data_2gzk_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2gzk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.313 0.101 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -62.73 -41.17 99.04 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.638 0.256 . . . . 0.0 110.841 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.37 46.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.478 . . . . 0.0 110.153 174.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -60.24 137.35 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.856 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.7 m -65.77 131.45 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.2 127.74 33.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.224 -173.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.513 ' HD2' " C5'" ' C' ' 224' ' ' ' DT' . 45.9 ttp180 -68.34 139.63 92.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.737 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.76 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 76.8 Cg_exo -49.94 123.55 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.433 2.089 . . . . 0.0 111.524 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.7 mtt -63.52 123.8 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.842 -175.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -65.06 150.59 47.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.998 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' HB1' ' C ' ' A' ' 54' ' ' PHE . . . -46.7 -35.07 5.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.581 ' HB2' " H5'" ' C' ' 222' ' ' ' DG' . 22.2 t80 -59.22 -46.12 89.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.676 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 31.4 mm -62.63 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.472 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.67 -54.44 12.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.397 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.413 ' CZ3' ' HB2' ' A' ' 43' ' ' TRP . 36.6 t90 -61.31 -46.9 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.867 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 50.2 m -55.97 -42.6 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.873 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.676 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 59.5 mtm180 -56.49 -54.43 45.81 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 111.167 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -76.36 -34.24 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.465 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.474 ' O ' ' HG3' ' A' ' 23' ' ' MET . 60.9 tp60 -68.38 -44.16 75.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.46 ' HB2' ' O ' ' A' ' 16' ' ' SER . 1.6 tmt_? -57.44 -43.93 84.3 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' HB2' ' OP1' ' B' ' 215' ' ' ' DG' . 60.4 ttt180 -61.81 -45.72 92.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 65.6 tttp -61.84 -43.76 98.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.404 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.492 ' HE2' HD12 ' A' ' 35' ' ' ILE . 48.8 mtp -59.1 -38.54 79.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.798 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' HB3' HH11 ' A' ' 20' ' ' ARG . . . -62.51 -32.6 73.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.424 0.631 . . . . 0.0 110.341 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.2 mt -72.69 -50.68 23.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.462 178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 5.0 mt-10 -69.75 -51.13 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.574 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 63.1 m-80 -79.01 120.95 82.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 27' ' ' ASN . 22.4 Cg_exo -67.19 -41.99 8.55 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.888 2.392 . . . . 0.0 112.807 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -79.22 -32.76 44.03 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.8 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 24.1 ptt? 34.12 50.89 0.38 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.043 0.937 . . . . 0.0 112.766 177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 23.8 tpp180 -70.17 133.57 47.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.479 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -49.14 -48.85 44.41 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.678 0.611 . . . . 0.0 111.371 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.6 p -61.08 -46.19 91.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.307 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.402 ' HG2' ' HB3' ' A' ' 31' ' ' ARG . 3.3 mm-40 -72.35 -43.06 64.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.492 HD12 ' HE2' ' A' ' 23' ' ' MET . 31.2 mm -58.03 -53.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -68.14 -36.17 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.298 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.502 ' HD2' " H5'" ' C' ' 220' ' ' ' DT' . 23.5 tptm -56.39 -55.57 31.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 111.221 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -73.43 -23.12 60.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 110.375 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.74 -53.12 61.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.276 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.656 ' HA3' H2'' ' C' ' 220' ' ' ' DT' . . . -62.34 -34.34 88.96 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.982 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -57.61 -55.04 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.343 . . . . 0.0 111.221 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.593 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 57.0 mt-30 -57.91 -40.63 80.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.814 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HE1' " C5'" ' C' ' 222' ' ' ' DG' . 73.0 t-105 -57.15 -52.66 64.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.316 0.385 . . . . 0.0 111.619 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -72.64 -18.28 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.816 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -85.51 -9.17 57.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.593 ' HG ' ' O ' ' A' ' 42' ' ' GLN . 75.1 mt -70.11 162.49 28.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 111.298 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -78.05 150.9 33.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.794 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 110.831 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.2 64.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.996 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -80.0 -42.15 24.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.614 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.09 -50.46 73.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.828 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . 0.807 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 16.2 t-105 -45.25 -61.53 2.27 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -172.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 52' ' ' TRP . 31.9 Cg_exo -67.83 -30.38 33.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.503 2.135 . . . . 0.0 112.481 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' C ' ' HB1' ' A' ' 11' ' ' ALA . 5.4 m-85 -66.09 -41.35 90.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.223 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-30 -60.53 -37.47 81.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.25 174.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -60.29 -35.06 74.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.698 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.425 ' O ' HD12 ' A' ' 61' ' ' LEU . 1.2 tm-20 -60.27 -49.48 77.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.543 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.92 -45.95 92.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -63.79 -38.81 92.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 110.446 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.76 ' HB3' ' HB3' ' A' ' 8' ' ' PRO . 3.5 mp -57.76 -55.29 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.22 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.435 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 4.1 pp0? -66.84 -33.88 76.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.563 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.51 -52.06 67.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.5 ptp -71.78 -36.31 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -65.3 -46.83 78.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.555 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.6 ptm180 -67.72 -37.98 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.017 -175.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -75.66 -33.09 60.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -60.65 -51.08 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.552 ' HB3' ' O ' ' A' ' 72' ' ' TYR . 97.3 m-85 -89.56 118.47 69.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.453 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.75 -42.69 0.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.106 2.538 . . . . 0.0 113.097 -178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -130.15 -52.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.461 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.552 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 9.3 t80 -65.28 121.19 14.24 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 72' ' ' TYR . 17.3 ptpt -176.63 176.37 1.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.527 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.464 ' HH ' " H4'" ' B' ' 211' ' ' ' DC' . 37.2 t80 -64.01 115.33 4.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 0.0 110.92 -178.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -95.12 151.99 18.