data_5lo4_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 5lo4 _Structure_validation_residue.Date_analyzed 2017-05-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.01 124.1 15.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.92 2.413 . . . . 2.21 111.853 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.524 ' O ' ' HE1' ' A' ' 27' ' ' 4PH . 47.7 Cg_exo -54.54 111.3 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.547 2.165 . . . . 1.03 111.729 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 p -90.44 117.99 29.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.639 0.257 . . . . 2.27 110.722 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.501 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.3 pttm -88.47 152.0 49.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.308 -0.405 . . . . 2.43 110.51 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.46 165.18 33.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.648 2.232 . . . . 0.87 111.599 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -87.21 158.96 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.919 0.39 . . . . 1.39 110.7 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -64.04 121.32 70.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 2.32 110.808 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.38 129.73 36.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.002 2.468 . . . . 0.69 112.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -71.51 0.95 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.827 -0.701 . . . . 0.46 111.745 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.12 -21.4 21.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 2.27 109.961 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -86.74 9.86 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 1.3 110.838 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.24 25.24 0.31 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 1.01 111.89 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -62.54 134.74 95.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.558 -0.292 . . . . 1.18 110.386 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -36.73 -52.08 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 124.285 3.323 . . . . 0.59 114.766 -172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.89 -43.7 87.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.871 0.367 . . . . 1.6 111.576 -175.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -78.78 -27.69 44.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.225 0.536 . . . . 2.4 109.997 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.31 -34.91 79.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.764 . . . . 1.09 109.901 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.25 82.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.587 -0.733 . . . . 1.07 110.408 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.41 -40.6 91.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 2.66 110.115 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.598 ' O ' HD22 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -59.73 -33.7 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.313 . . . . 0.64 111.26 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -40.4 76.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.154 0.502 . . . . 1.17 110.786 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.898 -0.592 . . . . 0.66 110.476 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD22 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -66.03 -29.63 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 1.49 111.054 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.9 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.888 0.375 . . . . 1.13 110.336 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -68.19 -40.57 82.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 2.97 110.167 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.524 ' HE1' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -33.37 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 2.4 111.086 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.45 -45.1 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.02 0.438 . . . . 3.14 110.197 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.07 -28.62 60.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.774 -0.648 . . . . 0.73 110.658 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -64.4 -39.01 93.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.528 -0.545 . . . . 1.64 109.528 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.78 70.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 1.19 111.113 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.49 -38.47 71.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.783 -0.644 . . . . 0.92 110.557 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.158 -0.474 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.056 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.86 126.49 19.8 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.904 2.403 . . . . 2.21 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -67.72 125.32 13.07 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.461 2.108 . . . . 1.03 112.5 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -77.09 125.03 28.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 2.27 111.23 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -89.85 148.24 39.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 2.43 111.103 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.514 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 77.7 Cg_endo -80.93 171.18 14.52 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.0 2.467 . . . . 0.87 112.608 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 t -121.88 147.25 46.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 1.39 110.611 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -62.53 118.17 38.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 2.32 112.088 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -67.36 127.21 16.17 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.84 2.36 . . . . 0.69 112.251 175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.4 -70.96 0.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.979 -0.629 . . . . 0.46 111.642 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -85.49 -29.93 23.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 2.27 110.211 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.424 ' C ' ' H ' ' A' ' 13' ' ' THR . 23.4 p-10 -84.22 9.91 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.647 -0.706 . . . . 1.3 110.791 178.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 26.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.899 -0.591 . . . . 1.01 112.098 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.424 ' H ' ' C ' ' A' ' 11' ' ' ASN . 18.2 p -55.55 134.23 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.501 -0.318 . . . . 1.18 110.394 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.84 -38.36 12.94 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.458 2.772 . . . . 0.59 113.616 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.059 0.457 . . . . 1.6 111.502 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -89.24 -31.68 17.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 2.4 109.853 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.15 -35.68 81.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.582 -0.736 . . . . 1.09 110.525 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.94 81.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 1.07 110.759 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.48 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 2.66 109.926 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.565 ' O ' HD22 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -62.04 -32.86 73.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.64 110.963 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.4 65.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.335 0.588 . . . . 1.17 110.194 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.14 -39.45 93.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.445 -0.798 . . . . 0.66 110.598 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -62.15 -32.93 73.6 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.304 -0.407 . . . . 1.49 111.027 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.96 94.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.977 0.418 . . . . 1.13 109.939 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -48.05 79.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.681 . . . . 2.97 109.902 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.82 -39.46 91.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.645 0.26 . . . . 2.4 111.017 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.84 -45.62 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.513 . . . . 3.14 110.803 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.13 -34.3 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.73 110.75 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.61 -40.72 96.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.391 -0.596 . . . . 1.64 109.391 177.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.71 74.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 1.19 110.906 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.93 -42.23 49.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.92 111.042 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.416 -0.356 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.27 140.98 94.73 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.799 2.333 . . . . 2.21 111.83 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 22.8 Cg_endo -66.54 128.33 18.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.353 2.035 . . . . 1.03 112.397 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -86.07 122.35 29.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.256 -0.429 . . . . 2.27 110.814 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -67.23 145.15 98.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.49 -0.323 . . . . 2.43 110.343 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.528 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 26.2 Cg_endo -64.24 156.6 58.67 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.614 2.209 . . . . 0.87 112.401 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -89.02 134.87 33.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.1 0.476 . . . . 1.39 111.312 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -66.12 123.5 85.35 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.577 -0.738 . . . . 2.32 112.157 -177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.631 ' HB3' ' ND2' ' A' ' 11' ' ' ASN . 12.6 Cg_exo -71.2 132.58 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.772 2.314 . . . . 0.69 111.762 173.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.84 -71.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.241 -0.98 . . . . 0.46 111.976 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.55 -28.48 23.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 2.27 109.814 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.631 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 2.9 p-10 -84.92 9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 1.3 110.653 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.17 0.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 1.01 111.495 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.441 ' H ' ' C ' ' A' ' 11' ' ' ASN . 23.5 p -63.65 143.34 97.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.972 -0.558 . . . . 1.18 109.81 177.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -25.73 6.05 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.041 2.494 . . . . 0.59 113.147 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -69.96 -49.49 51.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 1.6 111.311 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -89.13 -27.93 20.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.442 . . . . 2.4 110.19 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.521 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.8 tp -61.47 -32.62 72.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.697 -0.683 . . . . 1.09 110.232 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.71 96.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.723 . . . . 1.07 110.757 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 63.6 tttp -70.84 -36.13 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 2.66 110.203 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.528 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 30.7 mm-40 -61.38 -25.98 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.64 111.068 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' HB2' ' O ' ' A' ' 19' ' ' LYS . . . -71.68 -37.89 70.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.148 0.499 . . . . 1.17 110.123 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.39 -35.46 80.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.66 109.726 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -64.92 -37.91 89.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.814 -0.63 . . . . 1.49 110.974 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.24 85.