data_2me6_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 2me6 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 107.367 -1.345 . . . . 10.0 107.367 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.4 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 33' ' ' SER . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.458 ' OG ' HG11 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 49' ' ' VAL . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.417 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.407 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 107.695 -1.224 . . . . 10.0 107.695 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.669 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.787 0.327 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 144.8 24.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.205 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.72 156.6 65.33 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.538 2.159 . . . . 10.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.5 -58.86 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.162 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.18 141.99 15.78 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.412 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.23 82.05 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 10.0 111.475 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -146.06 144.28 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.225 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.425 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 0.3 OUTLIER -75.38 88.05 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 10.0 110.439 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -65.12 114.22 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.682 ' HA ' " H4'" ' C' ' 20' ' ' ' DA' . 40.8 mtm105 -82.52 79.55 8.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.809 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 167.17 93.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.135 -1.393 . . . . 10.0 107.367 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD12 " H4'" ' B' ' 3' ' ' ' DA' . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.586 ' NH1' " H3'" ' B' ' 4' ' ' ' DC' . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.609 ' OG ' H5'' ' B' ' 3' ' ' ' DA' . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.453 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.577 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.577 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.599 HD12 ' H8 ' ' C' ' 21' ' ' ' DA' . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.638 ' OE1' ' H72' ' B' ' 5' ' ' ' DT' . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.513 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' NH1' " H3'" ' B' ' 5' ' ' ' DT' . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.431 ' HZ2' " H3'" ' B' ' 6' ' ' ' DA' . 0.0 OUTLIER -67.66 -18.39 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.9 mtt180 -82.1 -15.5 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.39 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -105.36 -52.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.779 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -81.07 82.05 7.13 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.07 0.462 . . . . 10.0 110.437 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.59 -165.38 2.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.251 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.5 143.84 16.95 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.829 -0.701 . . . . 10.0 111.714 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -108.02 164.82 11.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.774 0.287 . . . . 10.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -130.9 149.08 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.404 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.158 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.751 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 99.908 -1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.751 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.896 -2.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.593 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.887 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.638 ' H72' ' OE1' ' A' ' 56' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.936 -1.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.431 " H3'" ' HZ2' ' A' ' 63' ' ' LYS . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.395 -2.361 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.433 ' OP2' ' H8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.676 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.54 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.502 -2.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.54 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.51 -2.278 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.763 H2'' ' H73' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . 0.763 ' H73' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.125 0 C3'-C2'-C1' 99.291 -2.435 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.503 -2.284 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.452 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.567 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.588 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.575 H2'' ' C6 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.725 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.575 ' C6 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.958 0 C3'-C2'-C1' 99.599 -2.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.438 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.767 -2.095 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.682 " H4'" ' HA ' ' A' ' 10' ' ' ARG . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.919 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.599 ' H8 ' HD12 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 C3'-C2'-C1' 99.693 -2.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.91 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.64 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.91 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.892 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.892 -2.005 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.499 H2'' ' C5 ' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.405 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.52 H2'' ' H8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.501 -2.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.36 108.16 61.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 172.51 13.22 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.772 2.315 . . . . 10.0 112.733 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.87 161.03 49.11 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.281 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.89 57.9 0.68 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.494 -0.643 . . . . 10.0 111.494 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -127.37 140.82 51.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.926 0.393 . . . . 10.0 111.261 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.752 ' HB3' " H4'" ' B' ' 10' ' ' ' DA' . 1.8 p -96.21 163.44 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.88 -0.785 . . . . 10.0 108.88 177.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.762 ' HD3' " H4'" ' C' ' 20' ' ' ' DA' . 1.0 OUTLIER -70.87 134.1 47.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.294 0.569 . . . . 10.0 111.314 -179.296 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.746 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 2.5 ptp180 -126.9 139.35 53.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.596 ' HG3' H5'' ' C' ' 20' ' ' ' DA' . 24.9 ttt180 -84.17 -12.15 55.38 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -128.97 113.03 14.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.731 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.521 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' NH1' " H3'" ' B' ' 3' ' ' ' DA' . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.458 ' OG ' HG11 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.56 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.894 HG23 " H2'" ' C' ' 21' ' ' ' DA' . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.437 ' OE1' ' H71' ' C' ' 22' ' ' ' DT' . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.671 ' NZ ' " H3'" ' C' ' 20' ' ' ' DA' . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -68.09 -24.89 65.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.7 64.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.743 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.28 -37.54 80.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.287 0.565 . . . . 10.0 110.341 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -117.33 44.02 2.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.428 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.83 65.52 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 10.0 111.199 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.91 158.23 34.49 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.962 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -105.99 109.25 21.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.712 0.291 . . . . 10.0 110.331 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 m -130.84 157.29 43.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.707 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.589 -0.719 . . . . 10.0 110.368 179.644 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.682 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.749 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.749 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.911 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.606 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-C2' 103.933 -1.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.606 ' C5 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.777 -2.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.549 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 99.674 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.582 ' C8 ' ' H73' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C3'-C2'-C1' 99.759 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.582 ' H73' ' C8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 C3'-C2'-C1' 99.763 -2.098 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.893 -2.006 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.752 " H4'" ' HB3' ' A' ' 7' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.71 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.683 ' C8 ' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.341 -2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.242 -2.47 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.446 -2.325 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 C3'-C2'-C1' 99.567 -2.238 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.178 -2.516 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.529 -2.265 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.678 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.678 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 O4'-C1'-C2' 104.038 -1.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.762 " H4'" ' HD3' ' A' ' 8' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C3'-C2'-C1' 99.048 -2.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.894 " H2'" HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.506 -1.061 0 C3'-C2'-C1' 100.235 -1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.773 ' H73' HG12 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.504 ' H71' ' C5 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.418 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . 0.636 H2'' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.636 ' C8 ' H2'' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.107 0 C3'-C2'-C1' 99.815 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.444 ' C6 ' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.499 -2.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.595 H2'' ' C8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.356 -2.389 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.736 0.303 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 89.75 45.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.462 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.04 145.22 21.94 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.462 2.108 . . . . 10.0 112.84 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.0 129.3 9.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.845 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.98 48.26 3.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.7 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.93 158.66 24.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.821 -0.436 . . . . 