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.673 ' HB2' " H4'" ' C' ' 225' ' ' ' DT' . 0.2 OUTLIER -67.28 98.74 0.64 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.298 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.06 60.63 2.21 Favored Glycine 0 C--O 1.226 -0.366 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.465 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 27.7 tp10 -73.12 -118.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.635 0.374 . . . . 0.0 110.906 -172.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.6 HG23 H5'' ' B' ' 210' ' ' ' DA' . 5.6 t -174.34 -127.19 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -57.47 -45.8 84.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.985 0.421 . . . . 0.0 110.606 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.461 ' HD3' " C4'" ' B' ' 209' ' ' ' DA' . 13.6 ptmm? -88.68 37.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.657 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -77.91 -41.1 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 109.883 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -91.87 -165.29 1.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.336 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.416 ' HG2' " C5'" ' C' ' 227' ' ' ' DG' . 46.3 mtpt -66.34 109.28 2.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 38.8 t0 -70.76 116.61 47.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 85' ' ' ASP . 53.1 Cg_exo -61.82 -38.73 57.35 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 123.152 2.568 . . . . 0.0 113.058 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -133.14 48.27 2.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.471 -170.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.54 139.59 86.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.805 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.65 142.39 97.7 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.505 2.137 . . . . 0.0 111.952 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.43 121.47 23.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 111.527 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.673 ' HB2' " H5'" ' C' ' 229' ' ' ' DT' . 65.8 mtm180 -72.02 155.89 91.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.202 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.684 ' HB3' ' HB2' ' A' ' 145' ' ' LEU . 29.8 Cg_endo -59.5 138.95 86.97 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.48 2.12 . . . . 0.0 111.193 174.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.586 ' HB2' HD21 ' A' ' 98' ' ' LEU . 46.3 Cg_exo -55.74 134.69 65.51 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.354 2.036 . . . . 0.0 111.21 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 t -69.13 145.67 53.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.1 72.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.751 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.46 -51.06 69.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.503 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.535 ' HB3' " O4'" ' C' ' 230' ' ' ' DC' . 4.7 m-30 -62.36 -37.1 84.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.586 HD21 ' HB2' ' A' ' 93' ' ' PRO . 93.6 mt -59.67 -47.72 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.253 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.85 -40.92 97.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.226 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.818 ' HA ' ' HG ' ' A' ' 123' ' ' LEU . 46.4 t -59.24 -45.28 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.2 t -58.38 -44.41 88.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.11 -42.59 99.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.654 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TYR . . . . . 0.589 ' O ' HG12 ' A' ' 107' ' ' ILE . 2.3 m-85 -85.64 -17.86 34.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 45.1 ttp85 -43.87 -55.58 8.88 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.438 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 33.9 Cg_endo -63.28 -28.91 72.67 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.224 1.949 . . . . 0.0 112.325 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -74.79 -36.87 62.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.149 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.589 HG12 ' O ' ' A' ' 103' ' ' TYR . 29.6 mm -63.79 -43.19 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.013 -176.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 12.0 ptmm? -65.47 -25.9 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.693 0.759 . . . . 0.0 109.345 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 -37.96 89.55 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.013 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.67 -47.47 69.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.96 112.54 12.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.976 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.3 49.94 3.01 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.091 2.527 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.44 42.92 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.757 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.3 mt -124.97 133.55 52.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.591 -0.304 . . . . 0.0 110.494 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -69.54 148.89 48.84 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 170.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.738 HG13 " H1'" ' C' ' 232' ' ' ' DC' . 48.2 mm -54.08 -37.11 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.639 ' HA2' ' N3 ' ' B' ' 202' ' ' ' DG' . . . -67.41 -31.24 76.38 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.072 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.634 ' HA ' ' HD3' ' A' ' 121' ' ' LYS . 18.3 t70 -76.24 -22.47 55.14 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.371 -0.488 . . . . 0.0 111.615 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 116' ' ' ILE . 3.5 m -64.01 -25.17 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.19 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -61.54 -35.65 78.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.634 ' HD3' ' HA ' ' A' ' 118' ' ' ASP . 0.8 OUTLIER -60.13 -41.23 92.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.506 178.856 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.65 ' HG3' ' HE2' ' A' ' 126' ' ' MET . 4.3 tppp? -61.4 -44.25 97.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.218 176.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.818 ' HG ' ' HA ' ' A' ' 100' ' ' CYS . 3.6 mm? -57.82 -39.96 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -52.67 -47.37 58.22 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.826 -0.625 . . . . 0.0 113.819 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -74.65 -34.37 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.613 0.706 . . . . 0.0 111.257 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . 0.65 ' HE2' ' HG3' ' A' ' 122' ' ' LYS . 67.7 mtm -70.38 -22.99 62.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TRP . . . . . 0.434 ' CH2' ' HE2' ' A' ' 135' ' ' LYS . 3.3 t-105 -63.2 -40.14 96.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.215 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -69.1 -35.6 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.389 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -72.08 -26.45 62.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.777 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . 0.748 HG21 ' HB3' ' A' ' 135' ' ' LYS . 62.3 m -64.58 125.81 25.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.72 145.2 56.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.414 ' O ' ' HG2' ' A' ' 135' ' ' LYS . . . -56.59 -46.76 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.566 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.05 -40.15 92.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.85 0.357 . . . . 0.0 111.04 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.434 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 37.4 t70 -66.05 -38.37 88.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.584 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . 0.748 ' HB3' HG21 ' A' ' 130' ' ' THR . 11.5 ptmm? -81.32 -20.89 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.358 -0.214 . . . . 0.0 111.23 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLN . . . . . 0.496 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . 3.0 tp-100 -50.88 -49.79 78.12 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' HD3' ' HB3' ' A' ' 136' ' ' GLN . 76.7 Cg_exo -52.37 -38.82 73.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.563 2.176 . . . . 0.0 112.946 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.531 ' H ' ' HD1' ' A' ' 138' ' ' TYR . 1.0 OUTLIER -64.94 -47.95 75.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.182 0.515 . . . . 0.0 109.72 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 23.5 mt-10 -61.36 -44.77 96.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.355 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . 0.5 ' O ' ' HG2' ' A' ' 144' ' ' LYS . 73.5 mmtt -60.1 -40.0 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 177.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LYS . . . . . 0.542 ' HD3' HD13 ' A' ' 98' ' ' LEU . 55.6 tttp -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.076 177.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.95 98.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.994 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -60.69 -39.26 87.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.221 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 140' ' ' LYS . 33.9 mmtp -66.6 -41.69 88.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.297 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . 67.8 mt -68.06 -29.38 68.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.511 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HB3' ' O ' ' A' ' 143' ' ' ALA . 43.4 tttp -59.56 -41.95 91.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.03 -42.92 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.882 0.372 . . . . 