p -95.61 26.1 4.15 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.327 0.584 . . . . 0.0 110.858 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.18 -6.23 46.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.606 176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.4 mm -57.24 -31.61 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.51 179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -63.7 -44.36 93.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.237 178.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 m -71.07 -28.23 64.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.773 -178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 72.6 mt -73.77 -35.35 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 49.1 tp -88.71 8.52 28.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.167 179.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.1 m 55.79 37.77 29.26 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.329 178.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 51.8 m 60.15 67.91 0.82 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.154 -179.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m 62.86 46.62 4.92 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.771 175.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.89 77.13 9.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.138 0.494 . . . . 0.0 110.047 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -94.02 -156.34 32.34 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.205 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -132.62 54.46 1.95 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.035 0.445 . . . . 0.0 110.754 -178.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -85.37 -69.64 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.37 -178.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 33.4 p -167.81 153.0 6.76 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.29 -175.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -68.87 75.46 0.86 Allowed 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.653 2.235 . . . . 0.0 111.329 174.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -128.67 85.61 2.35 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.97 -175.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -133.39 60.44 1.7 Allowed 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 177.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.63 43.36 3.24 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.673 -0.694 . . . . 0.0 112.59 -175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.9 p -89.56 36.29 0.84 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.959 0.409 . . . . 0.0 111.119 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.9 mtm180 -149.85 131.3 7.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -63.85 113.77 2.31 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.574 2.182 . . . . 0.0 111.871 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.98 77.19 4.49 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.359 178.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.6 m 57.94 56.33 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.864 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 45.4 t -95.53 73.58 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.596 0.712 . . . . 0.0 109.808 -178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.3 mt -107.61 111.36 35.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.986 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 9.3 m -80.18 -20.32 45.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.61 -177.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 14.7 t -168.38 160.87 11.61 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 120.948 0.404 . . . . 0.0 110.21 179.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.22 -59.56 0.42 Allowed Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -177.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -128.78 42.77 3.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 50.4 tp -107.33 -14.52 14.86 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.953 -177.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.4 p -114.2 32.61 5.78 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.424 179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 m -93.72 65.17 3.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.033 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 . . . . . 0 C--O 1.248 1.001 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.955 -178.433 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 112.016 -0.434 . . . . 0.0 112.016 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . 57.68 33.58 23.42 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 123.013 0.525 . . . . 0.0 112.135 175.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 52.3 m80 -140.32 -70.47 0.39 Allowed 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.151 -0.22 . . . . 0.0 110.989 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 88.1 mtp 59.41 79.14 0.24 Allowed 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.282 0.563 . . . . 0.0 110.625 -177.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt -80.0 94.59 5.95 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.885 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.88 -37.05 80.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.205 -175.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.39 -47.19 82.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.69 179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -74.0 -30.11 62.3 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.936 -178.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -59.03 -39.86 83.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.92 0.39 . . . . 0.0 110.343 175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.95 -47.93 56.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.01 178.298 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -56.74 -34.74 67.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.843 174.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -65.6 -41.16 93.1 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.601 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.77 -42.56 97.76 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 121.148 -0.221 . . . . 0.0 110.728 -178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.97 -40.87 86.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.191 0.519 . . . . 0.0 111.089 176.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.0 -25.38 47.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.29 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.9 mmmp? -80.53 -27.0 37.74 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.73 86.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.767 177.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 17' ' ' GLU . 44.0 mtm180 -63.36 -39.72 95.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.052 175.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.1 mt -68.79 -31.6 70.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.761 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.87 -35.82 81.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.626 175.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 14' ' ' ARG . 8.8 tp10 -59.4 -51.99 67.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.92 173.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.2 mt -56.37 -43.9 78.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.115 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.5 ttpp -61.59 -40.98 96.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.965 178.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 20' ' ' ARG . 7.4 tpp180 -65.02 -38.83 92.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.4 179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.64 -36.93 82.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.935 0.398 . . . . 0.0 110.418 177.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 35.3 ttm180 -62.89 -48.0 80.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.891 174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -60.34 -32.22 71.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.257 176.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -71.45 -49.03 45.55 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -61.43 -26.37 67.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.046 176.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 30' ' ' ALA . . . -67.26 -33.75 75.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 110.293 175.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.575 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -76.25 -32.64 58.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.089 175.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -78.42 -60.68 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.174 -176.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.1 -41.27 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.371 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 26' ' ' ALA . . . 78.18 -22.8 0.27 Allowed 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.857 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.32 28.18 11.37 Favored Glycine 0 N--CA 1.45 -0.412 0 N-CA-C 111.642 -0.583 . . . . 0.0 111.642 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 46.96 42.76 12.85 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.783 0.833 . . . . 0.0 111.895 -177.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 68.2 m 63.07 61.16 1.13 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.476 -0.783 . . . . 0.0 111.164 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt 62.76 78.1 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.817 177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 90.2 m -155.57 100.01 2.24 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.551 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.59 118.2 5.05 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.38 2.053 . . . . 