10.0 109.821 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.2 p -142.9 136.33 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.656 0.265 . . . . 10.0 110.345 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.495 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER -161.96 140.04 8.99 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.44 ' HA ' " H4'" ' B' ' 11' ' ' ' DG' . 19.5 ttt180 -74.45 112.58 10.77 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' CD ' " H5'" ' C' ' 22' ' ' ' DT' . 76.1 mtm-85 -54.79 117.53 3.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.681 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.789 ' HA ' H5'' ' C' ' 20' ' ' ' DA' . 4.4 mtp180 -125.93 136.9 53.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.991 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.464 ' HB ' " H3'" ' C' ' 20' ' ' ' DA' . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.417 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.824 HG23 ' H72' ' C' ' 22' ' ' ' DT' . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.444 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.706 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 22.2 tptm -68.45 -26.31 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -86.27 10.11 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.318 0.58 . . . . 10.0 109.706 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.72 -59.79 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.888 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -81.67 76.39 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.295 0.569 . . . . 10.0 111.011 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.6 -153.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.73 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.03 105.84 1.47 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -113.3 140.27 48.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.664 0.269 . . . . 10.0 110.624 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -91.42 103.52 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.494 -179.313 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.754 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 C3'-C2'-C1' 99.892 -2.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.642 " H2'" ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.581 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.581 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.682 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.706 " H3'" ' NZ ' ' A' ' 63' ' ' LYS . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.709 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.485 H2'' ' C7 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.779 -2.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.563 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.704 H2'' " H5'" ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.704 " H5'" H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.745 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . 0.643 ' H73' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.943 -1.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.566 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.243 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.363 -2.383 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.494 -2.29 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.648 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.806 H2'' ' C5 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 O4'-C1'-C2' 103.856 -2.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.806 ' C5 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.63 -2.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.777 ' H73' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.623 -2.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.789 H5'' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.22 -2.486 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.93 H2'' ' H73' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.506 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.93 ' H73' H2'' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.663 -2.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.597 ' C7 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 C3'-C2'-C1' 99.396 -2.36 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.446 H2'' ' C6 ' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.641 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . 0.446 ' C6 ' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.754 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 99.58 -2.229 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.437 0.16 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 119.18 5.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.316 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.03 141.21 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.583 2.189 . . . . 10.0 111.77 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -122.54 2.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.666 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.05 127.82 25.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.482 -0.389 . . . . 10.0 112.848 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -138.76 129.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -141.05 144.1 34.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.117 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -76.73 86.34 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 110.061 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -70.2 131.57 44.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.258 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' C ' " H5'" ' C' ' 20' ' ' ' DA' . 4.4 ptt180 -78.45 65.47 3.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.822 0.82 . . . . 10.0 109.983 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' N ' " H5'" ' C' ' 20' ' ' ' DA' . 0.1 OUTLIER -169.91 95.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.005 -1.452 . . . . 10.0 107.695 178.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.741 ' H ' H5'' ' C' ' 20' ' ' ' DA' . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.669 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.669 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 HH12 " H3'" ' B' ' 4' ' ' ' DC' . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.698 HG22 ' H71' ' C' ' 22' ' ' ' DT' . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.637 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 0.0 OUTLIER -65.53 -22.09 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -73.48 -24.78 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.344 0.593 . . . . 10.0 110.205 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.17 -29.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.141 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -84.08 42.13 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.739 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.26 161.35 35.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.357 . . . . 10.0 111.153 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.55 154.45 23.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.713 -0.756 . . . . 10.0 111.686 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.95 -164.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 10.0 110.725 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.75 153.42 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.284 -0.865 . . . . 10.0 111.204 179.676 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 C3'-C2'-C1' 99.426 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DG' . . . . . 0.613 ' H8 ' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.509 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.528 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.47 ' C5 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 O4'-C1'-C2' 103.77 -2.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.703 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 O4'-C1'-C2' 103.861 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.703 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.783 -2.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.406 H2'' ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.857 0 C3'-C2'-C1' 99.465 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.406 ' C7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.654 -2.175 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.522 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.577 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.522 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.416 -2.346 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.579 ' H8 ' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DT' . . . . . 0.525 ' C7 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.56 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.412 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.537 ' H8 ' ' OP2' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.672 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 O4'-C1'-C2' 103.834 -2.06 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.672 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.264 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.457 H2'' ' C6 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 C3'-C2'-C1' 99.83 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DC' . . . . . 0.696 H2'' ' C7 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C3'-C2'-C1' 99.422 -2.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DT' . . . . . 0.696 ' C7 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 O4'-C1'-C2' 103.903 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DA' . . . . . 0.741 H5'' ' H ' ' A' ' 12' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DA' . . . . . 0.709 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.698 ' H71' HG22 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.039 0 C3'-C2'-C1' 99.625 -2.197 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.489 H2'' ' C7 ' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.489 ' C7 ' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 107.367 -1.345 . . . . 10.0 107.367 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE2' HD23 ' A' ' 32' ' ' LEU . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.417 ' O ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 34' ' ' LEU . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' SER . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.463 ' OG ' HG12 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HG13 ' A' ' 51' ' ' VAL . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 37' ' ' ARG . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 107.695 -1.224 . . . . 10.0 107.695 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.69 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' SER . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 45' ' ' LYS . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.787 0.327 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 144.8 24.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.205 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.72 156.6 65.33 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.538 2.159 . . . . 10.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.5 -58.86 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.162 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.18 141.99 15.78 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.412 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.23 82.05 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 10.0 111.475 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -146.06 144.28 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.225 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 0.3 OUTLIER -75.38 88.05 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 10.0 110.439 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -65.12 114.22 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.739 ' HA ' " H4'" ' C' ' 20' ' ' ' DA' . 40.8 mtm105 -82.52 79.55 8.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.809 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 167.17 93.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.135 -1.393 . . . . 10.0 107.367 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE2' HD23 ' A' ' 32' ' ' LEU . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 " H4'" ' B' ' 3' ' ' ' DA' . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' NH1' " H3'" ' B' ' 4' ' ' ' DC' . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.6 ' OG ' H5'' ' B' ' 3' ' ' ' DA' . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' H8 ' ' C' ' 21' ' ' ' DA' . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.417 ' O ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.512 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -18.39 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.429 HH22 " H2'" ' C' ' 18' ' ' ' DC' . 43.9 mtt180 -82.1 -15.5 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.39 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -105.36 -52.