0.0 110.024 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 145' ' ' LEU . 24.6 mtpp -63.21 -42.68 99.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.346 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' TYR . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 91' ' ' ARG . 17.0 t80 -60.93 -37.59 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.388 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 153' ' ' ILE . 81.1 mt-10 -61.91 -36.11 80.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.238 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.28 -40.61 96.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.193 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.24 -43.75 97.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . 0.597 ' O ' ' HG2' ' A' ' 157' ' ' ARG . 9.8 tp -72.74 -26.95 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.069 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.5 91.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.76 84.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.044 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' TYR . . . . . 0.404 ' HB3' ' O ' ' A' ' 153' ' ' ILE . 65.8 t80 -62.89 -41.09 99.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.197 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ARG . . . . . 0.597 ' HG2' ' O ' ' A' ' 153' ' ' ILE . 42.9 mmm-85 -67.72 -39.18 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.897 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.0 125.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.633 -0.698 . . . . 0.0 110.459 -178.306 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.223 1.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ' DG' . . . . . 0.639 ' N3 ' ' HA2' ' A' ' 117' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ' DG' . . . . . 0.568 " H4'" ' HG3' ' A' ' 121' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.492 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 104.465 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C4'-C3'-C2' 104.376 1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ' DT' . . . . . 0.496 H2'' ' C8 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 105.546 2.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' ' DA' . . . . . 0.496 ' C8 ' H2'' ' B' ' 207' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 105.393 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ' DA' . . . . . 0.461 " C4'" ' HD3' ' A' ' 81' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ' DA' . . . . . 0.6 H5'' HG23 ' A' ' 79' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 106.394 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ' DC' . . . . . 0.464 " H4'" ' HH ' ' A' ' 74' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.869 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' ' DA' . . . . . 0.436 " C5'" ' HB3' ' A' ' 7' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.612 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ' DA' . . . . . 0.422 H2'' ' C6 ' ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.912 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ' DT' . . . . . 0.476 " C2'" ' C8 ' ' B' ' 215' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C4'-C3'-C2' 104.808 1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ' DG' . . . . . 0.476 ' C8 ' " C2'" ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 104.957 -1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.319 0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 217' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.436 0.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 218' ' ' ' DC' . . . . . 0.453 " C2'" ' C8 ' ' C' ' 219' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.835 2.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 219' ' ' ' DA' . . . . . 0.479 " H2'" ' C6 ' ' C' ' 220' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C3'-C2'-C1' 104.812 1.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 220' ' ' ' DT' . . . . . 0.656 H2'' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.821 1.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 104.379 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 222' ' ' ' DG' . . . . . 0.581 " H5'" ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 120.564 0.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 223' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 224' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.082 1.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 224' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' C' ' 223' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.641 1.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 225' ' ' ' DT' . . . . . 0.673 " H4'" ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 105.022 1.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 226' ' ' ' DA' . . . . . 0.434 ' C8 ' H2'' ' C' ' 225' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 109.196 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 227' ' ' ' DG' . . . . . 0.416 " C5'" ' HG2' ' A' ' 84' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 P-O3'-C3' 121.029 1.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 228' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 105.199 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 229' ' ' ' DT' . . . . . 0.673 " H5'" ' HB2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.692 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 230' ' ' ' DC' . . . . . 0.535 " O4'" ' HB3' ' A' ' 97' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.407 1.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 231' ' ' ' DC' . . . . . 0.411 " H2'" ' C6 ' ' C' ' 232' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.856 1.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 232' ' ' ' DC' . . . . . 0.738 " H1'" HG13 ' A' ' 116' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.313 0.101 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -62.73 -41.17 99.04 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.638 0.256 . . . . 0.0 110.841 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.37 46.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.478 . . . . 0.0 110.153 174.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -60.24 137.35 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.856 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.49 HG13 ' CE2' ' A' ' 72' ' ' TYR . 21.7 m -65.77 131.45 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.2 127.74 33.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.224 -173.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 45.9 ttp180 -68.34 139.63 92.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.737 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.779 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 76.8 Cg_exo -49.94 123.55 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.433 2.089 . . . . 0.0 111.524 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.7 mtt -63.52 123.8 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.842 -175.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -65.06 150.59 47.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.998 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 54' ' ' PHE . . . -46.7 -35.07 5.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' HB2' " H5'" ' C' ' 222' ' ' ' DG' . 22.2 t80 -59.22 -46.12 89.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.678 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 31.4 mm -62.63 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.472 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.67 -54.44 12.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.397 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 43' ' ' TRP . 36.6 t90 -61.31 -46.9 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.867 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 50.2 m -55.97 -42.6 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.873 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 59.5 mtm180 -56.49 -54.43 45.81 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 111.167 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -76.36 -34.24 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.465 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' MET . 60.9 tp60 -68.38 -44.16 75.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HB2' ' A' ' 24' ' ' ALA . 1.6 tmt_? -57.44 -43.93 84.3 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HB2' ' OP1' ' B' ' 215' ' ' ' DG' . 60.4 ttt180 -61.81 -45.72 92.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 25' ' ' LEU . 65.6 tttp -61.84 -43.76 98.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.404 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 48.8 mtp -59.1 -38.54 79.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.798 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 20' ' ' ARG . . . -62.51 -32.6 73.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.424 0.631 . . . . 0.0 110.341 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 22' ' ' LYS . 25.2 mt -72.69 -50.68 23.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.462 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 5.0 mt-10 -69.75 -51.13 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.574 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 63.1 m-80 -79.01 120.95 82.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 27' ' ' ASN . 22.4 Cg_exo -67.19 -41.99 8.55 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.888 2.392 . . . . 0.0 112.807 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -79.22 -32.76 44.03 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.8 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 35' ' ' ILE . 24.1 ptt? 34.12 50.89 0.38 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.043 0.937 . . . . 0.0 112.766 177.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 23.8 tpp180 -70.17 133.57 47.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.479 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -49.14 -48.85 44.41 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.678 0.611 . . . . 