0.0 111.55 176.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 p -80.59 60.45 3.93 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.283 0.564 . . . . 0.0 111.459 -175.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -133.27 67.97 1.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 176.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.13 71.04 1.28 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.011 -179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.8 t -90.69 62.7 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.947 0.879 . . . . 0.0 109.433 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.5 m -156.35 78.54 4.13 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.77 -1.105 . . . . 0.0 109.892 177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.29 38.78 0.57 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.405 2.737 . . . . 0.0 112.152 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 m -99.04 107.3 43.26 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.128 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -69.66 92.95 0.51 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.254 1.969 . . . . 0.0 111.682 177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.3 m -75.2 106.69 6.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.513 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -115.96 141.73 47.73 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.17 57.37 2.03 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.321 0.581 . . . . 0.0 110.412 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -114.14 110.15 19.54 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.448 -174.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.7 m -155.45 55.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.035 0.445 . . . . 0.0 110.532 178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.601 ' HD2' ' O ' ' A' ' 50' ' ' ARG . 1.3 tmm_? -94.52 -13.45 26.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.388 0.613 . . . . 0.0 109.478 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -70.16 136.92 50.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.202 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -163.86 112.98 1.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.139 178.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.94 -10.35 11.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.59 0.709 . . . . 0.0 110.165 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -67.46 -8.84 36.6 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.558 177.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 38.4 m 75.31 27.33 1.09 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.901 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.7 mt -70.11 -36.32 74.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.679 177.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.4 mm -83.29 -17.93 10.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.17 -177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -65.18 -35.45 81.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.262 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.3 m -71.36 -29.45 64.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.423 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.7 mt -74.97 -35.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 121.479 0.657 . . . . 0.0 109.354 177.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.6 tm? -67.81 -23.41 65.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.209 178.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.1 m -94.35 2.6 55.8 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.569 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.0 m 61.59 16.26 7.53 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.041 178.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.1 p -129.15 51.61 2.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.285 0.564 . . . . 0.0 110.645 -175.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.56 90.03 7.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.909 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 92.96 138.77 8.86 Favored Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.917 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.73 55.58 3.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 178.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -132.53 61.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.5 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.2 m 62.06 72.13 0.67 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.137 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -69.87 147.28 61.82 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.238 1.958 . . . . 0.0 111.275 177.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -72.03 86.89 1.03 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.057 0.456 . . . . 0.0 110.448 -176.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.8 mtp180 -139.39 47.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.96 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 173.8 -90.54 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.759 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.5 t 60.43 50.64 5.83 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.121 0.486 . . . . 0.0 110.562 178.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -140.22 118.19 8.35 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.957 -178.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.89 105.0 1.07 Allowed 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.278 1.985 . . . . 0.0 111.329 177.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -82.75 78.5 9.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.316 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.5 m -145.34 53.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.705 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 15.6 t -81.94 64.09 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.636 0.731 . . . . 0.0 110.096 -179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 48.5 mt -106.18 69.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.62 -178.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 32.5 p -168.34 -74.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.708 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.3 p -97.92 57.58 1.31 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.148 0.499 . . . . 0.0 111.191 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 174.2 26.36 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.943 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -174.11 90.15 0.07 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.246 0.546 . . . . 0.0 109.82 -176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 85' ' ' LEU . 26.5 tp -129.29 8.84 5.56 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.983 178.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 48.3 m 63.97 10.44 5.32 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.126 -175.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 25.0 m -161.03 78.13 0.58 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 -179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 0.0 109.76 -174.355 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ALA . . . . . . . . . . . . . . . -141.88 98.95 3.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.751 0.31 . . . . 0.0 110.609 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' HIS . . . . . . . . . . . . . 41.6 t-80 -78.38 -34.5 48.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.21 0.529 . . . . 0.0 110.081 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 71.8 mtm -112.56 -169.47 1.48 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.677 177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.496 ' HG2' ' HB3' ' A' ' 4' ' ' ARG . 43.7 ttp 60.88 42.38 13.14 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.91 0.862 . . . . 0.0 110.062 176.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -70.91 -30.02 66.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.085 -175.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.22 -49.78 76.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.931 0.396 . . . . 0.0 110.663 177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.496 ' HB3' ' HG2' ' A' ' 1' ' ' MET . 34.8 ttm180 -70.69 -47.66 58.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.173 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -57.07 -30.34 64.21 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -71.78 -39.59 69.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.402 0.62 . . . . 0.0 109.465 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -70.32 -33.54 71.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.547 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 58.7 tp -65.8 -39.12 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.612 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -65.3 -37.04 85.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.362 . . . . 0.0 110.358 177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.45 99.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.511 0.672 . . . . 0.0 109.574 174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -68.16 -18.89 64.73 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.928 177.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 8' ' ' LEU . 12.3 mmmm -85.24 -35.06 21.82 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.22 -51.21 10.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.912 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -59.31 -46.61 88.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.758 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.3 mt -66.66 -37.01 83.92 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.221 -178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.65 -52.9 48.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.7 0.286 . . . . 0.0 111.208 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 18' ' ' ILE . 