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.868 0.366 . . . . 1.13 110.374 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.45 -42.14 75.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 2.97 110.212 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.65 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.528 0.204 . . . . 2.4 111.145 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.04 -47.35 65.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 3.14 110.332 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.412 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 38.6 t70 -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.73 111.355 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.35 -47.71 75.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.731 -0.47 . . . . 1.64 109.731 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.6 91.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.307 0.575 . . . . 1.19 110.32 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.242 -0.89 . . . . 0.92 110.838 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.239 -0.437 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.32 126.99 19.78 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.872 2.381 . . . . 2.21 112.191 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.429 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 37.5 Cg_endo -69.46 122.97 9.73 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.336 2.024 . . . . 1.03 112.073 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.02 129.42 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.454 -0.339 . . . . 2.27 110.974 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -70.72 133.05 86.71 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 2.43 110.974 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.522 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 48.5 Cg_endo -71.05 160.45 49.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.826 2.351 . . . . 0.87 112.605 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -101.68 143.05 32.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 1.39 111.053 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.84 119.91 52.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 2.32 111.696 -179.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.52 135.48 42.52 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.696 2.264 . . . . 0.69 111.776 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -71.41 0.96 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.46 112.025 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -87.42 -32.04 19.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.627 0.727 . . . . 2.27 109.745 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' THR . 21.8 p-10 -80.26 9.51 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.159 -0.928 . . . . 1.3 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.16 24.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 1.01 111.457 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 11' ' ' ASN . 17.1 p -66.38 141.93 97.47 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.015 -0.538 . . . . 1.18 110.122 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -38.85 -43.12 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.816 3.011 . . . . 0.59 113.996 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.89 -47.93 56.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.695 0.283 . . . . 1.6 111.63 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -74.72 -28.55 60.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 2.4 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.1 tp -68.07 -35.02 77.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.442 -0.799 . . . . 1.09 109.934 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.45 89.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 1.07 110.082 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -61.37 -35.74 78.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 2.66 109.826 175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.522 ' HE1' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 25.9 mm-40 -62.16 -33.17 74.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 0.64 110.834 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.78 -35.88 79.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 1.17 110.427 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.94 -38.31 79.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.638 -0.71 . . . . 0.66 110.054 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -59.11 -39.9 83.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.079 -0.509 . . . . 1.49 110.701 173.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.23 79.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 1.13 110.504 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.78 -38.63 83.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 2.97 110.32 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -62.4 -41.2 98.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 2.4 111.092 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.52 -40.44 89.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 3.14 111.098 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.429 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 35.0 t70 -80.47 -35.45 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.73 110.954 -177.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.34 -41.07 98.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.64 110.173 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.05 73.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.533 . . . . 1.19 111.476 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.94 -28.6 24.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.864 -0.607 . . . . 0.92 111.182 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.214 -0.448 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.04 130.78 38.04 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.806 2.337 . . . . 2.21 112.113 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.63 143.64 21.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.194 2.596 . . . . 1.03 112.611 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -93.06 116.22 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.327 . . . . 2.27 110.404 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.75 143.34 54.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.401 . . . . 2.43 110.879 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.508 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 92.4 Cg_endo -85.22 166.06 11.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.951 2.434 . . . . 0.87 113.085 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -111.38 141.87 44.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 1.39 110.567 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -60.94 119.26 43.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 2.32 111.703 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.489 ' HB3' ' ND2' ' A' ' 11' ' ' ASN . 23.8 Cg_exo -63.15 132.24 35.69 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.813 2.342 . . . . 0.69 112.293 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.29 -70.85 0.9 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.717 -0.754 . . . . 0.46 111.881 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.13 -31.61 25.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 2.27 110.701 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.489 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 3.6 p-10 -86.61 10.59 15.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 1.3 110.519 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.05 23.02 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.768 -0.651 . . . . 1.01 111.592 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.462 ' H ' ' C ' ' A' ' 11' ' ' ASN . 1.2 p -61.29 135.15 93.53 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.014 -0.539 . . . . 1.18 110.492 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -37.25 -44.14 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.442 3.428 . . . . 0.59 115.096 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.9 -45.85 73.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 1.6 111.126 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.69 -25.25 33.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 2.4 110.503 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 tp -64.25 -34.78 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 1.09 109.544 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.2 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.229 -0.896 . . . . 1.07 110.575 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.38 -34.61 78.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 2.66 109.79 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.564 ' O ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.05 -33.77 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.64 111.26 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.24 90.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 1.17 110.378 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.36 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.66 109.834 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD21 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -62.89 -37.87 88.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.646 -0.706 . . . . 1.49 111.024 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.28 84.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.475 -0.33 . . . . 1.13 110.437 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.24 -46.05 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.921 -0.581 . . . . 2.97 110.619 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.59 -27.87 69.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.819 0.342 . . . . 2.4 111.246 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -79.64 -46.99 16.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.318 -0.401 . . . . 3.14 110.451 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.48 -34.07 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.73 110.894 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -66.81 -42.15 86.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.676 -0.49 . . . . 1.64 109.676 177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.21 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 1.19 110.544 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.82 -44.36 81.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.503 -0.771 . . . . 0.92 110.862 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.343 -0.39 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.37 120.86 9.06 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.897 2.398 . . . . 2.21 112.059 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -72.57 145.07 41.32 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.244 1.963 . . . . 1.03 111.84 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.55 151.82 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.948 0.404 . . . . 2.27 111.218 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.1 pttm -97.53 142.56 24.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.107 -0.497 . . . . 2.43 110.285 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.415 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 55.3 Cg_endo -71.27 163.35 39.41 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.702 2.268 . . . . 0.87 112.233 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -88.54 153.96 20.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.858 0.361 . . . . 1.39 110.48 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 mmtm -66.0 119.98 65.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 2.32 110.769 -178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.06 129.14 32.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.326 . . . . 0.69 112.304 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.16 -71.3 0.96 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 0.46 111.99 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.66 -19.84 22.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.117 0.484 . . . . 2.27 110.211 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -90.27 9.12 29.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.597 -0.729 . . . . 1.3 110.687 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.98 24.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 1.01 112.115 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 p -58.24 135.33 84.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.365 -0.379 . . . . 1.18 110.313 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -38.61 -49.73 2.5 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 124.176 3.25 . . . . 0.59 114.887 -172.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.47 -36.81 79.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.231 0.538 . . . . 1.6 111.22 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -83.13 -28.53 29.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.698 -0.683 . . . . 2.4 109.897 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.36 -35.18 78.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.736 -0.665 . . . . 