0.0 111.371 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.6 p -61.08 -46.19 91.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.307 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 31' ' ' ARG . 3.3 mm-40 -72.35 -43.06 64.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 30' ' ' MET . 31.2 mm -58.03 -53.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -68.14 -36.17 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.298 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HD2' " H5'" ' C' ' 220' ' ' ' DT' . 23.5 tptm -56.39 -55.57 31.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 111.221 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -73.43 -23.12 60.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 110.375 -179.807 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.74 -53.12 61.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.276 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' H2'' ' C' ' 220' ' ' ' DT' . . . -62.34 -34.34 88.96 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.982 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 3.4 m-85 -57.61 -55.04 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.343 . . . . 0.0 111.221 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.603 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 23.3 mt-30 -57.91 -40.63 80.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.814 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HE1' " C5'" ' C' ' 222' ' ' ' DG' . 73.0 t-105 -57.15 -52.66 64.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.316 0.385 . . . . 0.0 111.619 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -72.64 -18.28 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.816 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -85.51 -9.17 57.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 42' ' ' GLN . 75.1 mt -70.11 162.49 28.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 111.298 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -78.05 150.9 33.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.794 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 110.831 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.2 64.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.996 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -80.0 -42.15 24.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.614 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.09 -50.46 73.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.828 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.806 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 16.2 t-105 -45.25 -61.53 2.27 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -172.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 52' ' ' TRP . 31.9 Cg_exo -67.83 -30.38 33.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.503 2.135 . . . . 0.0 112.481 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' HB3' ' HB1' ' A' ' 11' ' ' ALA . 5.4 m-85 -66.09 -41.35 90.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.223 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-30 -60.53 -37.47 81.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.25 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -60.29 -35.06 74.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.698 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.27 -49.48 77.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.543 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.92 -45.95 92.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -63.79 -38.81 92.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 110.446 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HB3' ' HB3' ' A' ' 8' ' ' PRO . 3.5 mp -57.76 -55.29 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.22 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 4.1 pp0? -66.84 -33.88 76.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.563 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.51 -52.06 67.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.5 ptp -71.78 -36.31 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -65.3 -46.83 78.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.555 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.6 ptm180 -67.72 -37.98 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.017 -175.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -75.66 -33.09 60.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -60.65 -51.08 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 72' ' ' TYR . 97.3 m-85 -89.56 118.47 69.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.453 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 69' ' ' TYR . 7.1 Cg_exo -73.75 -42.69 0.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.106 2.538 . . . . 0.0 113.097 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -130.15 -52.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.461 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 9.3 t80 -65.28 121.19 14.24 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -176.63 176.37 1.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.527 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -64.01 115.33 4.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 0.0 110.92 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -95.12 151.99 18.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB2' " H4'" ' C' ' 225' ' ' ' DT' . 0.2 OUTLIER -67.28 98.74 0.64 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.298 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.06 60.63 2.21 Favored Glycine 0 C--O 1.226 -0.366 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 27.7 tp10 -73.12 -118.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.635 0.374 . . . . 0.0 110.906 -172.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -174.34 -127.19 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -57.47 -45.8 84.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.985 0.421 . . . . 0.0 110.606 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HD3' " C4'" ' B' ' 209' ' ' ' DA' . 13.6 ptmm? -88.68 37.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.657 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -77.91 -41.1 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 109.883 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -91.87 -165.29 1.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.336 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' HG2' " C5'" ' C' ' 227' ' ' ' DG' . 46.3 mtpt -66.34 109.28 2.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 38.8 t0 -70.76 116.61 47.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 85' ' ' ASP . 53.1 Cg_exo -61.82 -38.73 57.35 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 123.152 2.568 . . . . 0.0 113.058 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -133.14 48.27 2.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.471 -170.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.54 139.59 86.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.805 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.65 142.39 97.7 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.505 2.137 . . . . 0.0 111.952 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.43 121.47 23.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 111.527 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.671 ' HB2' " H5'" ' C' ' 229' ' ' ' DT' . 65.8 mtm180 -72.02 155.89 91.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.202 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 145' ' ' LEU . 29.8 Cg_endo -59.5 138.95 86.97 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.48 2.12 . . . . 0.0 111.193 174.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HB3' " H5'" ' C' ' 230' ' ' ' DC' . 46.3 Cg_exo -55.74 134.69 65.51 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.354 2.036 . . . . 0.0 111.21 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 t -69.13 145.67 53.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . -54.41 -44.1 72.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.751 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.46 -51.06 69.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.503 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.532 ' HB3' " O4'" ' C' ' 230' ' ' ' DC' . 4.7 m-30 -62.36 -37.1 84.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' ALA . 93.6 mt -59.67 -47.72 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.253 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.85 -40.92 97.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.226 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.805 ' HA ' ' HG ' ' A' ' 123' ' ' LEU . 46.4 t -59.24 -45.28 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.2 t -58.38 -44.41 88.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.11 -42.59 99.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.654 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TYR . . . . . 0.61 ' HB2' HD11 ' A' ' 123' ' ' LEU . 2.3 m-85 -85.64 -17.86 34.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 45.1 ttp85 -43.87 -55.58 8.88 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 33.9 Cg_endo -63.28 -28.91 72.67 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.224 1.949 . . . . 0.0 112.325 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -74.79 -36.87 62.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.149 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 122' ' ' LYS . 29.6 mm -63.79 -43.19 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.013 -176.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 12.0 ptmm? -65.47 -25.9 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.693 0.759 . . . . 0.0 109.345 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 -37.96 89.55 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.013 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.67 -47.47 69.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.96 112.54 12.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.976 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.3 49.94 3.01 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.091 2.527 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.44 42.92 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.757 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.3 mt -124.97 133.55 52.