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.779 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -81.07 82.05 7.13 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.07 0.462 . . . . 10.0 110.437 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.59 -165.38 2.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.251 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.5 143.84 16.95 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.829 -0.701 . . . . 10.0 111.714 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -108.02 164.82 11.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.774 0.287 . . . . 10.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -130.9 149.08 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.404 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.158 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.767 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 99.908 -1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.767 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.896 -2.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.606 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.887 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.462 ' C6 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.936 -1.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.395 -2.361 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.43 ' OP2' ' H8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.676 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.41 H2'' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.563 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.502 -2.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.563 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.51 -2.278 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.452 H2'' ' H71' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . 0.452 ' H71' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.125 0 C3'-C2'-C1' 99.291 -2.435 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.503 -2.284 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.476 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.586 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.588 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.586 ' C8 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.725 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.586 ' C6 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.958 0 C3'-C2'-C1' 99.599 -2.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.458 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.767 -2.095 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.739 " H4'" ' HA ' ' A' ' 10' ' ' ARG . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.919 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.609 ' H8 ' HD13 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 C3'-C2'-C1' 99.693 -2.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.816 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.64 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.816 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.892 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.892 -2.005 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.519 H2'' ' C5 ' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.405 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.53 H2'' ' H8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.501 -2.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.36 108.16 61.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 172.51 13.22 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.772 2.315 . . . . 10.0 112.733 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.87 161.03 49.11 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.281 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.89 57.9 0.68 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.494 -0.643 . . . . 10.0 111.494 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -127.37 140.82 51.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.926 0.393 . . . . 10.0 111.261 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.77 ' HB3' " H4'" ' B' ' 10' ' ' ' DA' . 1.8 p -96.21 163.44 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.88 -0.785 . . . . 10.0 108.88 177.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD3' " H4'" ' C' ' 20' ' ' ' DA' . 1.0 OUTLIER -70.87 134.1 47.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.294 0.569 . . . . 10.0 111.314 -179.296 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.742 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 2.5 ptp180 -126.9 139.35 53.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.587 ' HG3' H5'' ' C' ' 20' ' ' ' DA' . 24.9 ttt180 -84.17 -12.15 55.38 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -128.97 113.03 14.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.731 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' H ' HD22 ' A' ' 34' ' ' LEU . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.535 HH12 " H3'" ' B' ' 3' ' ' ' DA' . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.463 ' OG ' HG12 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 1.075 HG21 " H2'" ' C' ' 21' ' ' ' DA' . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.675 HE22 ' H73' ' C' ' 22' ' ' ' DT' . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' NZ ' " H3'" ' C' ' 20' ' ' ' DA' . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -68.09 -24.89 65.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.7 64.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.743 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.28 -37.54 80.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.287 0.565 . . . . 10.0 110.341 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -117.33 44.02 2.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.428 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.83 65.52 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 10.0 111.199 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.91 158.23 34.49 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.962 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -105.99 109.25 21.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.712 0.291 . . . . 10.0 110.331 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 m -130.84 157.29 43.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.707 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.589 -0.719 . . . . 10.0 110.368 179.644 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.682 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.765 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.765 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.911 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.62 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-C2' 103.933 -1.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.62 ' C5 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.777 -2.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.567 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 99.674 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.491 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C3'-C2'-C1' 99.759 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.491 ' H71' " C2'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 C3'-C2'-C1' 99.763 -2.098 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.893 -2.006 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.77 " H4'" ' HB3' ' A' ' 7' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.71 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.699 ' C8 ' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.341 -2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.242 -2.47 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.446 -2.325 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 C3'-C2'-C1' 99.567 -2.238 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.178 -2.516 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.529 -2.265 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.691 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.691 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 O4'-C1'-C2' 104.038 -1.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.778 " H4'" ' HD3' ' A' ' 8' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C3'-C2'-C1' 99.048 -2.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 1.075 " H2'" HG21 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.506 -1.061 0 C3'-C2'-C1' 100.235 -1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.844 ' C7 ' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.443 ' H73' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.418 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . 0.653 H2'' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.653 ' C8 ' H2'' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.107 0 C3'-C2'-C1' 99.815 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.459 ' C6 ' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.499 -2.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.356 -2.389 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.736 0.303 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 89.75 45.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.462 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.04 145.22 21.94 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.462 2.108 . . . . 10.0 112.84 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.0 129.3 9.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.845 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.98 48.26 3.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.7 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.93 158.66 24.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.821 -0.436 . . . . 10.0 109.821 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.2 p -142.9 136.33 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.656 0.265 . . . . 10.0 110.345 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER -161.96 140.04 8.99 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' " H4'" ' B' ' 11' ' ' ' DG' . 19.5 ttt180 -74.45 112.58 10.77 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HD2' " H5'" ' C' ' 22' ' ' ' DT' . 76.1 mtm-85 -54.79 117.53 3.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.681 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HA ' H5'' ' C' ' 20' ' ' ' DA' . 4.4 mtp180 -125.93 136.9 53.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.991 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 ' HB ' " H3'" ' C' ' 20' ' ' ' DA' . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HG13 ' A' ' 51' ' ' VAL . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 37' ' ' ARG . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.972 HG21 ' H72' ' C' ' 22' ' ' ' DT' . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 22.2 tptm -68.45 -26.31 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -86.27 10.11 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.318 0.58 . . . . 10.0 109.706 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.72 -59.79 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.888 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -81.67 76.39 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.295 0.569 . . . . 10.0 111.011 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.6 -153.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.73 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.03 105.84 1.47 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -113.3 140.27 48.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.664 0.269 . . . . 10.0 110.624 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -91.42 103.52 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.494 -179.313 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.754 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 C3'-C2'-C1' 99.892 -2.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.631 " H2'" ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.602 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.602 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.696 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.696 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.709 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.488 H2'' ' C7 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.779 -2.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.58 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.737 H2'' " H5'" ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.737 " H5'" H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.745 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . 0.574 H2'' ' C6 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.943 -1.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.574 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.243 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.363 -2.383 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.494 -2.29 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.665 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.816 H2'' ' C5 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 O4'-C1'-C2' 103.856 -2.