1.09 109.808 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.68 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.319 -0.855 . . . . 1.07 110.43 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -70.13 -32.44 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 2.66 110.053 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.548 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -58.96 -31.87 69.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.426 -0.352 . . . . 0.64 111.07 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.15 86.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 1.17 110.818 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.08 -32.72 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.66 110.046 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -67.85 -33.41 74.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.615 . . . . 1.49 111.154 176.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.86 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.429 . . . . 1.13 109.912 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -62.75 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.635 -0.711 . . . . 2.97 109.813 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.26 -39.04 85.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.558 0.218 . . . . 2.4 111.473 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.23 -43.24 67.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.656 0.265 . . . . 3.14 110.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.48 -31.2 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.073 0.463 . . . . 0.73 110.274 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -41.29 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 1.64 109.357 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.88 89.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 1.19 111.387 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.93 -33.66 72.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.92 110.854 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.415 -0.357 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.47 107.08 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.541 2.827 . . . . 2.21 112.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -70.74 114.25 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.81 2.34 . . . . 1.03 111.375 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 p -75.78 123.47 25.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.171 -0.468 . . . . 2.27 110.981 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -74.07 136.77 76.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.956 0.408 . . . . 2.43 110.025 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.521 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 66.1 Cg_endo -81.59 153.16 17.72 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.598 2.198 . . . . 0.87 111.797 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -108.19 146.17 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.644 0.259 . . . . 1.39 110.657 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -59.78 118.15 29.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 2.32 111.722 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.63 132.91 28.21 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.553 2.169 . . . . 0.69 111.769 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.19 -71.37 0.93 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.668 -0.777 . . . . 0.46 111.799 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -90.57 -28.0 18.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.464 0.649 . . . . 2.27 109.332 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 13' ' ' THR . 20.3 p-10 -81.27 9.48 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 1.3 110.688 178.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.79 24.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.942 -0.572 . . . . 1.01 111.624 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.416 ' H ' ' C ' ' A' ' 11' ' ' ASN . 20.6 p -64.15 132.79 95.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 1.18 110.058 177.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.75 -38.89 6.95 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.735 2.957 . . . . 0.59 113.538 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -50.17 74.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.875 -0.602 . . . . 1.6 111.594 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -90.69 -17.39 26.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.206 0.526 . . . . 2.4 110.682 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -29.4 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.509 . . . . 1.09 109.654 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.49 98.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 1.07 110.17 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.09 -39.32 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 2.66 110.1 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.521 ' HE1' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.98 -36.79 77.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.864 0.364 . . . . 0.64 110.675 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.77 87.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 1.17 110.416 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.52 -36.23 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.66 110.522 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -62.55 -42.23 99.4 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.589 -0.278 . . . . 1.49 111.078 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.58 91.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.001 0.429 . . . . 1.13 110.265 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -68.65 -41.43 79.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 2.97 110.123 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.07 -41.87 97.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.941 0.4 . . . . 2.4 110.888 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -67.25 -43.05 82.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.746 -0.661 . . . . 3.14 111.268 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.64 -33.8 58.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.343 -0.39 . . . . 0.73 111.04 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.5 -42.7 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.577 -0.527 . . . . 1.64 109.577 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.569 -0.741 . . . . 1.19 110.999 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -75.07 -26.02 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.649 -0.705 . . . . 0.92 110.95 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.402 -0.363 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.4 118.3 5.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.816 2.344 . . . . 2.21 111.808 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.517 ' HG3' ' OD2' ' A' ' 30' ' ' ASP . 22.6 Cg_exo -60.83 119.4 6.54 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.382 2.055 . . . . 1.03 111.457 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 p -95.9 143.03 27.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.026 0.441 . . . . 2.27 111.061 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -81.42 138.78 48.02 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.203 -0.453 . . . . 2.43 109.849 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.459 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 89.0 Cg_endo -77.75 153.76 29.98 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.911 1.741 . . . . 0.87 110.944 172.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -82.6 156.68 23.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.065 0.46 . . . . 1.39 110.415 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -66.06 123.34 84.86 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.65 -0.705 . . . . 2.32 110.779 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.427 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 21.9 Cg_exo -63.9 110.53 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.398 2.065 . . . . 0.69 112.451 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.27 -59.52 0.8 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.531 -1.028 . . . . 0.46 110.531 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -81.46 -44.37 17.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.213 -0.494 . . . . 2.27 110.69 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.405 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.2 p-10 -83.65 10.74 8.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 1.3 111.519 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 8' ' ' PRO . . . -70.28 7.95 0.9 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.491 0.552 . . . . 1.01 112.491 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.7 p -53.99 137.76 55.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.379 -0.373 . . . . 1.18 111.086 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.37 -42.52 7.85 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.977 3.118 . . . . 0.59 114.15 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -47.69 68.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.6 111.184 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 77.7 tttt -83.33 -15.15 51.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.173 0.511 . . . . 2.4 110.657 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.38 -35.71 79.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 1.09 109.896 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.62 82.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.633 -0.712 . . . . 1.07 110.036 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.69 -37.79 87.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.235 -0.893 . . . . 2.66 110.146 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.498 ' O ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.94 -34.37 69.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.525 -0.307 . . . . 0.64 111.413 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.83 98.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 1.17 110.871 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.02 -37.7 84.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.66 110.309 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD21 ' O ' ' A' ' 20' ' ' 4PH . 4.5 mm? -61.79 -34.89 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 1.49 110.965 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.01 97.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.757 0.313 . . . . 1.13 110.407 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -71.51 -43.61 66.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 2.97 110.484 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.404 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.76 -34.97 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.677 0.275 . . . . 2.4 111.386 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.09 -42.69 23.12 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.102 -0.239 . . . . 3.14 111.203 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.517 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 20.5 t70 -74.73 -28.73 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.758 -0.377 . . . . 0.73 110.731 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 ' O ' ' A' ' 31' ' ' LEU . 1.5 tm? -63.04 -41.41 99.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.502 -0.555 . . . . 1.64 109.502 175.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.67 72.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 1.19 111.021 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.92 110.82 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.326 -0.397 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.12 120.31 8.07 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.853 2.369 . . . . 2.21 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.52 109.12 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.213 1.942 . . . . 1.03 111.838 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -83.96 141.99 30.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.132 -0.486 . . . . 2.27 110.803 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -67.61 144.37 97.59 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 2.43 110.606 -178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.481 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 19.1 Cg_endo -63.2 160.81 32.95 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.74 2.293 . . . . 0.87 112.382 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -81.64 140.82 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.24 -0.436 . . . . 1.39 110.978 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.419 ' HD2' ' H33' ' A' ' 20' ' ' 4PH . 14.5 mmmm -69.64 120.27 76.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.793 -0.64 . . . . 2.32 111.02 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.52 133.67 53.31 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.722 2.281 . . . . 0.69 112.285 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 -71.31 0.98 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.629 -0.796 . . . . 0.46 112.074 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.72 -16.4 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.56 . . . . 