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.591 -0.304 . . . . 0.0 110.494 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -69.54 148.89 48.84 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 170.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.702 HG13 " H1'" ' C' ' 232' ' ' ' DC' . 48.2 mm -54.08 -37.11 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.657 ' HA2' ' N3 ' ' B' ' 202' ' ' ' DG' . . . -67.41 -31.24 76.38 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.072 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.639 ' HA ' ' HD3' ' A' ' 121' ' ' LYS . 18.3 t70 -76.24 -22.47 55.14 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.371 -0.488 . . . . 0.0 111.615 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 116' ' ' ILE . 3.5 m -64.01 -25.17 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.19 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.441 ' HB1' ' N3 ' ' B' ' 203' ' ' ' DG' . . . -61.54 -35.65 78.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 118' ' ' ASP . 0.8 OUTLIER -60.13 -41.23 92.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.506 178.856 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.687 ' HG2' HD12 ' A' ' 107' ' ' ILE . 4.3 tppp? -61.4 -44.25 97.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.218 176.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.805 ' HG ' ' HA ' ' A' ' 100' ' ' CYS . 3.6 mm? -57.82 -39.96 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -52.67 -47.37 58.22 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.826 -0.625 . . . . 0.0 113.819 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -74.65 -34.37 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.613 0.706 . . . . 0.0 111.257 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.472 ' HE3' HD13 ' A' ' 123' ' ' LEU . 67.7 mtm -70.38 -22.99 62.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TRP . . . . . 0.452 ' CH2' ' HE2' ' A' ' 135' ' ' LYS . 3.3 t-105 -63.2 -40.14 96.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.215 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -69.1 -35.6 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.389 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -72.08 -26.45 62.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.777 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.3 m -64.58 125.81 25.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.72 145.2 56.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 135' ' ' LYS . . . -56.59 -46.76 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.566 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 137' ' ' PRO . 28.0 t70 -61.05 -40.15 92.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.85 0.357 . . . . 0.0 111.04 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.444 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 37.4 t70 -66.05 -38.37 88.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.584 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . 0.452 ' HE2' ' CH2' ' A' ' 127' ' ' TRP . 11.5 ptmm? -81.32 -20.89 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.358 -0.214 . . . . 0.0 111.23 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLN . . . . . 0.504 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . 3.0 tp-100 -50.88 -49.79 78.12 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 136' ' ' GLN . 76.7 Cg_exo -52.37 -38.82 73.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.563 2.176 . . . . 0.0 112.946 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.588 ' H ' ' HD1' ' A' ' 138' ' ' TYR . 1.0 OUTLIER -64.94 -47.95 75.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.182 0.515 . . . . 0.0 109.72 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 23.5 mt-10 -61.36 -44.77 96.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.355 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 144' ' ' LYS . 73.5 mmtt -60.1 -40.0 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 177.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.076 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.95 98.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.994 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -60.69 -39.26 87.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.221 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 140' ' ' LYS . 33.9 mmtp -66.6 -41.69 88.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.297 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.717 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . 67.8 mt -68.06 -29.38 68.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.511 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 143' ' ' ALA . 43.4 tttp -59.56 -41.95 91.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.03 -42.92 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.882 0.372 . . . . 0.0 110.024 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 145' ' ' LEU . 24.6 mtpp -63.21 -42.68 99.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.346 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 91' ' ' ARG . 17.0 t80 -60.93 -37.59 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.388 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 153' ' ' ILE . 81.1 mt-10 -61.91 -36.11 80.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.238 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.28 -40.61 96.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.193 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.24 -43.75 97.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 150' ' ' GLU . 9.8 tp -72.74 -26.95 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.069 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.5 91.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.76 84.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.044 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 153' ' ' ILE . 65.8 t80 -62.89 -41.09 99.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.197 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 153' ' ' ILE . 42.9 mmm-85 -67.72 -39.18 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.897 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.0 125.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.633 -0.698 . . . . 0.0 110.459 -178.306 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.223 1.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ' DG' . . . . . 0.657 ' N3 ' ' HA2' ' A' ' 117' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ' DG' . . . . . 0.577 " H4'" ' HG3' ' A' ' 121' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.492 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 104.465 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C4'-C3'-C2' 104.376 1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ' DT' . . . . . 0.526 H2'' ' C8 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 105.546 2.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 208' ' ' ' DA' . . . . . 0.526 ' C8 ' H2'' ' B' ' 207' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 105.393 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ' DA' . . . . . 0.474 " C4'" ' HD3' ' A' ' 81' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ' DA' . . . . . 0.451 H2'' ' C6 ' ' B' ' 211' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 106.394 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ' DC' . . . . . 0.451 ' C6 ' H2'' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.869 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' ' DA' . . . . . 0.453 " C5'" ' HB3' ' A' ' 7' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.612 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ' DA' . . . . . 0.516 " C2'" ' H72' ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.912 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ' DT' . . . . . 0.516 ' H72' " C2'" ' B' ' 213' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C4'-C3'-C2' 104.808 1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ' DG' . . . . . 0.476 ' C8 ' " C2'" ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 104.957 -1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.319 0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 217' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.436 0.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 218' ' ' ' DC' . . . . . 0.48 H2'' ' C8 ' ' C' ' 219' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.835 2.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 219' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' 218' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C3'-C2'-C1' 104.812 1.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 220' ' ' ' DT' . . . . . 0.67 H2'' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.821 1.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 104.379 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 222' ' ' ' DG' . . . . . 0.598 " H5'" ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 120.564 0.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 223' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 224' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.082 1.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 224' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' C' ' 223' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.641 1.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 225' ' ' ' DT' . . . . . 0.668 " H4'" ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 105.022 1.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 226' ' ' ' DA' . . . . . 0.446 ' C8 ' H2'' ' C' ' 225' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 109.196 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 227' ' ' ' DG' . . . . . 0.432 " C5'" ' HG2' ' A' ' 84' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 P-O3'-C3' 121.029 1.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 228' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 105.199 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 229' ' ' ' DT' . . . . . 0.671 " H5'" ' HB2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.692 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 230' ' ' ' DC' . . . . . 