11.0 pt-20 -56.49 -46.56 80.4 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.284 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 92.8 mt -62.43 -42.21 94.76 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-O 120.833 0.349 . . . . 0.0 111.159 176.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -56.25 -49.03 75.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.673 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -61.39 -40.55 94.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.914 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.69 -47.84 81.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.373 -178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -60.16 -40.9 91.5 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.615 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -40.44 56.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.367 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.6 tp -63.75 -47.11 82.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -69.61 -30.41 68.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.12 179.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.68 -48.07 82.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 27' ' ' GLN . 0.9 OUTLIER -65.22 -28.31 69.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.644 176.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -81.85 -49.76 9.99 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 121.898 -0.501 . . . . 0.0 110.741 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.5 -19.66 61.5 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.024 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 75.43 38.23 0.41 Allowed 'General case' 0 CA--C 1.519 -0.231 0 CA-C-N 114.64 -1.164 . . . . 0.0 111.323 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 137.75 -73.36 0.43 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.961 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -92.85 123.13 35.9 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -176.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 11.3 p -52.54 120.3 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.489 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.4 mt 70.49 85.02 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 CA-C-O 121.528 0.68 . . . . 0.0 110.674 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 77.2 m -133.07 85.86 44.24 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.52 175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -61.16 109.33 0.69 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.734 2.289 . . . . 0.0 112.372 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.6 p -129.25 25.68 5.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.196 0.522 . . . . 0.0 110.36 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -85.94 54.79 3.26 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.803 0.811 . . . . 0.0 110.144 -177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 89.6 mt -131.61 52.05 2.1 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.513 176.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.78 77.21 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.171 -0.922 . . . . 0.0 109.882 -176.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.2 p -135.29 68.41 68.62 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.953 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -78.08 -1.34 11.51 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.697 2.265 . . . . 0.0 112.502 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.6 m -111.55 104.57 56.24 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.905 -0.405 . . . . 0.0 109.905 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.566 ' HB3' ' NH1' ' A' ' 50' ' ' ARG . 63.1 Cg_endo -73.24 59.45 3.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.858 2.372 . . . . 0.0 113.75 -178.041 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.2 p -98.29 61.3 1.43 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 175.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 60.06 54.2 4.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.899 0.857 . . . . 0.0 109.638 -175.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.61 69.49 1.35 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.683 -1.144 . . . . 0.0 109.288 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -78.46 62.83 3.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.655 -175.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.8 m -106.77 23.4 14.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.537 0.684 . . . . 0.0 109.513 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.566 ' NH1' ' HB3' ' A' ' 44' ' ' PRO . 82.3 mtm180 -93.79 83.22 4.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.964 -175.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 31.8 tpt180 -159.77 103.57 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.952 0.406 . . . . 0.0 110.31 -178.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' OE1' ' HB3' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -165.96 102.14 0.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 -178.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 81.3 mt -63.89 -31.62 53.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.191 -170.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 12.8 tp10 -63.5 -36.85 85.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.073 0.463 . . . . 0.0 110.5 -176.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p -90.79 -22.06 21.21 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.034 0.445 . . . . 0.0 110.505 178.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 31.7 tp -66.56 -45.24 79.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.321 178.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.3 mm -72.08 -26.14 24.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.254 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.1 -39.96 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.591 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.66 -27.56 61.31 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.024 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.1 mt -75.52 -36.72 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.366 0.603 . . . . 0.0 109.847 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.48 -17.68 62.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.735 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 t -117.53 47.1 1.59 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 0.0 110.322 -177.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 33.9 p -171.7 -62.45 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.287 176.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.4 p -97.42 -1.27 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -173.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 48.1 1.55 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 110.399 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 132.32 -173.47 20.75 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.97 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.43 56.87 3.99 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.08 0.467 . . . . 0.0 110.561 179.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -112.21 48.9 0.95 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.962 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.9 m 62.14 71.44 0.72 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.472 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -78.55 19.14 0.87 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.936 2.424 . . . . 0.0 113.054 -174.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -115.73 -1.95 12.54 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.765 175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -116.67 97.19 5.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.666 -178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -99.05 -148.34 23.16 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.014 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 31.4 p -92.59 45.25 1.19 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.298 0.57 . . . . 0.0 110.807 -177.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.8 mtm180 -145.87 156.37 51.68 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -70.21 88.31 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.382 2.054 . . . . 0.0 111.885 178.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -84.88 76.68 10.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.477 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.9 m 58.11 77.68 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.268 0.556 . . . . 0.0 111.139 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 61.5 t -79.74 -17.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.553 0.692 . . . . 0.0 109.672 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 83.4 mt -85.73 94.62 4.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.351 -0.841 . . . . 0.0 109.929 -179.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.8 p -81.28 -30.87 33.9 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.376 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 17.5 p -89.33 34.0 0.81 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.486 0.66 . . . . 0.0 110.531 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -150.14 30.38 1.09 Allowed Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.188 178.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.49 61.77 0.78 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.3 mp -65.86 105.38 1.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.98 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 21.5 m -134.91 63.12 1.63 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.209 175.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.7 m -130.03 49.32 2.29 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.074 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.449 -0.786 . . . . 0.0 110.062 -178.926 . . . . . . . . 0 0 . 1 stop_ save_