2.27 110.229 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -83.03 9.32 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.686 -0.688 . . . . 1.3 110.013 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.26 24.64 0.65 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.749 . . . . 1.01 111.812 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.51 135.18 88.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.439 -0.346 . . . . 1.18 110.388 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -37.41 -44.38 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.168 3.245 . . . . 0.59 114.538 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 1.6 111.371 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.21 -27.12 42.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 2.4 110.659 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.37 -33.68 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.536 . . . . 1.09 109.785 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 1.07 110.123 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -58.2 -37.39 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 2.66 110.101 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.504 ' CZ ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.57 -32.05 68.58 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.64 111.374 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.241 -0.436 . . . . 1.17 111.059 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.4 -36.29 60.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.66 110.242 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD21 ' CZ ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.53 -35.05 76.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 1.49 111.03 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.02 90.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.307 -0.406 . . . . 1.13 110.369 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.13 -42.34 66.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 2.97 110.647 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.8 -33.41 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.599 -0.273 . . . . 2.4 111.129 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -68.18 -48.5 65.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 3.14 110.321 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.68 -35.82 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.73 110.575 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.13 -40.59 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.412 -0.588 . . . . 1.64 109.412 176.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.64 94.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 1.19 110.813 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.92 111.173 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.359 -0.382 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.1 Cg_endo -57.01 131.97 48.73 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.062 2.508 . . . . 2.21 111.958 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.0 Cg_exo -72.14 118.79 5.79 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.456 2.104 . . . . 1.03 111.785 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -71.35 119.15 15.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.728 0.299 . . . . 2.27 110.704 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -73.33 138.2 78.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.932 -0.396 . . . . 2.43 109.932 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.506 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 59.8 Cg_endo -71.89 153.73 58.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.641 2.228 . . . . 0.87 112.415 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -87.33 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 1.39 110.129 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 13.3 mmmm -56.63 139.45 75.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.721 . . . . 2.32 111.642 -174.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 3.9 Cg_exo -77.34 97.25 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.569 2.18 . . . . 0.69 112.667 176.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -70.53 0.9 Allowed Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.619 -0.992 . . . . 0.46 110.619 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -34.32 19.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.904 -0.776 . . . . 2.27 108.904 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 8.6 p-10 -73.22 10.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.736 -1.12 . . . . 1.3 111.523 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 22.46 1.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 1.01 111.754 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -64.29 135.72 96.45 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.603 -0.517 . . . . 1.18 109.603 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.52 -35.46 6.05 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.586 2.857 . . . . 0.59 114.052 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.96 -47.54 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 1.6 111.348 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.03 -23.32 38.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.369 -0.378 . . . . 2.4 110.337 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 1.09 110.056 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.23 72.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.684 -0.689 . . . . 1.07 110.346 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.69 -41.31 90.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 2.66 109.912 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.593 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.2 -37.67 72.54 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.666 0.246 . . . . 0.64 111.666 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.23 84.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 1.17 110.812 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.31 -33.56 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.66 110.334 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -63.85 -33.46 75.75 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.394 -0.367 . . . . 1.49 111.194 176.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.44 99.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.407 . . . . 1.13 110.064 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.41 -42.75 71.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.84 -0.618 . . . . 2.97 110.524 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.458 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.06 -45.07 94.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 2.4 110.898 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.92 -44.93 83.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.691 . . . . 3.14 111.16 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.94 -31.51 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.237 -0.438 . . . . 0.73 110.562 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 1.2 tm? -67.08 -43.52 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 1.64 109.869 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.17 92.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 1.19 110.845 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.65 -27.29 66.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.92 111.231 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.336 -0.393 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.6 127.23 25.31 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.676 2.251 . . . . 2.21 111.442 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -75.63 106.66 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.158 1.905 . . . . 1.03 112.165 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -92.39 141.08 28.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.905 -0.589 . . . . 2.27 110.359 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -75.9 143.98 75.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.968 -0.382 . . . . 2.43 109.968 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.474 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 51.4 Cg_endo -69.7 155.81 65.17 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.351 2.034 . . . . 0.87 111.875 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.13 143.69 50.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.029 -0.532 . . . . 1.39 110.733 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HD3' H33B ' A' ' 20' ' ' 4PH . 74.7 mmtt -69.84 120.76 79.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.63 -0.714 . . . . 2.32 110.765 -178.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.2 119.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.712 2.274 . . . . 0.69 112.472 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.2 -70.49 0.89 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.846 -0.692 . . . . 0.46 111.495 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.67 -31.76 36.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.096 0.474 . . . . 2.27 110.299 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.471 ' C ' ' H ' ' A' ' 13' ' ' THR . 23.7 p-10 -85.86 9.85 15.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 1.3 111.155 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 25.36 0.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.89 0.376 . . . . 1.01 111.764 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.471 ' H ' ' C ' ' A' ' 11' ' ' ASN . 10.2 p -59.44 138.78 89.06 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.044 -0.526 . . . . 1.18 110.38 177.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.42 -47.6 5.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.871 3.047 . . . . 0.59 114.645 -171.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.18 -39.57 82.48 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 1.6 111.329 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -81.88 -32.27 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.246 -0.433 . . . . 2.4 110.502 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 38.4 tp -62.57 -37.53 86.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.247 0.546 . . . . 1.09 109.755 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.33 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.447 -0.797 . . . . 1.07 110.59 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -66.87 -37.81 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 2.66 109.801 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.486 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 28.7 mm-40 -59.71 -35.69 75.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.64 110.719 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.72 70.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.778 -0.646 . . . . 1.17 110.846 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HA ' ' HZ3' ' A' ' 26' ' ' LYS . 4.8 t70 -69.5 -41.51 75.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.392 -0.596 . . . . 0.66 109.392 176.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.54 -36.22 73.55 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.707 -0.679 . . . . 1.49 110.795 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.05 89.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.333 . . . . 1.13 110.604 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HZ3' ' HA ' ' A' ' 23' ' ' ASP . 33.3 mtmm -64.69 -44.88 88.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 2.97 110.146 177.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -59.43 -39.83 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.599 -0.273 . . . . 2.4 111.673 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.14 -43.68 33.15 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.906 -0.318 . . . . 3.14 110.763 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.62 -32.23 72.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.579 -0.282 . . . . 0.73 110.795 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 31' ' ' LEU . 1.6 tm? -65.31 -40.71 94.14 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.606 -0.516 . . . . 1.64 109.606 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.65 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 1.19 110.681 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.2 -38.22 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.626 -0.715 . . . . 0.92 110.958 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.01 118.0 4.82 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.807 2.338 . . . . 2.21 111.765 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.88 121.84 7.67 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.294 1.996 . . . . 1.03 111.993 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 p -82.28 131.82 35.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.974 0.416 . . . . 2.27 111.253 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -75.79 133.23 73.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 2.43 110.956 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.31 162.82 37.7 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.731 2.287 . . . . 0.87 112.452 175.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -96.01 157.04 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.326 -0.397 . . . . 