0.532 " O4'" ' HB3' ' A' ' 97' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.407 1.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 231' ' ' ' DC' . . . . . 0.409 " H2'" ' C6 ' ' C' ' 232' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.856 1.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 232' ' ' ' DC' . . . . . 0.702 " H1'" HG13 ' A' ' 116' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.313 0.101 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -62.73 -41.17 99.04 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.638 0.256 . . . . 0.0 110.841 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.37 46.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.105 0.478 . . . . 0.0 110.153 174.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -60.24 137.35 58.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.856 -178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.49 HG13 ' CE2' ' A' ' 72' ' ' TYR . 21.7 m -65.77 131.45 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -60.2 127.74 33.31 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.224 -173.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' HG3' ' HD2' ' A' ' 8' ' ' PRO . 45.9 ttp180 -68.34 139.63 92.29 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.737 177.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.779 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . 76.8 Cg_exo -49.94 123.55 10.99 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.433 2.089 . . . . 0.0 111.524 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 63.7 mtt -63.52 123.8 19.72 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.842 -175.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.6 p-10 -65.06 150.59 47.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.998 176.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' HB1' ' HB3' ' A' ' 54' ' ' PHE . . . -46.7 -35.07 5.68 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -173.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.598 ' HB2' " H5'" ' C' ' 222' ' ' ' DG' . 22.2 t80 -59.22 -46.12 89.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.725 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.678 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 31.4 mm -62.63 -42.96 97.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.472 -178.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 60.1 t -51.67 -54.44 12.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 CA-C-O 121.326 0.584 . . . . 0.0 110.397 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.42 ' CZ3' ' HB2' ' A' ' 43' ' ' TRP . 36.6 t90 -61.31 -46.9 88.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.746 -1.116 . . . . 0.0 110.867 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 20' ' ' ARG . 50.2 m -55.97 -42.6 76.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.873 -178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.678 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 59.5 mtm180 -56.49 -54.43 45.81 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.959 0.409 . . . . 0.0 111.167 -177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -76.36 -34.24 58.93 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.461 -0.496 . . . . 0.0 111.465 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' ' 23' ' ' MET . 60.9 tp60 -68.38 -44.16 75.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.78 -0.191 . . . . 0.0 110.876 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' HB2' ' A' ' 24' ' ' ALA . 1.6 tmt_? -57.44 -43.93 84.3 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' HB2' ' OP1' ' B' ' 215' ' ' ' DG' . 60.4 ttt180 -61.81 -45.72 92.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.73 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 25' ' ' LEU . 65.6 tttp -61.84 -43.76 98.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.404 177.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' ' 19' ' ' GLN . 48.8 mtp -59.1 -38.54 79.79 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.798 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.486 ' HB2' HH11 ' A' ' 20' ' ' ARG . . . -62.51 -32.6 73.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.424 0.631 . . . . 0.0 110.341 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 22' ' ' LYS . 25.2 mt -72.69 -50.68 23.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.462 178.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 22' ' ' LYS . 5.0 mt-10 -69.75 -51.13 36.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.574 -176.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 63.1 m-80 -79.01 120.95 82.64 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 27' ' ' ASN . 22.4 Cg_exo -67.19 -41.99 8.55 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.888 2.392 . . . . 0.0 112.807 -177.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 -79.22 -32.76 44.03 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.8 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.603 ' HA ' HD11 ' A' ' 35' ' ' ILE . 24.1 ptt? 34.12 50.89 0.38 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.043 0.937 . . . . 0.0 112.766 177.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HB3' ' HG2' ' A' ' 34' ' ' GLU . 23.8 tpp180 -70.17 133.57 47.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.479 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -49.14 -48.85 44.41 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.678 0.611 . . . . 0.0 111.371 -176.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 81.6 p -61.08 -46.19 91.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.307 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' HG2' ' HB3' ' A' ' 31' ' ' ARG . 3.3 mm-40 -72.35 -43.06 64.6 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.994 -173.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.603 HD11 ' HA ' ' A' ' 30' ' ' MET . 31.2 mm -58.03 -53.54 44.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 178.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.8 m -68.14 -36.17 79.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.298 -175.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.546 ' HD2' " H5'" ' C' ' 220' ' ' ' DT' . 23.5 tptm -56.39 -55.57 31.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.845 0.355 . . . . 0.0 111.221 -176.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' A' ' 41' ' ' TYR . 1.6 pp0? -73.43 -23.12 60.08 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 0.0 110.375 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.74 -53.12 61.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.276 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.67 ' HA3' H2'' ' C' ' 220' ' ' ' DT' . . . -62.34 -34.34 88.96 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.982 176.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.41 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 3.4 m-85 -57.61 -55.04 39.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.513 -0.343 . . . . 0.0 111.221 177.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.603 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 57.0 mt-30 -57.91 -40.63 80.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.814 -178.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HE1' " C5'" ' C' ' 222' ' ' ' DG' . 73.0 t-105 -57.15 -52.66 64.4 Favored 'General case' 0 C--N 1.328 -0.326 0 O-C-N 123.316 0.385 . . . . 0.0 111.619 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -72.64 -18.28 61.59 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.816 -177.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -85.51 -9.17 57.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.996 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 42' ' ' GLN . 75.1 mt -70.11 162.49 28.17 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.024 0.44 . . . . 0.0 111.298 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -78.05 150.9 33.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.794 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -60.09 -31.79 70.36 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.647 0.261 . . . . 0.0 110.831 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -56.23 -32.2 64.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.996 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -80.0 -42.15 24.45 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.614 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -58.09 -50.46 73.38 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.828 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.806 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 16.2 t-105 -45.25 -61.53 2.27 Favored Pre-proline 0 CA--C 1.539 0.556 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -172.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.806 ' HD3' ' HB3' ' A' ' 52' ' ' TRP . 31.9 Cg_exo -67.83 -30.38 33.66 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.503 2.135 . . . . 0.0 112.481 -176.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' HB3' ' HB1' ' A' ' 11' ' ' ALA . 5.4 m-85 -66.09 -41.35 90.76 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.223 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' HA ' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-30 -60.53 -37.47 81.29 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.25 174.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -60.29 -35.06 74.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.698 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -60.27 -49.48 77.44 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 177.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.69 99.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.092 -0.958 . . . . 0.0 111.543 177.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -60.92 -45.95 92.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -63.79 -38.81 92.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.845 0.355 . . . . 0.0 110.446 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.779 ' HB3' ' HB3' ' A' ' 8' ' ' PRO . 3.5 mp -57.76 -55.29 36.79 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.22 178.