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.816 ' C5 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.63 -2.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.658 ' H71' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.623 -2.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.797 H5'' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.22 -2.486 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.631 ' OP2' ' H8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.506 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.972 ' H72' HG21 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.663 -2.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.619 ' H73' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 C3'-C2'-C1' 99.396 -2.36 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.467 H2'' ' H71' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.467 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.641 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . 0.466 ' C6 ' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.754 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 99.58 -2.229 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.437 0.16 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 119.18 5.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.316 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.03 141.21 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.583 2.189 . . . . 10.0 111.77 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -122.54 2.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.666 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.05 127.82 25.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.482 -0.389 . . . . 10.0 112.848 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -138.76 129.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -141.05 144.1 34.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.117 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -76.73 86.34 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 110.061 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -70.2 131.57 44.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.258 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' C ' " H5'" ' C' ' 20' ' ' ' DA' . 4.4 ptt180 -78.45 65.47 3.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.822 0.82 . . . . 10.0 109.983 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' N ' " H5'" ' C' ' 20' ' ' ' DA' . 0.1 OUTLIER -169.91 95.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.005 -1.452 . . . . 10.0 107.695 178.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.762 ' H ' H5'' ' C' ' 20' ' ' ' DA' . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD13 " H5'" ' B' ' 4' ' ' ' DC' . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.458 HH12 " H3'" ' B' ' 4' ' ' ' DC' . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' SER . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 45' ' ' LYS . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.764 HD13 ' H72' ' C' ' 22' ' ' ' DT' . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.619 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 0.0 OUTLIER -65.53 -22.09 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -73.48 -24.78 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.344 0.593 . . . . 10.0 110.205 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.17 -29.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.141 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -84.08 42.13 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.739 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.26 161.35 35.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.357 . . . . 10.0 111.153 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.55 154.45 23.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.713 -0.756 . . . . 10.0 111.686 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.95 -164.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 10.0 110.725 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.75 153.42 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.284 -0.865 . . . . 10.0 111.204 179.676 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 C3'-C2'-C1' 99.426 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DG' . . . . . 0.613 ' H8 ' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.509 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.731 " H5'" HD13 ' A' ' 34' ' ' LEU . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 O4'-C1'-C2' 103.77 -2.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.716 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 O4'-C1'-C2' 103.861 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.716 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.783 -2.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.412 H2'' ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.857 0 C3'-C2'-C1' 99.465 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.412 ' C7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.654 -2.175 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.539 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.577 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.539 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.416 -2.346 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.579 ' H8 ' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DT' . . . . . 0.546 ' C7 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.56 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.433 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.412 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ' DG' . . . . . 0.536 ' H8 ' ' OP2' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.68 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 O4'-C1'-C2' 103.834 -2.06 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.68 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.264 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.469 H2'' ' C6 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 C3'-C2'-C1' 99.83 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DC' . . . . . 0.701 H2'' ' C7 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C3'-C2'-C1' 99.422 -2.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DT' . . . . . 0.701 ' C7 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 O4'-C1'-C2' 103.903 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DA' . . . . . 0.762 H5'' ' H ' ' A' ' 12' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DA' . . . . . 0.723 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.764 ' H72' HD13 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.401 ' H73' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.039 0 C3'-C2'-C1' 99.625 -2.197 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.593 H2'' ' H71' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.593 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.172 0 N-CA-C 107.367 -1.345 . . . . 10.0 107.367 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE2' HD23 ' A' ' 32' ' ' LEU . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' A' ' 18' ' ' GLN . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.417 ' O ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.413 ' HB2' ' NH1' ' A' ' 58' ' ' ARG . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.731 -0.47 . . . . 10.0 109.731 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD22 ' H ' ' A' ' 34' ' ' LEU . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 33' ' ' SER . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.463 ' OG ' HG12 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 49' ' ' VAL . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 . . . . . 0 N--CA 1.447 -0.584 0 N-CA-C 109.991 -0.374 . . . . 10.0 109.991 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HG13 ' A' ' 51' ' ' VAL . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 37' ' ' ARG . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 56' ' ' GLN . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.2 tptm . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 107.695 -1.224 . . . . 10.0 107.695 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.69 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' SER . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 45' ' ' LYS . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 120.787 0.327 . . . . 10.0 110.585 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 144.8 24.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.205 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -67.72 156.6 65.33 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.538 2.159 . . . . 10.0 112.505 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.5 -58.86 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.89 -0.672 . . . . 10.0 112.162 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -93.18 141.99 15.78 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.412 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -141.23 82.05 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 10.0 111.475 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.6 m -146.06 144.28 29.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.514 -0.312 . . . . 10.0 110.225 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 0.3 OUTLIER -75.38 88.05 2.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.896 0.379 . . . . 10.0 110.439 179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -65.12 114.22 4.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.124 -0.695 . . . . 10.0 109.124 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.739 ' HA ' " H4'" ' C' ' 20' ' ' ' DA' . 40.8 mtm105 -82.52 79.55 8.93 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.978 -0.556 . . . . 10.0 109.809 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HB2' ' O ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER 167.17 93.78 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.135 -1.393 . . . . 10.0 107.367 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -39.9 120.62 1.17 Allowed 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.061 0.85 . . . . 10.0 112.78 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.71 94.02 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.591 -0.731 . . . . 10.0 111.475 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -102.76 148.09 26.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.207 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 t -117.51 163.97 15.61 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.003 -0.544 . . . . 10.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.3 m -56.26 -44.27 79.56 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.311 0.486 . . . . 10.0 112.311 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -61.81 -38.93 89.96 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.207 0.527 . . . . 10.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' NE2' HD21 ' A' ' 46' ' ' LEU . 25.7 tt0 -74.92 -43.66 53.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.523 -0.762 . . . . 10.0 110.652 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.9 tp -57.83 -32.06 67.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.589 -0.732 . . . . 10.0 111.349 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 28.5 tp -56.77 -49.13 76.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 10.0 111.368 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -87.29 -26.34 23.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.622 -0.263 . . . . 10.0 111.463 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.2 tp -67.43 -48.74 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.989 0.423 . . . . 10.0 110.742 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.44 ' O ' ' HD2' ' A' ' 27' ' ' HIS . 3.6 mm-40 -66.17 -22.23 66.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 10.0 111.255 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.0 tttp -55.0 -50.27 69.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.74 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -71.49 -33.51 69.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.989 -0.551 . . . . 10.0 111.271 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -61.3 -26.41 67.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.993 0.425 . . . . 10.0 111.187 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HD2' ' O ' ' A' ' 23' ' ' GLU . 43.3 m-70 -102.11 9.91 39.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.981 0.42 . . . . 10.0 110.287 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.5 -60.17 1.91 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.52 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.414 ' HE2' HD23 ' A' ' 32' ' ' LEU . 25.1 pttm -154.75 146.87 23.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.85 0.357 . . . . 10.0 110.317 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -91.31 8.5 35.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.428 -0.351 . . . . 10.0 111.865 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -132.69 122.64 24.92 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.081 0.467 . . . . 10.0 110.296 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.415 ' HB2' ' HD2' ' A' ' 37' ' ' ARG . 