1.39 110.367 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HD3' ' H33' ' A' ' 20' ' ' 4PH . 49.6 mmtm -68.14 133.29 91.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 2.32 110.994 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 31.8 Cg_exo -58.21 123.08 12.82 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.887 2.392 . . . . 0.69 112.969 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.77 -71.05 0.93 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.994 -0.622 . . . . 0.46 111.776 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -91.57 -21.84 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.333 0.587 . . . . 2.27 110.003 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.434 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 21.6 p-10 -86.98 10.23 17.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.341 -0.845 . . . . 1.3 110.936 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 24.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 1.01 111.887 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 p -71.23 143.81 88.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.91 -0.404 . . . . 1.18 109.91 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.92 -40.27 5.9 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.442 2.762 . . . . 0.59 113.991 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.56 -45.33 38.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.091 0.404 . . . . 1.6 112.091 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 81.7 tttt -83.21 -21.03 33.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 2.4 110.496 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.86 -34.25 76.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.232 -0.655 . . . . 1.09 109.232 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.7 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.122 -0.945 . . . . 1.07 110.302 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.24 -38.12 89.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 2.66 109.842 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.616 ' O ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.97 -34.58 74.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.64 110.93 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.05 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 1.17 110.764 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.46 -37.39 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.878 -0.601 . . . . 0.66 110.583 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.616 HD21 ' O ' ' A' ' 20' ' ' 4PH . 3.0 mm? -62.49 -30.25 71.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 1.49 111.075 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.864 0.364 . . . . 1.13 110.596 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -76.06 -44.3 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 2.97 110.191 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -65.31 -33.98 77.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.426 -0.352 . . . . 2.4 111.124 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HB2' ' HZ1' ' A' ' 29' ' ' LYS . 3.8 ttmp? -62.95 -50.44 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 3.14 111.0 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.52 -29.24 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.73 110.168 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.59 -39.65 94.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.979 -0.555 . . . . 1.64 110.842 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.2 70.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 1.19 111.374 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.3 -21.03 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.92 110.976 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.427 -0.351 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.07 121.81 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.86 2.374 . . . . 2.21 112.158 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -70.1 118.52 5.73 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.227 1.951 . . . . 1.03 111.857 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -87.42 151.34 23.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 2.27 110.794 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HB3' ' C33' ' A' ' 27' ' ' 4PH . 19.8 ptpt -86.19 143.31 36.82 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.131 -0.486 . . . . 2.43 111.031 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.34 159.22 49.97 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.626 2.218 . . . . 0.87 112.415 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -82.25 152.74 26.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.99 -0.55 . . . . 1.39 110.154 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.35 124.87 90.93 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.546 . . . . 2.32 110.532 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.59 124.36 15.9 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.423 2.082 . . . . 0.69 112.121 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -70.61 0.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.945 -0.645 . . . . 0.46 112.034 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -96.58 -19.24 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.342 0.592 . . . . 2.27 109.775 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 13' ' ' THR . 28.8 p-10 -88.77 10.5 20.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.436 -0.802 . . . . 1.3 110.54 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.27 23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 1.01 111.654 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 11' ' ' ASN . 12.9 p -63.9 142.17 98.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.185 -0.461 . . . . 1.18 109.969 176.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -39.65 -40.13 2.19 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.802 3.001 . . . . 0.59 114.218 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.12 -52.25 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 1.6 111.356 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.487 -0.324 . . . . 2.4 110.517 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.59 -32.43 74.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.065 -0.516 . . . . 1.09 110.121 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.72 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 1.07 110.761 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -66.77 -32.6 74.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.25 0.548 . . . . 2.66 109.886 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.583 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.18 -36.85 73.67 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.477 -0.329 . . . . 0.64 111.353 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.24 77.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 1.17 111.184 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 19.4 t70 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.66 110.371 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.1 mm? -66.91 -30.58 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.378 . . . . 1.49 110.832 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.23 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 1.13 110.004 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 39.7 mtpt -70.55 -50.64 35.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.863 -0.608 . . . . 2.97 109.887 174.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.46 ' C33' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.46 -44.43 94.48 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.617 0.229 . . . . 2.4 111.617 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -63.65 -43.34 97.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.015 0.436 . . . . 3.14 110.684 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.27 -39.25 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.73 110.996 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' HD12 ' A' ' 31' ' ' LEU . 1.1 tm? -60.54 -42.48 96.61 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.771 -0.455 . . . . 1.64 109.771 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.9 73.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 1.19 111.082 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.7 -37.71 40.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.92 110.586 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -63.06 126.54 18.17 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.603 2.202 . . . . 2.21 111.616 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.515 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 41.5 Cg_endo -68.85 109.63 2.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 1.03 111.972 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -94.53 129.78 41.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.012 0.434 . . . . 2.27 111.038 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -73.62 147.66 87.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.758 -0.655 . . . . 2.43 110.103 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.485 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 46.8 Cg_endo -67.96 161.12 45.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.465 2.11 . . . . 0.87 111.898 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.26 136.15 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.14 0.495 . . . . 1.39 111.054 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -67.55 116.27 35.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.486 -0.779 . . . . 2.32 110.287 177.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.497 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 19.4 Cg_exo -66.9 116.37 4.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.534 2.156 . . . . 0.69 112.381 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.39 -70.68 0.9 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.473 -0.651 . . . . 0.46 111.473 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.78 -23.15 18.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.407 0.623 . . . . 2.27 109.936 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 24.2 p-10 -85.42 9.91 14.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 1.3 110.619 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.69 22.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 1.01 112.28 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p -58.32 139.17 84.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.405 -0.361 . . . . 1.18 110.67 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -36.46 -49.64 1.31 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 124.4 3.4 . . . . 0.59 114.794 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.87 -44.15 90.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 1.6 111.384 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -76.35 -31.91 58.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.24 -0.437 . . . . 2.4 110.332 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.02 -37.24 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.072 -0.513 . . . . 1.09 110.116 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.03 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 1.07 110.446 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -62.25 -37.2 84.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.826 -0.624 . . . . 2.66 110.096 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.545 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -58.87 -31.06 68.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.64 111.004 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 -32.27 57.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.04 -0.527 . . . . 1.17 110.652 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.66 110.709 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.9 mm? -58.5 -27.0 64.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.349 -0.387 . . . . 1.49 110.944 173.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.439 -0.346 . . . . 1.13 110.969 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -66.46 -47.86 71.76 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 2.97 109.389 176.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -62.75 -38.47 90.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.744 0.307 . . . . 2.4 111.284 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -70.01 -45.7 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.989 0.424 . . . . 3.14 110.58 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 36.0 t70 -70.23 -35.4 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.73 110.967 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.08 -41.24 97.39 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.801 -0.444 . . . . 1.64 109.801 177.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.08 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 1.19 111.073 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.19 -39.07 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.921 -0.581 . . . . 0.92 111.297 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.71 117.11 3.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.663 2.242 . . . . 2.21 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.49 99.78 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.279 1.986 . . . . 