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' O ' ' HG2' ' A' ' 66' ' ' ARG . 4.1 pp0? -66.84 -33.88 76.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.563 -176.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.51 -52.06 67.17 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.847 0.356 . . . . 0.0 111.209 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 24.5 ptp -71.78 -36.31 70.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.727 179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -65.3 -46.83 78.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.555 -176.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 62' ' ' GLN . 17.6 ptm180 -67.72 -37.98 82.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.761 0.315 . . . . 0.0 111.017 -175.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -75.66 -33.09 60.41 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.121 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -60.65 -51.08 70.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.018 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.558 ' HB3' ' O ' ' A' ' 72' ' ' TYR . 97.3 m-85 -89.56 118.47 69.07 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.453 -178.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 69' ' ' TYR . 7.1 Cg_exo -73.75 -42.69 0.76 Allowed 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 123.106 2.538 . . . . 0.0 113.097 -178.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -130.15 -52.94 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 121.138 -0.225 . . . . 0.0 111.461 -176.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.558 ' O ' ' HB3' ' A' ' 69' ' ' TYR . 9.3 t80 -65.28 121.19 14.24 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -176.63 176.37 1.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.527 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -64.01 115.33 4.81 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 0.0 110.92 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 62.4 mtt-85 -95.12 151.99 18.73 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 172.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB2' " H4'" ' C' ' 225' ' ' ' DT' . 0.2 OUTLIER -67.28 98.74 0.64 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.298 -178.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -74.06 60.63 2.21 Favored Glycine 0 C--O 1.226 -0.366 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HB2' ' HG3' ' A' ' 76' ' ' LYS . 27.7 tp10 -73.12 -118.11 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 122.635 0.374 . . . . 0.0 110.906 -172.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.6 t -174.34 -127.19 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 29.8 tptp -57.47 -45.8 84.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.985 0.421 . . . . 0.0 110.606 177.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.474 ' HD3' " C4'" ' B' ' 209' ' ' ' DA' . 13.6 ptmm? -88.68 37.8 0.85 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.657 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -77.91 -41.1 37.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.513 0.673 . . . . 0.0 109.883 176.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -91.87 -165.29 1.32 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.336 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.432 ' HG2' " C5'" ' C' ' 227' ' ' ' DG' . 46.3 mtpt -66.34 109.28 2.64 Favored 'General case' 0 C--O 1.235 0.296 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 176.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 38.8 t0 -70.76 116.61 47.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -177.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 85' ' ' ASP . 53.1 Cg_exo -61.82 -38.73 57.35 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 123.152 2.568 . . . . 0.0 113.058 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -133.14 48.27 2.42 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.471 -170.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.54 139.59 86.62 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.805 173.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.65 142.39 97.7 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.505 2.137 . . . . 0.0 111.952 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -76.43 121.47 23.11 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.258 0.551 . . . . 0.0 111.527 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.671 ' HB2' " H5'" ' C' ' 229' ' ' ' DT' . 65.8 mtm180 -72.02 155.89 91.39 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.202 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.717 ' HB3' ' HB2' ' A' ' 145' ' ' LEU . 29.8 Cg_endo -59.5 138.95 86.97 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.48 2.12 . . . . 0.0 111.193 174.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.445 ' HB3' " H5'" ' C' ' 230' ' ' ' DC' . 46.3 Cg_exo -55.74 134.69 65.51 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.354 2.036 . . . . 0.0 111.21 179.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 43.9 t -69.13 145.67 53.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.402 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . -54.41 -44.1 72.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.751 -178.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -56.46 -51.06 69.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.503 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.532 ' HB3' " O4'" ' C' ' 230' ' ' ' DC' . 4.7 m-30 -62.36 -37.1 84.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.792 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 95' ' ' ALA . 93.6 mt -59.67 -47.72 84.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.93 0.395 . . . . 0.0 110.253 175.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -61.85 -40.92 97.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.226 176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.805 ' HA ' ' HG ' ' A' ' 123' ' ' LEU . 46.4 t -59.24 -45.28 91.6 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.749 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.2 t -58.38 -44.41 88.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.122 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.11 -42.59 99.59 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.654 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TYR . . . . . 0.61 ' HB2' HD11 ' A' ' 123' ' ' LEU . 2.3 m-85 -85.64 -17.86 34.89 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.438 ' N ' ' HD2' ' A' ' 105' ' ' PRO . 45.1 ttp85 -43.87 -55.58 8.88 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.451 ' O ' ' HG2' ' A' ' 108' ' ' LYS . 33.9 Cg_endo -63.28 -28.91 72.67 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 122.224 1.949 . . . . 0.0 112.325 178.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -74.79 -36.87 62.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.149 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.687 HD12 ' HG2' ' A' ' 122' ' ' LYS . 29.6 mm -63.79 -43.19 97.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 120.897 0.379 . . . . 0.0 111.013 -176.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 105' ' ' PRO . 12.0 ptmm? -65.47 -25.9 67.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.693 0.759 . . . . 0.0 109.345 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -67.68 -37.96 89.55 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 114.487 -1.233 . . . . 0.0 112.013 174.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.67 -47.47 69.41 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 120.816 0.341 . . . . 0.0 110.605 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -133.96 112.54 12.42 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.976 177.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.3 49.94 3.01 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.091 2.527 . . . . 0.0 112.499 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -160.44 42.92 0.43 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.139 -0.553 . . . . 0.0 111.757 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 34.3 mt -124.97 133.55 52.97 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.591 -0.304 . . . . 0.0 110.494 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.7 p -69.54 148.89 48.84 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 170.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.702 HG13 " H1'" ' C' ' 232' ' ' ' DC' . 48.2 mm -54.08 -37.11 33.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.945 -175.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.657 ' HA2' ' N3 ' ' B' ' 202' ' ' ' DG' . . . -67.41 -31.24 76.38 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.787 -0.72 . . . . 0.0 113.072 176.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.639 ' HA ' ' HD3' ' A' ' 121' ' ' LYS . 18.3 t70 -76.24 -22.47 55.14 Favored 'General case' 0 C--N 1.33 -0.257 0 O-C-N 122.371 -0.488 . . . . 0.0 111.615 -175.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.673 HG22 ' O ' ' A' ' 116' ' ' ILE . 3.5 m -64.01 -25.17 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.05 0.452 . . . . 0.0 110.19 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.441 ' HB1' ' N3 ' ' B' ' 203' ' ' ' DG' . . . -61.54 -35.65 78.34 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.639 ' HD3' ' HA ' ' A' ' 118' ' ' ASP . 0.8 OUTLIER -60.13 -41.23 92.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.506 178.856 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.687 ' HG2' HD12 ' A' ' 107' ' ' ILE . 4.3 tppp? -61.4 -44.25 97.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.218 176.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.805 ' HG ' ' HA ' ' A' ' 100' ' ' CYS . 3.6 mm? -57.82 -39.96 78.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.581 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -52.67 -47.37 58.22 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.826 -0.625 . . . . 0.0 113.819 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -74.65 -34.37 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 117.613 0.706 . . . . 0.0 111.257 -178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.472 ' HE3' HD13 ' A' ' 123' ' ' LEU . 67.7 mtm -70.38 -22.99 62.