95.6 mt -109.21 135.11 50.84 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.433 . . . . 10.0 110.587 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 176.8 9.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.617 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD11 " H4'" ' B' ' 3' ' ' ' DA' . 0.2 OUTLIER -59.5 -43.6 93.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.192 0.52 . . . . 10.0 110.415 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.6 t -79.32 9.27 4.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.318 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -115.28 -58.0 2.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.078 0.466 . . . . 10.0 109.996 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.59 ' NH1' " H3'" ' B' ' 4' ' ' ' DC' . 1.7 mtt180 -60.79 -42.45 97.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.72 -0.673 . . . . 10.0 111.295 -179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.6 ' OG ' H5'' ' B' ' 3' ' ' ' DA' . 3.1 m -81.97 4.58 22.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 10.0 111.984 -178.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 5.6 mm-40 -108.04 -41.7 4.87 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.694 -0.402 . . . . 10.0 111.48 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.2 mt -60.63 -38.63 78.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.044 0.45 . . . . 10.0 110.62 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.55 -8.49 58.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 10.0 111.245 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -103.5 -16.6 15.51 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.2 -0.454 . . . . 10.0 110.561 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.06 -35.6 71.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.78 -167.76 1.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.088 -0.505 . . . . 10.0 110.229 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.2 pttm -78.51 78.41 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.945 0.402 . . . . 10.0 110.649 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.441 HD21 ' NE2' ' A' ' 18' ' ' GLN . 6.1 mt -140.11 178.62 7.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.403 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -137.91 137.1 37.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.559 -0.534 . . . . 10.0 109.559 178.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 21.5 mp0 -52.28 -33.71 43.25 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.651 0.612 . . . . 10.0 112.651 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 67.5 t -62.06 -43.16 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 10.0 111.671 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.0 mt-30 -65.36 -36.31 83.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.412 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.0 t -73.48 -14.82 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.339 0.59 . . . . 10.0 110.943 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.579 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 16.4 mttm -82.64 -47.14 12.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.338 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' H8 ' ' C' ' 21' ' ' ' DA' . 9.4 mt -57.87 -33.53 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 CA-C-O 120.798 0.332 . . . . 10.0 110.545 -179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.417 ' O ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 m95 -55.18 -41.77 72.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.952 -0.567 . . . . 10.0 111.006 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -83.02 -38.84 22.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.575 . . . . 10.0 111.073 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -56.26 -49.67 73.53 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 10.0 111.83 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.512 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 69.9 m-20 -59.26 -28.07 66.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.183 -0.462 . . . . 10.0 112.198 -178.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HD2' ' O ' ' A' ' 54' ' ' TRP . 0.0 OUTLIER -76.63 -40.8 48.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.026 0.441 . . . . 10.0 110.269 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -78.52 -24.06 45.96 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.315 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.64 -33.43 70.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.483 . . . . 10.0 110.851 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.3 mptt -70.69 -32.73 70.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.588 . . . . 10.0 110.506 179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 39.1 m95 -73.71 -32.8 64.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.112 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -18.39 64.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.331 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.429 HH22 " H2'" ' C' ' 18' ' ' ' DC' . 43.9 mtt180 -82.1 -15.5 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.39 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.4 mt -105.36 -52.12 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.779 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -81.07 82.05 7.13 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.07 0.462 . . . . 10.0 110.437 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -153.59 -165.38 2.12 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.251 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.5 143.84 16.95 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.829 -0.701 . . . . 10.0 111.714 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -108.02 164.82 11.95 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.774 0.287 . . . . 10.0 110.554 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.1 p -130.9 149.08 33.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.404 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.246 -0.883 . . . . 10.0 111.158 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.762 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.93 0 C3'-C2'-C1' 99.668 -2.166 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.767 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.903 0 C3'-C2'-C1' 99.908 -1.995 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.767 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.896 -2.003 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.606 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.83 0 O4'-C1'-C2' 103.887 -2.012 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.462 ' C6 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.865 0 C3'-C2'-C1' 99.936 -1.974 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.978 0 C3'-C2'-C1' 99.395 -2.361 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.43 ' OP2' ' H8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.676 -2.16 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.41 H2'' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.974 0 C3'-C2'-C1' 99.776 -2.089 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.563 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.502 -2.284 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.563 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 99.51 -2.278 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.452 H2'' ' H71' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.995 0 C3'-C2'-C1' 99.327 -2.409 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . 0.452 ' H71' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.893 0 C3'-C2'-C1' 99.771 -2.092 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.125 0 C3'-C2'-C1' 99.291 -2.435 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.059 0 C3'-C2'-C1' 99.503 -2.284 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.476 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.102 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.586 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.588 -2.223 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.586 ' C8 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.725 -2.125 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.586 ' C6 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.958 0 C3'-C2'-C1' 99.599 -2.215 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.458 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.082 0 C3'-C2'-C1' 99.767 -2.095 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.739 " H4'" ' HA ' ' A' ' 10' ' ' ARG . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.919 -1.986 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.609 ' H8 ' HD13 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -1.019 0 C3'-C2'-C1' 99.693 -2.148 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.816 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-C1' 99.64 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.816 ' H72' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.892 0 C3'-C2'-C1' 99.42 -2.343 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.806 0 C3'-C2'-C1' 99.526 -2.267 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.892 -2.005 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.519 H2'' ' C5 ' ' C' ' 27' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.405 -2.353 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.53 H2'' ' H8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.501 -2.285 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.762 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 110.137 -0.32 . . . . 10.0 110.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.36 108.16 61.4 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -80.71 172.51 13.22 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.772 2.315 . . . . 10.0 112.733 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.87 161.03 49.11 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.828 -0.624 . . . . 10.0 112.281 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 104.89 57.9 0.68 Allowed Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.494 -0.643 . . . . 10.0 111.494 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -127.37 140.82 51.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.926 0.393 . . . . 10.0 111.261 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.77 ' HB3' " H4'" ' B' ' 10' ' ' ' DA' . 1.8 p -96.21 163.44 13.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.88 -0.785 . . . . 10.0 108.88 177.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD3' " H4'" ' C' ' 20' ' ' ' DA' . 1.0 OUTLIER -70.87 134.1 47.01 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.294 0.569 . . . . 10.0 111.314 -179.296 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.742 ' HG2' " H4'" ' C' ' 21' ' ' ' DA' . 2.5 ptp180 -126.9 139.35 53.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.332 -0.988 . . . . 10.0 108.332 177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.587 ' HG3' H5'' ' C' ' 20' ' ' ' DA' . 24.9 ttt180 -84.17 -12.15 55.38 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.923 -0.711 . . . . 10.0 109.276 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 -128.97 113.03 14.69 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.218 -0.901 . . . . 10.0 109.731 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.96 141.36 37.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.958 0.409 . . . . 10.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.85 99.53 12.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.326 -0.397 . . . . 10.0 110.73 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -127.64 -179.04 4.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.309 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -151.15 169.55 21.59 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.7 m -59.68 -35.56 74.71 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -64.2 -34.97 79.31 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.028 0.442 . . . . 10.0 110.519 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -93.87 1.23 56.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.818 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 tp -108.41 -14.55 14.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.074 0.464 . . . . 10.0 110.148 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.96 -50.53 72.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.267 -0.879 . . . . 10.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -107.48 60.64 0.62 Allowed 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.112 178.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.3 tp -157.4 -33.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.834 -1.076 . . . . 10.0 110.321 -179.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -115.76 8.7 14.95 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.108 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -88.64 -38.09 15.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.525 0.678 . . . . 10.0 109.222 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 1.9 pm0 -67.61 -34.95 78.