1.03 112.26 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -72.51 122.99 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 2.27 110.789 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -73.19 135.65 79.54 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 2.43 110.72 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.36 165.22 21.13 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.012 2.475 . . . . 0.87 112.49 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -92.7 155.56 17.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.291 -0.413 . . . . 1.39 110.94 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -69.99 120.78 80.06 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.672 -0.695 . . . . 2.32 110.411 177.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.49 133.81 59.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.58 2.186 . . . . 0.69 112.005 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.6 -71.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.46 111.953 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -93.6 -24.69 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 2.27 109.955 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.417 ' C ' ' H ' ' A' ' 13' ' ' THR . 26.7 p-10 -84.68 9.93 12.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.419 -0.809 . . . . 1.3 110.297 177.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 25.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.603 -0.726 . . . . 1.01 111.589 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 11' ' ' ASN . 32.9 p -60.05 144.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.195 -0.457 . . . . 1.18 110.049 178.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.9 -34.09 8.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.045 2.497 . . . . 0.59 113.077 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.32 -55.91 15.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 1.6 111.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -83.42 -25.17 31.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.343 -0.39 . . . . 2.4 110.931 -173.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.91 -36.82 85.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.195 0.522 . . . . 1.09 109.872 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.83 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.567 -0.742 . . . . 1.07 110.338 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.4 -37.59 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 2.66 110.109 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.613 ' O ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.11 -36.55 75.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.64 111.088 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.152 -0.476 . . . . 1.17 110.987 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.81 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.931 -0.577 . . . . 0.66 110.179 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.613 HD21 ' O ' ' A' ' 20' ' ' 4PH . 3.2 mm? -65.35 -31.18 72.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.121 -0.49 . . . . 1.49 111.085 176.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 -36.45 80.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.196 0.522 . . . . 1.13 110.11 175.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -71.89 -41.35 68.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.766 -0.652 . . . . 2.97 109.998 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 84.0 mm-40 -63.73 -29.76 70.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 2.4 110.84 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.95 -49.58 19.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 3.14 110.374 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.11 -36.8 85.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.73 110.315 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -62.9 -43.63 98.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 1.64 110.095 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.07 98.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 1.19 111.38 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.34 -25.64 59.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.92 110.968 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.465 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 115.05 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.251 . . . . 2.21 111.457 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.52 136.28 25.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.129 1.886 . . . . 1.03 112.156 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -94.59 128.47 41.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 2.27 110.634 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -75.05 147.2 83.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 2.43 110.539 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.548 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 94.3 Cg_endo -83.31 158.31 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.489 2.126 . . . . 0.87 111.707 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -87.35 144.32 26.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.993 0.425 . . . . 1.39 110.586 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.41 116.91 22.46 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.625 -0.716 . . . . 2.32 110.615 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.5 ' O ' ' HB1' ' A' ' 12' ' ' ALA . 17.6 Cg_exo -66.71 112.95 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.461 2.107 . . . . 0.69 111.934 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.74 -66.85 0.81 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.326 -0.71 . . . . 0.46 111.326 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.48 -35.38 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.128 0.489 . . . . 2.27 110.572 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.41 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 5.0 p-10 -85.19 10.88 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.878 -0.601 . . . . 1.3 111.085 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 8' ' ' PRO . . . -74.81 26.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.138 0.792 . . . . 1.01 113.138 -175.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -59.04 133.83 87.45 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.76 -0.2 . . . . 1.18 110.604 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -33.35 -60.84 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 125.003 3.802 . . . . 0.59 115.623 -170.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.87 -41.28 99.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.6 111.428 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -72.76 -31.31 64.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.231 0.539 . . . . 2.4 109.859 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 49.6 tp -67.37 -37.65 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.666 -0.697 . . . . 1.09 109.883 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.5 79.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 1.07 110.314 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -63.92 -35.14 79.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 2.66 110.045 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.548 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 83.6 mm-40 -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.64 110.502 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.45 76.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 1.17 110.513 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.36 -35.24 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.66 109.971 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.88 -39.48 85.42 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.414 -0.357 . . . . 1.49 110.78 173.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.05 76.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 1.13 110.734 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.28 -45.24 66.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 2.97 109.896 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.442 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.1 -41.69 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.469 -0.332 . . . . 2.4 111.161 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -69.56 -44.97 69.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 3.14 110.789 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.4 -34.65 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.009 0.433 . . . . 0.73 110.116 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 0.8 OUTLIER -67.68 -41.59 83.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.028 -0.533 . . . . 1.64 109.869 178.017 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.21 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.19 111.157 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.89 -33.05 52.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.494 . . . . 0.92 110.924 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.32 -0.4 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.43 123.37 13.64 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.716 2.277 . . . . 2.21 111.663 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.71 107.63 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.273 1.982 . . . . 1.03 111.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -82.19 135.18 35.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 2.27 110.65 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.542 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.4 pttm -82.21 151.46 66.34 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.315 -0.402 . . . . 2.43 110.092 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.429 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 65.5 Cg_endo -73.02 160.17 46.34 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.356 2.037 . . . . 0.87 111.872 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -86.68 150.87 23.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.98 0.419 . . . . 1.39 110.561 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -64.46 123.75 83.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.637 -0.71 . . . . 2.32 110.93 -177.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.97 122.61 10.94 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.52 2.147 . . . . 0.69 112.273 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -71.1 0.92 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.948 -0.644 . . . . 0.46 111.811 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.75 -31.02 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.54 0.686 . . . . 2.27 109.653 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 13' ' ' THR . 25.6 p-10 -80.57 8.81 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.164 -0.926 . . . . 1.3 111.095 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.62 23.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.334 -0.394 . . . . 1.01 111.89 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.453 ' H ' ' C ' ' A' ' 11' ' ' ASN . 20.7 p -61.12 139.83 94.29 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 1.18 109.984 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -41.23 -40.92 4.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.788 2.992 . . . . 0.59 114.252 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.71 -48.13 60.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 1.6 111.328 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -73.88 -27.56 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 2.4 109.911 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.6 -32.45 73.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 1.09 109.805 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.15 67.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 1.07 110.198 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -40.08 82.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.832 -0.622 . . . . 2.66 110.107 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.557 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -34.11 71.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.841 0.353 . . . . 0.64 111.025 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.3 77.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 1.17 110.725 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.418 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 6.7 t70 -70.29 -37.74 74.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.867 -0.606 . . . . 0.66 110.112 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -61.82 -33.49 74.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.019 -0.537 . . . . 1.49 110.951 175.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.08 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 1.13 110.258 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE2' ' HA ' ' A' ' 23' ' ' ASP . 49.7 mtmt -64.81 -42.47 94.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.009 -0.541 . . . . 2.97 110.002 176.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.542 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.69 -37.48 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.63 0.252 . . . . 