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.762 0.315 . . . . 0.0 110.782 176.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TRP . . . . . 0.452 ' CH2' ' HE2' ' A' ' 135' ' ' LYS . 3.3 t-105 -63.2 -40.14 96.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.215 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -69.1 -35.6 76.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.389 176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 69.6 m-20 -72.08 -26.45 62.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.777 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 62.3 m -64.58 125.81 25.9 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.72 145.2 56.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.523 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.437 ' O ' ' HG2' ' A' ' 135' ' ' LYS . . . -56.59 -46.76 80.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.566 -177.009 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.413 ' O ' ' HD3' ' A' ' 137' ' ' PRO . 28.0 t70 -61.05 -40.15 92.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.85 0.357 . . . . 0.0 111.04 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.444 ' O ' ' HD2' ' A' ' 137' ' ' PRO . 37.4 t70 -66.05 -38.37 88.18 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.584 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . 0.452 ' HE2' ' CH2' ' A' ' 127' ' ' TRP . 11.5 ptmm? -81.32 -20.89 39.77 Favored 'General case' 0 C--N 1.329 -0.322 0 O-C-N 122.358 -0.214 . . . . 0.0 111.23 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.504 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . 3.0 tp-100 -50.88 -49.79 78.12 Favored Pre-proline 0 CA--C 1.543 0.68 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -176.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.504 ' HD3' ' HB3' ' A' ' 136' ' ' GLN . 76.7 Cg_exo -52.37 -38.82 73.98 Favored 'Trans proline' 0 C--N 1.36 1.135 0 C-N-CA 122.563 2.176 . . . . 0.0 112.946 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.588 ' H ' ' HD1' ' A' ' 138' ' ' TYR . 1.0 OUTLIER -64.94 -47.95 75.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.182 0.515 . . . . 0.0 109.72 -179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 135' ' ' LYS . 23.5 mt-10 -61.36 -44.77 96.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.355 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 144' ' ' LYS . 73.5 mmtt -60.1 -40.0 88.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.11 177.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -58.67 -46.34 87.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.076 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.95 98.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.994 177.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ALA . . . . . 0.454 ' O ' ' HB3' ' A' ' 146' ' ' LYS . . . -60.69 -39.26 87.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.221 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 140' ' ' LYS . 33.9 mmtp -66.6 -41.69 88.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.049 0.452 . . . . 0.0 110.297 177.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.717 ' HB2' ' HB3' ' A' ' 92' ' ' PRO . 67.8 mt -68.06 -29.38 68.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.511 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 143' ' ' ALA . 43.4 tttp -59.56 -41.95 91.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.877 178.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.03 -42.92 91.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.882 0.372 . . . . 0.0 110.024 177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 145' ' ' LEU . 24.6 mtpp -63.21 -42.68 99.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.346 175.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' TYR . . . . . 0.445 ' CZ ' ' HG2' ' A' ' 91' ' ' ARG . 17.0 t80 -60.93 -37.59 82.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.388 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.636 ' HA ' HG22 ' A' ' 153' ' ' ILE . 81.1 mt-10 -61.91 -36.11 80.36 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.856 -0.338 . . . . 0.0 110.238 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -62.28 -40.61 96.82 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.193 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -63.24 -43.75 97.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.528 177.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . 0.636 HG22 ' HA ' ' A' ' 150' ' ' GLU . 9.8 tp -72.74 -26.95 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.069 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -65.72 -39.5 91.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.249 173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.76 -36.76 84.95 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.044 175.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' TYR . . . . . 0.419 ' HB3' ' O ' ' A' ' 153' ' ' ILE . 65.8 t80 -62.89 -41.09 99.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.197 176.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ARG . . . . . 0.602 ' HG2' ' O ' ' A' ' 153' ' ' ILE . 42.9 mmm-85 -67.72 -39.18 84.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.897 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -166.0 125.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.337 178.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.633 -0.698 . . . . 0.0 110.459 -178.306 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 O4'-C1'-C2' 107.223 1.021 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ' DG' . . . . . 0.657 ' N3 ' ' HA2' ' A' ' 117' ' ' GLY . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ' DG' . . . . . 0.577 " H4'" ' HG3' ' A' ' 121' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 104.492 1.292 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 104.361 -1.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 O4'-C1'-C2' 104.465 -1.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 C4'-C3'-C2' 104.376 1.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ' DT' . . . . . 0.526 H2'' ' C8 ' ' B' ' 208' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C4'-C3'-C2' 105.546 2.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' ' DA' . . . . . 0.526 ' C8 ' H2'' ' B' ' 207' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 105.393 -0.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ' DA' . . . . . 0.474 " C4'" ' HD3' ' A' ' 81' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ' DA' . . . . . 0.451 H2'' ' C6 ' ' B' ' 211' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 106.394 0.794 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ' DC' . . . . . 0.451 ' C6 ' H2'' ' B' ' 210' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-N19 108.869 1.336 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' ' DA' . . . . . 0.453 " C5'" ' HB3' ' A' ' 7' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 107.612 1.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ' DA' . . . . . 0.516 " C2'" ' H72' ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.912 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ' DT' . . . . . 0.516 ' H72' " C2'" ' B' ' 213' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C4'-C3'-C2' 104.808 1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ' DG' . . . . . 0.476 ' C8 ' " C2'" ' B' ' 214' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 104.957 -1.039 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-N19 108.319 0.648 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 217' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 O5'-C5'-C4' 111.436 0.883 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 218' ' ' ' DC' . . . . . 0.48 H2'' ' C8 ' ' C' ' 219' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C3'-C2'-C1' 105.835 2.239 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 219' ' ' ' DA' . . . . . 0.48 ' C8 ' H2'' ' C' ' 218' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C3'-C2'-C1' 104.812 1.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 220' ' ' ' DT' . . . . . 0.67 H2'' ' HA3' ' A' ' 40' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 107.821 1.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 221' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 104.379 -1.564 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 222' ' ' ' DG' . . . . . 0.598 " H5'" ' HB2' ' A' ' 12' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 120.564 0.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 223' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' C' ' 224' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-N19 109.082 1.602 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 224' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' C' ' 223' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.641 1.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 225' ' ' ' DT' . . . . . 0.668 " H4'" ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 105.022 1.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 226' ' ' ' DA' . . . . . 0.446 ' C8 ' H2'' ' C' ' 225' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-N19 109.196 1.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 227' ' ' ' DG' . . . . . 0.432 " C5'" ' HG2' ' A' ' 84' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 P-O3'-C3' 121.029 1.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 228' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 105.199 -0.819 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 229' ' ' ' DT' . . . . . 0.671 " H5'" ' HB2' ' A' ' 91' ' ' ARG . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 104.692 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 230' ' ' ' DC' . . . . . 0.532 " O4'" ' HB3' ' A' ' 97' ' ' PHE . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 O4'-C1'-C2' 107.407 1.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 231' ' ' ' DC' . . . . . 0.409 " H2'" ' C6 ' ' C' ' 232' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.856 1.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 232' ' ' ' DC' . . . . . 0.702 " H1'" HG13 ' A' ' 116' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 107.568 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_