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.914 -1.039 . . . . 10.0 110.22 178.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.53 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 30.2 m-85 -72.24 -8.59 55.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.97 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -87.18 -10.86 51.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.397 0.618 . . . . 10.0 109.67 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -112.61 -34.66 5.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.54 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' PHE . 20.0 pttm -157.2 158.84 36.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.461 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 9.5 mptt -100.0 11.17 39.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.592 0.234 . . . . 10.0 111.622 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -128.99 153.67 47.34 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.967 -0.383 . . . . 10.0 109.967 179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 31.1 mt -118.31 113.23 21.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.832 0.349 . . . . 10.0 111.306 -179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.3 OUTLIER -74.76 171.21 14.35 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.45 179.089 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' H ' HD22 ' A' ' 34' ' ' LEU . 2.9 mm? -62.04 -41.8 98.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.006 0.431 . . . . 10.0 110.574 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.63 -40.4 96.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.458 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.61 -45.31 87.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.069 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.535 HH12 " H3'" ' B' ' 3' ' ' ' DA' . 12.9 mtt180 -69.35 -3.88 15.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.495 -179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.6 m -83.47 -22.11 32.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.881 0.372 . . . . 10.0 110.348 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.35 -42.21 4.66 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.273 179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.51 129.28 22.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.416 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 62.84 19.2 11.34 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.927 -0.579 . . . . 10.0 111.811 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -125.0 -25.96 3.79 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.773 0.321 . . . . 10.0 110.762 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -100.04 16.71 23.11 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.518 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -156.62 -179.8 8.54 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.955 -0.387 . . . . 10.0 109.955 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -82.61 35.91 0.47 Allowed 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.847 0.684 . . . . 10.0 112.847 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.14 -166.39 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.463 ' OG ' HG12 ' A' ' 49' ' ' VAL . 28.7 t -147.04 142.98 28.03 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.94 -33.34 75.36 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.58 . . . . 10.0 110.448 -179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 53' ' ' ILE . 7.2 p -63.74 -34.6 69.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.51 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -47.53 79.19 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.1 t -61.82 -32.14 53.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.885 -0.598 . . . . 10.0 110.442 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -63.76 -49.72 71.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.213 179.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 1.075 HG21 " H2'" ' C' ' 21' ' ' ' DA' . 1.3 mt -77.07 -26.54 15.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.862 0.363 . . . . 10.0 110.281 -178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.5 t-105 -64.02 -38.5 91.31 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 108.344 -0.984 . . . . 10.0 108.344 177.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -69.34 -33.39 73.04 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.054 -0.976 . . . . 10.0 109.726 178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.675 HE22 ' H73' ' C' ' 22' ' ' ' DT' . 28.2 mt-30 -67.7 -22.71 65.26 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.36 -0.837 . . . . 10.0 110.967 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -11.36 53.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.455 -0.339 . . . . 10.0 111.438 -179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 24.5 ttt180 -109.95 -55.78 2.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.7 ttt180 -68.22 -57.96 5.18 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.613 0.597 . . . . 10.0 112.613 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.11 77.3 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.864 0.32 . . . . 10.0 111.864 -178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.694 ' NZ ' " H3'" ' C' ' 20' ' ' ' DA' . 10.1 mptt -67.96 -37.36 81.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.769 0.318 . . . . 10.0 110.333 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -69.56 -44.32 71.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.119 179.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -68.09 -24.89 65.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.923 -0.581 . . . . 10.0 110.524 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.7 64.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.743 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.5 mt -64.28 -37.54 80.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 121.287 0.565 . . . . 10.0 110.341 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 ptpt -117.33 44.02 2.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.428 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.83 65.52 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.171 0.51 . . . . 10.0 111.199 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.91 158.23 34.49 Favored Glycine 0 N--CA 1.445 -0.758 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.962 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -105.99 109.25 21.14 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.712 0.291 . . . . 10.0 110.331 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 m -130.84 157.29 43.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.053 -0.521 . . . . 10.0 109.707 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.589 -0.719 . . . . 10.0 110.368 179.644 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 99.682 -2.155 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.765 H2'' ' C8 ' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.765 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.911 0 C3'-C2'-C1' 99.59 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.62 H2'' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.84 0 O4'-C1'-C2' 103.933 -1.97 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.62 ' C5 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.777 -2.088 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.567 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.028 0 C3'-C2'-C1' 99.674 -2.162 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.491 " C2'" ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.954 0 C3'-C2'-C1' 99.759 -2.101 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.491 ' H71' " C2'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.808 0 C3'-C2'-C1' 99.763 -2.098 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.944 0 O4'-C1'-C2' 103.893 -2.006 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.77 " H4'" ' HB3' ' A' ' 7' ' ' SER . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.71 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.699 ' C8 ' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.341 -2.399 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.964 0 C3'-C2'-C1' 99.242 -2.47 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.134 0 C3'-C2'-C1' 99.294 -2.433 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.926 0 C3'-C2'-C1' 99.446 -2.325 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 C3'-C2'-C1' 99.567 -2.238 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.178 -2.516 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 99.529 -2.265 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.691 H2'' ' C5 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.963 0 C3'-C2'-C1' 99.829 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.691 ' C5 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 O4'-C1'-C2' 104.038 -1.874 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.778 " H4'" ' HD3' ' A' ' 8' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C3'-C2'-C1' 99.048 -2.609 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 1.075 " H2'" HG21 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.506 -1.061 0 C3'-C2'-C1' 100.235 -1.761 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.844 ' C7 ' HG23 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 99.724 -2.126 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.443 ' H73' ' H72' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 99.418 -2.344 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . 0.653 H2'' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.653 ' C8 ' H2'' ' C' ' 24' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.107 0 C3'-C2'-C1' 99.815 -2.061 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.459 ' C6 ' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.945 0 C3'-C2'-C1' 99.499 -2.287 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.613 H2'' ' C8 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.356 -2.389 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.473 0.689 0 CA-C-O 120.736 0.303 . . . . 10.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.77 89.75 45.6 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.407 -0.36 . . . . 10.0 110.462 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -78.04 145.22 21.94 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.462 2.108 . . . . 10.0 112.84 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.0 129.3 9.65 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.744 -0.741 . . . . 10.0 112.845 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 89.98 48.26 3.65 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.939 -0.648 . . . . 10.0 112.7 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.93 158.66 24.5 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.821 -0.436 . . . . 10.0 109.821 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.2 p -142.9 136.33 28.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.656 0.265 . . . . 10.0 110.345 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.48 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER -161.96 140.04 8.99 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.691 -0.485 . . . . 10.0 109.691 179.233 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' HA ' " H4'" ' B' ' 11' ' ' ' DG' . 19.5 ttt180 -74.45 112.58 10.77 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 108.571 -0.9 . . . . 10.0 108.571 178.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HD2' " H5'" ' C' ' 22' ' ' ' DT' . 76.1 mtm-85 -54.79 117.53 3.47 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 10.0 109.681 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.797 ' HA ' H5'' ' C' ' 20' ' ' ' DA' . 4.4 mtp180 -125.93 136.9 53.56 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.991 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 ' HB ' " H3'" ' C' ' 20' ' ' ' DA' . 4.6 t -60.76 137.32 58.21 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -124.34 98.48 5.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.872 0.368 . . . . 10.0 111.073 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -131.99 132.72 43.71 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.759 -0.655 . . . . 10.0 110.296 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.6 t -90.76 170.3 10.24 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.022 -0.536 . . . . 10.0 110.622 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -35.61 79.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.134 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.17 -30.35 71.25 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.457 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -79.76 -41.19 27.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.998 0.427 . . . . 10.0 110.106 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.9 tp -68.2 -23.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.013 -0.539 . . . . 10.0 111.072 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.9 tp -50.3 -48.21 55.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.969 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.92 -29.61 14.