2.4 111.5 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -69.04 -41.71 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.53 -0.304 . . . . 3.14 110.402 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.61 -35.17 70.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.73 110.451 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.86 -37.69 80.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 1.64 109.642 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.65 76.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 1.19 111.564 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.53 -24.91 36.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.92 110.935 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.31 -0.404 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.48 114.27 2.16 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.108 2.539 . . . . 2.21 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -68.6 129.67 19.32 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.679 2.252 . . . . 1.03 111.895 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -100.31 121.72 41.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.636 0.255 . . . . 2.27 110.59 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.628 ' HD2' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -75.31 137.36 71.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 121.137 0.494 . . . . 2.43 111.07 -178.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.525 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 83.6 Cg_endo -81.38 159.29 19.84 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.802 2.334 . . . . 0.87 112.415 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -93.12 157.08 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.882 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -67.46 121.44 78.93 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 2.32 110.532 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.75 123.75 14.49 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.402 . . . . 0.69 112.776 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -70.02 0.88 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.46 111.876 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.05 -17.72 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.066 0.46 . . . . 2.27 110.583 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.43 ' C ' ' H ' ' A' ' 13' ' ' THR . 26.6 p-10 -93.22 10.04 33.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 1.3 110.441 177.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.32 26.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 1.01 112.466 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.43 ' H ' ' C ' ' A' ' 11' ' ' ASN . 41.7 p -59.04 143.91 83.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.674 -0.491 . . . . 1.18 109.674 175.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.85 -28.47 13.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.662 2.241 . . . . 0.59 112.671 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.24 -52.39 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.6 110.943 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -79.6 -28.94 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 2.4 110.689 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.02 -38.62 91.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 1.09 110.516 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -43.01 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.641 . . . . 1.07 110.667 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.56 -31.41 72.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.592 . . . . 2.66 110.21 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.525 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -59.98 -34.36 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 0.64 110.554 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.52 63.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.953 -0.567 . . . . 1.17 110.743 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.57 -37.95 77.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.089 -0.505 . . . . 0.66 109.689 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD22 ' CZ ' ' A' ' 20' ' ' 4PH . 4.4 mm? -60.86 -34.3 74.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.49 111.005 174.574 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.07 74.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.411 . . . . 1.13 110.494 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.88 -43.9 78.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.37 0.605 . . . . 2.97 109.625 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -64.2 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.561 -0.291 . . . . 2.4 111.377 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -72.36 -45.01 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.845 0.355 . . . . 3.14 110.75 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.35 -30.23 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.73 110.703 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.4 -30.24 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 1.64 110.541 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.21 93.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.782 -0.644 . . . . 1.19 111.17 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.77 -24.57 62.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.127 0.489 . . . . 0.92 110.582 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.122 -0.49 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 120.56 8.56 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 122.811 2.341 . . . . 2.21 111.749 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.82 138.15 47.7 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.282 1.988 . . . . 1.03 111.73 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -96.87 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.788 0.327 . . . . 2.27 110.545 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -76.07 148.55 81.51 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.267 -0.424 . . . . 2.43 110.166 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.45 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 69.4 Cg_endo -73.05 158.92 48.78 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.571 2.18 . . . . 0.87 112.186 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -93.54 151.89 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.214 -0.448 . . . . 1.39 110.393 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.411 ' HD3' H33B ' A' ' 20' ' ' 4PH . 34.5 mmtp -74.63 120.47 81.66 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.595 . . . . 2.32 110.979 -176.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.84 127.22 19.02 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.484 2.123 . . . . 0.69 112.014 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 -70.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.529 -0.844 . . . . 0.46 112.282 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -94.3 -30.51 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 2.27 110.319 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.468 ' C ' ' H ' ' A' ' 13' ' ' THR . 11.1 p30 -78.16 9.6 3.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.162 -0.472 . . . . 1.3 110.652 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.23 25.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 1.01 111.779 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 11' ' ' ASN . 32.1 p -58.85 139.51 86.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 1.18 110.19 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.79 -40.32 8.0 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.561 2.84 . . . . 0.59 114.036 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.39 -34.24 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.957 0.354 . . . . 1.6 111.957 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -88.45 -31.79 18.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.927 0.394 . . . . 2.4 110.236 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.404 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.7 tp -62.64 -33.0 74.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.358 0.599 . . . . 1.09 109.861 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.81 75.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.375 -0.83 . . . . 1.07 110.566 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.88 -35.62 81.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 2.66 110.233 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.552 ' O ' HD21 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 27.9 mm-40 -59.67 -34.29 72.66 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.38 . . . . 0.64 110.975 177.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 1.17 110.819 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.86 -34.83 76.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.66 110.164 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD21 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.46 -36.27 79.95 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.49 110.634 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -36.47 83.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 1.13 110.456 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -67.55 -47.63 69.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 2.97 109.911 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -66.09 -39.28 89.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.63 0.252 . . . . 2.4 111.408 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.2 -40.91 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 3.14 110.633 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.24 -34.72 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.73 110.966 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -43.12 98.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.769 -0.456 . . . . 1.64 109.769 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.76 96.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.579 . . . . 1.19 110.869 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.78 -37.49 87.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.92 110.597 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.313 -0.403 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 1.94 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.61 122.89 12.54 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.825 2.35 . . . . 2.21 111.869 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.469 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 24.3 Cg_exo -60.2 108.88 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.686 2.258 . . . . 1.03 112.137 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -73.85 110.31 8.04 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.214 -0.448 . . . . 2.27 111.031 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -64.68 137.73 97.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.094 -0.503 . . . . 2.43 110.946 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 38.0 Cg_endo -68.11 153.57 74.56 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.473 2.115 . . . . 0.87 112.395 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -85.88 155.68 20.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 1.39 109.915 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -80.34 114.78 50.04 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 2.32 110.172 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -67.65 132.87 28.06 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.532 2.155 . . . . 0.69 111.941 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -72.0 0.96 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.354 -0.927 . . . . 0.46 112.645 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.26 -26.47 21.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 2.27 110.081 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.401 ' C ' ' H ' ' A' ' 13' ' ' THR . 25.3 p-10 -87.37 10.0 18.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.235 -0.893 . . . . 1.3 110.304 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.49 25.08 0.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 1.01 111.615 -179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.401 ' H ' ' C ' ' A' ' 11' ' ' ASN . 6.1 p -59.52 142.17 87.51 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.958 -0.564 . . . . 1.18 110.735 179.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -41.06 -39.12 3.35 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.755 2.97 . . . . 0.59 113.974 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.37 -44.02 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 1.6 111.538 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -82.92 -25.8 32.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.392 . . . . 2.4 110.116 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.7 tp -63.71 -30.82 71.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.368 0.604 . . . . 1.09 109.734 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.11 -47.98 63.72 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.397 -0.82 . . . . 1.07 110.303 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.98 -34.85 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 2.66 110.005 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' 4PH . . . . . 