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.879 0.371 . . . . 10.0 111.018 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.54 -42.36 96.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.246 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.89 -2.89 52.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.049 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HE2' ' HB3' ' A' ' 24' ' ' LYS . 5.7 tmmm? -94.75 -55.14 3.22 Favored 'General case' 0 C--N 1.32 -0.709 0 C-N-CA 121.024 -0.27 . . . . 10.0 110.828 -179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -59.07 -31.6 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.069 -0.514 . . . . 10.0 112.234 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -2.33 5.87 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 121.033 0.444 . . . . 10.0 112.024 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -102.09 -36.82 8.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.712 0.291 . . . . 10.0 110.431 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.79 -26.81 27.27 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.268 -0.423 . . . . 10.0 111.321 -179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -153.31 163.14 40.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.498 -0.319 . . . . 10.0 110.283 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -136.04 -3.62 2.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.957 0.408 . . . . 10.0 110.883 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.55 130.65 55.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.234 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -110.08 99.59 8.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.522 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' HB2' ' A' ' 36' ' ' GLU . 1.4 m -76.56 82.56 3.24 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.643 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? 52.25 -89.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.5 0.72 . . . . 10.0 112.725 179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 39' ' ' GLN . 0.2 OUTLIER -58.19 -27.77 64.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.529 -0.305 . . . . 10.0 111.299 -179.413 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 19.0 mm-40 -63.82 -22.99 67.18 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 120.994 0.426 . . . . 10.0 110.455 179.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HD2' HG13 ' A' ' 51' ' ' VAL . 3.3 tpp180 -76.53 -34.59 58.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.057 -0.72 . . . . 10.0 109.057 178.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.3 m -76.21 -27.68 56.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.502 -0.772 . . . . 10.0 111.502 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.506 ' HG3' ' HA ' ' A' ' 36' ' ' GLU . 15.7 mm-40 -52.9 -48.62 67.08 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.04 0.447 . . . . 10.0 110.567 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.3 mt -65.81 -49.79 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.668 -0.697 . . . . 10.0 111.279 -179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.1 -28.31 69.99 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.718 -0.673 . . . . 10.0 112.244 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -96.83 3.79 52.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.696 0.284 . . . . 10.0 110.868 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.2 -49.55 5.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 10.0 109.585 179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.72 -166.78 1.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.587 -0.733 . . . . 10.0 109.467 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 74.62 10.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.198 0.523 . . . . 10.0 110.247 179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.96 167.47 21.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.935 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.1 p -130.75 153.53 48.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.0 mp0 -72.78 0.55 10.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.285 -0.416 . . . . 10.0 111.423 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.8 m -98.57 -33.09 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.744 -0.207 . . . . 10.0 111.174 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.58 -49.23 22.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.144 0.497 . . . . 10.0 110.159 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 HG13 ' HD2' ' A' ' 37' ' ' ARG . 9.5 p -74.93 4.01 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 CA-C-O 121.702 0.763 . . . . 10.0 110.659 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -77.16 -64.18 1.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.382 -0.827 . . . . 10.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.972 HG21 ' H72' ' C' ' 22' ' ' ' DT' . 17.1 mt -72.43 -26.35 24.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.538 -0.755 . . . . 10.0 110.605 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -60.35 -39.63 87.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 10.0 111.322 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -70.18 -24.49 63.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.87 0.367 . . . . 10.0 110.705 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.419 ' HB3' ' O ' ' A' ' 53' ' ' ILE . 0.3 OUTLIER -69.8 -37.63 76.35 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.472 -0.566 . . . . 10.0 109.472 179.279 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.434 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 84.0 m-20 -59.33 -33.15 70.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.953 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -72.66 -32.95 66.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.684 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 24.4 mtt85 -78.07 -27.02 48.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.177 -0.465 . . . . 10.0 110.616 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.01 -33.58 65.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.896 -0.593 . . . . 10.0 111.097 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -71.45 -49.6 39.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.107 -0.497 . . . . 10.0 111.342 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -70.55 -33.33 71.01 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 111.809 0.3 . . . . 10.0 111.809 -178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.694 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 22.2 tptm -68.45 -26.31 65.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 10.0 111.286 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -86.27 10.11 15.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.318 0.58 . . . . 10.0 109.706 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.0 mt -121.72 -59.79 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-N 115.503 -0.772 . . . . 10.0 109.888 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 42.4 tttm -81.67 76.39 8.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.295 0.569 . . . . 10.0 111.011 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.6 -153.69 0.27 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.471 -0.786 . . . . 10.0 109.73 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.03 105.84 1.47 Allowed Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.925 -0.655 . . . . 10.0 111.803 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -113.3 140.27 48.14 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.664 0.269 . . . . 10.0 110.624 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -91.42 103.52 14.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.918 -0.401 . . . . 10.0 109.918 179.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.222 -0.894 . . . . 10.0 110.494 -179.313 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.754 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.968 0 C3'-C2'-C1' 99.892 -2.006 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.631 " H2'" ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 99.658 -2.173 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.602 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.602 ' C6 ' H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.536 -2.26 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.696 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.756 -2.103 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.696 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.038 0 C3'-C2'-C1' 99.709 -2.136 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.967 0 C3'-C2'-C1' 99.628 -2.195 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.488 H2'' ' C7 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.96 0 C3'-C2'-C1' 99.779 -2.086 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.58 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.586 -2.224 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.737 H2'' " H5'" ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 99.525 -2.268 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.737 " H5'" H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-C1' 99.745 -2.111 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . 0.574 H2'' ' C6 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 99.943 -1.969 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.574 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.842 0 C3'-C2'-C1' 99.243 -2.47 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.03 0 C3'-C2'-C1' 99.363 -2.383 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.494 -2.29 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.665 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.055 0 C3'-C2'-C1' 99.739 -2.115 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.816 H2'' ' C5 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.897 0 O4'-C1'-C2' 103.856 -2.04 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.816 ' C5 ' H2'' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-C1' 99.63 -2.193 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.658 ' H71' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.915 0 C3'-C2'-C1' 99.623 -2.198 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.797 H5'' ' HA ' ' A' ' 11' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 99.22 -2.486 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.631 ' OP2' ' H8 ' ' C' ' 21' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.859 0 C3'-C2'-C1' 99.506 -2.281 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.972 ' H72' HG21 ' A' ' 53' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 C3'-C2'-C1' 99.663 -2.17 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.619 ' H73' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.131 0 C3'-C2'-C1' 99.396 -2.36 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.776 0 C3'-C2'-C1' 99.643 -2.184 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.467 H2'' ' H71' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.535 -2.261 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.467 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.987 0 C3'-C2'-C1' 99.641 -2.185 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . 0.466 ' C6 ' H2'' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.554 -2.247 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.754 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.909 0 C3'-C2'-C1' 99.58 -2.229 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 120.437 0.16 . . . . 10.0 110.756 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -144.39 119.18 5.94 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.316 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -74.03 141.21 29.41 Favored 'Trans proline' 0 CA--C 1.532 0.386 0 C-N-CA 122.583 2.189 . . . . 10.0 111.77 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.64 -122.54 2.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.666 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.05 127.82 25.01 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.482 -0.389 . . . . 10.0 112.848 -179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -138.76 129.96 26.94 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.257 -0.275 . . . . 10.0 110.257 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.5 m -141.05 144.1 34.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 10.0 110.117 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -76.73 86.34 3.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.38 0.61 . . . . 10.0 110.061 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -70.2 131.57 44.43 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.258 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.505 ' C ' " H5'" ' C' ' 20' ' ' ' DA' . 4.4 ptt180 -78.45 65.47 3.77 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.822 0.82 . . . . 10.0 109.983 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.511 ' N ' " H5'" ' C' ' 20' ' ' ' DA' . 0.1 OUTLIER -169.91 95.4 0.27 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.005 -1.452 . . . . 10.0 107.695 178.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.762 ' H ' H5'' ' C' ' 20' ' ' ' DA' . 48.1 m -43.06 123.42 2.82 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.978 0.799 . . . . 10.0 112.28 -178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.1 117.19 17.55 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.416 -0.811 . . . . 10.0 111.493 -179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -135.37 176.54 8.58 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 179.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.0 t -152.36 174.53 13.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.778 -0.452 . . . . 10.0 109.778 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -44.61 82.08 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 122.588 0.355 . . . . 10.0 111.836 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -65.29 -34.97 79.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.938 0.399 . . . . 10.0 111.643 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -77.87 -34.26 51.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.84 -179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -80.2 -4.72 54.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 10.0 111.326 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.07 -65.98 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.24 -0.436 . . . . 10.0 111.378 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -82.5 -21.93 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.38 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.5 tp -66.21 -48.45 70.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.54 -0.3 . . . . 10.0 111.205 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -61.74 -30.21 70.63 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 116.543 -0.299 . . . . 10.0 110.831 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.74 -46.25 84.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.845 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -66.46 -40.75 89.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -58.89 -26.15 64.01 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.682 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -108.07 8.28 28.11 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.846 0.355 . . . . 10.0 110.841 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.6 t -103.61 -46.14 4.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.798 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -160.52 168.0 25.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.223 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -118.31 21.57 12.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.849 0.357 . . . . 10.0 111.197 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -140.1 169.1 18.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.24 -0.652 . . . . 10.0 109.24 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -133.3 177.71 7.47 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.209 0.528 . . . . 10.0 110.801 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 35.9 m -144.56 165.23 28.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.684 -0.858 . . . . 10.0 108.684 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.731 HD13 " H5'" ' B' ' 4' ' ' ' DC' . 4.0 mm? -67.33 69.27 0.09 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.59 0.556 . . . . 10.0 112.206 -178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.69 ' HB ' ' O ' ' A' ' 34' ' ' LEU . 5.4 t 158.78 -22.59 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.533 0.521 . . . . 10.0 111.154 -179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 40' ' ' ILE . 49.5 mm-40 -63.46 -48.06 79.24 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.633 0.605 . . . . 10.0 112.633 -177.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.458 HH12 " H3'" ' B' ' 4' ' ' ' DC' . 30.3 ttm105 -67.06 -40.14 87.02 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.869 0.366 . . . . 10.0 111.094 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 42' ' ' HIS . 0.0 OUTLIER -62.06 -33.69 74.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.944 -0.571 . . . . 10.0 111.115 -179.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -71.86 -27.71 63.05 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.554 -0.294 . . . . 10.0 111.174 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 36' ' ' GLU . 59.3 mt -70.03 -42.68 79.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.39 0.614 . . . . 10.0 109.885 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.71 -27.43 55.46 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.556 -0.747 . . . . 10.0 111.355 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' SER . 2.2 t60 -87.46 1.78 52.47 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.489 -0.323 . . . . 10.0 111.571 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -91.65 -25.23 19.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.714 0.293 . . . . 10.0 111.398 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.12 -160.94 1.06 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.745 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' HG2' ' H ' ' A' ' 45' ' ' LYS . 42.4 pttt -78.34 50.64 0.95 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.2 -0.455 . . . . 10.0 111.494 -179.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.93 157.44 21.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.217 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.29 145.74 36.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.629 0.252 . . . . 10.0 110.493 179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 2.4 mp0 -63.2 -41.36 99.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 10.0 110.829 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -61.25 -35.41 65.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.803 -0.635 . . . . 10.0 111.274 -179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -41.37 98.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.231 0.539 . . . . 10.0 110.815 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 t -78.27 -8.89 12.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.918 -0.583 . . . . 10.0 111.291 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 92.2 mttt -78.49 -48.49 15.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.854 0.359 . . . . 10.0 110.467 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.764 HD13 ' H72' ' C' ' 22' ' ' ' DT' . 0.6 OUTLIER -78.02 -26.93 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.062 -0.517 . . . . 10.0 112.332 -178.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.64 -46.83 70.66 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.248 0.462 . . . . 10.0 112.248 -179.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -83.28 -28.9 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.899 0.38 . . . . 10.0 111.464 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -24.11 62.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.18 -178.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.557 ' OD1' ' H8 ' ' C' ' 20' ' ' ' DA' . 1.3 m-20 -55.57 -33.68 64.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.504 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -33.62 17.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.684 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -64.38 -38.37 90.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.13 -0.486 . . . . 10.0 111.031 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.22 79.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.147 0.499 . . . . 10.0 110.534 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.73 -35.64 60.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.785 -0.643 . . . . 10.0 110.402 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -66.86 -36.23 81.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.99 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.619 ' NZ ' " H3'" ' B' ' 6' ' ' ' DA' . 0.0 OUTLIER -65.53 -22.09 66.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 10.0 110.664 -179.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 60.6 ttt180 -73.48 -24.78 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.344 0.593 . . . . 10.0 110.205 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 19.4 mt -95.17 -29.03 4.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.141 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -84.08 42.13 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.739 -179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -135.26 161.35 35.64 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.851 0.357 . . . . 10.0 111.153 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -90.55 154.45 23.35 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.713 -0.756 . . . . 10.0 111.686 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.95 -164.08 0.89 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.695 0.283 . . . . 10.0 110.725 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.75 153.42 23.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.5 m . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.284 -0.865 . . . . 10.0 111.204 179.676 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.763 ' O2 ' ' N2 ' ' C' ' 28' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 C3'-C2'-C1' 99.426 -2.339 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DG' . . . . . 0.613 ' H8 ' ' OP2' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.509 -2.28 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.553 ' C8 ' H2'' ' B' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-C1' 99.563 -2.241 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.731 " H5'" HD13 ' A' ' 34' ' ' LEU . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 O4'-C1'-C2' 103.77 -2.118 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.716 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 O4'-C1'-C2' 103.861 -2.035 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.716 ' C8 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 99.783 -2.084 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.412 H2'' ' C7 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.857 0 C3'-C2'-C1' 99.465 -2.31 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.412 ' C7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.654 -2.175 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.539 H2'' ' C8 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.577 -2.231 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.539 ' C8 ' H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 C3'-C2'-C1' 99.416 -2.346 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.579 ' H8 ' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.936 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DT' . . . . . 0.546 ' C7 ' H2'' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.56 -2.243 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.433 ' C6 ' H2'' ' B' ' 12' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.181 0 C3'-C2'-C1' 99.412 -2.349 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.536 ' H8 ' ' OP2' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.824 0 C3'-C2'-C1' 99.695 -2.147 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.68 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.952 0 O4'-C1'-C2' 103.834 -2.06 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.68 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.056 0 C3'-C2'-C1' 99.264 -2.454 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.469 H2'' ' C6 ' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.885 0 C3'-C2'-C1' 99.83 -2.05 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DC' . . . . . 0.701 H2'' ' C7 ' ' C' ' 19' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.98 0 C3'-C2'-C1' 99.422 -2.341 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DT' . . . . . 0.701 ' C7 ' H2'' ' C' ' 18' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 O4'-C1'-C2' 103.903 -1.997 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DA' . . . . . 0.762 H5'' ' H ' ' A' ' 12' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.041 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DA' . . . . . 0.723 ' C8 ' H2'' ' C' ' 20' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.046 0 C3'-C2'-C1' 99.591 -2.221 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.764 ' H72' HD13 ' A' ' 53' ' ' ILE . . . . . . . . 0 C2'--C1' 1.505 -1.137 0 C3'-C2'-C1' 99.566 -2.238 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.401 ' H73' ' C7 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.943 0 C3'-C2'-C1' 99.569 -2.236 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.039 0 C3'-C2'-C1' 99.625 -2.197 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.593 H2'' ' H71' ' C' ' 26' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.504 -1.215 0 C3'-C2'-C1' 99.428 -2.337 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.593 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.616 -2.203 . . . . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.062 0 C3'-C2'-C1' 99.667 -2.167 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DG' . . . . . 0.763 ' N2 ' ' O2 ' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 C3'-C2'-C1' 99.67 -2.164 . . . . 10.0 . . . . . . . . . . 1 1 . 1 stop_ save_