0.491 ' O ' HD22 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.94 -36.93 80.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.64 111.074 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.28 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.136 0.493 . . . . 1.17 110.24 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.64 -38.02 88.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.66 110.019 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -66.22 -39.47 89.6 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.215 -0.448 . . . . 1.49 110.839 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.99 79.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.967 0.413 . . . . 1.13 110.683 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -70.48 -41.5 72.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.181 -0.463 . . . . 2.97 110.349 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -59.04 -43.26 91.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.508 -0.314 . . . . 2.4 111.401 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.66 -42.66 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 3.14 110.974 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.469 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 3.9 t70 -67.59 -32.98 74.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.73 110.044 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -69.43 -39.48 77.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.951 -0.568 . . . . 1.64 109.558 178.681 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 1.19 111.164 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 -26.14 62.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.92 110.803 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.007 -0.542 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.01 124.1 15.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.92 2.413 . . . . 1.8899999999999999 111.853 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.534 ' O ' ' HE1' ' A' ' 27' ' ' 4PH . 47.7 Cg_exo -54.54 111.3 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.547 2.165 . . . . 0.93000000000000005 111.729 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 p -90.44 117.99 29.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.639 0.257 . . . . 1.71 110.722 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.3 pttm -88.47 152.0 49.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.308 -0.405 . . . . 1.8400000000000001 110.51 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.46 165.18 33.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.648 2.232 . . . . 0.70999999999999996 111.599 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -87.21 158.96 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.919 0.39 . . . . 1.0 110.7 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' H33' ' A' ' 20' ' ' 4PH . 14.6 mmmm -64.04 121.32 70.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 1.8799999999999999 110.808 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.38 129.73 36.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.002 2.468 . . . . 0.56999999999999995 112.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -71.51 0.95 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.827 -0.701 . . . . 0.35999999999999999 111.745 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.12 -21.4 21.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 2.27 109.961 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -86.74 9.86 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 0.93999999999999995 110.838 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.24 25.24 0.31 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 0.34000000000000002 111.89 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -62.54 134.74 95.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.558 -0.292 . . . . 0.56000000000000005 110.386 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -36.73 -52.08 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 124.285 3.323 . . . . 0.53000000000000003 114.766 -172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.89 -43.7 87.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.871 0.367 . . . . 1.6000000000000001 111.576 -175.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -78.78 -27.69 44.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.225 0.536 . . . . 1.8999999999999999 109.997 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.31 -34.91 79.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.764 . . . . 0.40999999999999998 109.901 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.25 82.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.587 -0.733 . . . . 0.32000000000000001 110.408 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.41 -40.6 91.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 2.1800000000000002 110.115 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.596 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -59.73 -33.7 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.313 . . . . 0.63 111.26 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -40.4 76.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.154 0.502 . . . . 0.46999999999999997 110.786 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.898 -0.592 . . . . 0.66000000000000003 110.476 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -66.03 -29.63 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 0.83999999999999997 111.054 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.9 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.888 0.375 . . . . 0.41999999999999998 110.336 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -68.19 -40.57 82.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 2.4399999999999999 110.167 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.534 ' HE1' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -33.37 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 1.8500000000000001 111.086 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.45 -45.1 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.02 0.438 . . . . 2.6200000000000001 110.197 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.07 -28.62 60.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.774 -0.648 . . . . 0.72999999999999998 110.658 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -64.4 -39.01 93.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.528 -0.545 . . . . 1.0900000000000001 109.528 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.78 70.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.58999999999999997 111.113 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.49 -38.47 71.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.783 -0.644 . . . . 0.92000000000000004 110.557 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.158 -0.474 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.056 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.86 126.49 19.8 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.904 2.403 . . . . 1.8899999999999999 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -67.72 125.32 13.07 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.461 2.108 . . . . 0.93000000000000005 112.5 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -77.09 125.03 28.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 1.71 111.23 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -89.85 148.24 39.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 1.8400000000000001 111.103 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 77.7 Cg_endo -80.93 171.18 14.52 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.0 2.467 . . . . 0.70999999999999996 112.608 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 t -121.88 147.25 46.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.611 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD3' ' H33' ' A' ' 20' ' ' 4PH . 45.2 mmtm -62.53 118.17 38.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 1.8799999999999999 112.088 -177.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.6 Cg_exo -67.36 127.21 16.17 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.84 2.36 . . . . 0.56999999999999995 112.251 175.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.4 -70.96 0.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.979 -0.629 . . . . 0.35999999999999999 111.642 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -85.49 -29.93 23.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 2.27 110.211 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -84.22 9.91 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.647 -0.706 . . . . 0.93999999999999995 110.791 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 26.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.899 -0.591 . . . . 0.34000000000000002 112.098 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.55 134.23 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.501 -0.318 . . . . 0.56000000000000005 110.394 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.84 -38.36 12.94 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.458 2.772 . . . . 0.53000000000000003 113.616 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.059 0.457 . . . . 1.6000000000000001 111.502 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -89.24 -31.68 17.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 1.8999999999999999 109.853 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.15 -35.68 81.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.582 -0.736 . . . . 0.40999999999999998 110.525 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.94 81.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.32000000000000001 110.759 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.48 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 2.1800000000000002 109.926 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.576 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -62.04 -32.86 73.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.63 110.963 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.4 65.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.335 0.588 . . . . 0.46999999999999997 110.194 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.14 -39.45 93.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.445 -0.798 . . . . 0.66000000000000003 110.598 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -62.15 -32.93 73.6 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.83999999999999997 111.027 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.96 94.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.977 0.418 . . . . 0.41999999999999998 109.939 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -48.05 79.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.681 . . . . 2.4399999999999999 109.902 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.82 -39.46 91.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.645 0.26 . . . . 1.8500000000000001 111.017 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.84 -45.62 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.513 . . . . 2.6200000000000001 110.803 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.13 -34.3 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.72999999999999998 110.75 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -64.61 -40.72 96.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.391 -0.596 . . . . 1.0900000000000001 109.391 177.103 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.71 74.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.58999999999999997 110.906 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.93 -42.23 49.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.92000000000000004 111.042 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.416 -0.356 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.27 140.98 94.73 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.799 2.333 . . . . 1.8899999999999999 111.83 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.433 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 22.8 Cg_endo -66.54 128.33 18.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.353 2.035 . . . . 0.93000000000000005 112.397 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -86.07 122.35 29.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.256 -0.429 . . . . 1.71 110.814 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -67.23 145.15 98.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.49 -0.323 . . . . 1.8400000000000001 110.343 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 26.2 Cg_endo -64.24 156.6 58.67 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.614 2.209 . . . . 0.70999999999999996 112.401 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -89.02 134.87 33.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.1 0.476 . . . . 1.0 111.312 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' H33' ' A' ' 20' ' ' 4PH . 13.5 mmmm -66.12 123.5 85.35 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.577 -0.738 . . . . 1.8799999999999999 112.157 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' HB3' ' ND2' ' A' ' 11' ' ' ASN . 12.6 Cg_exo -71.2 132.58 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.772 2.314 . . . . 0.56999999999999995 111.762 173.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.84 -71.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.241 -0.98 . . . . 0.35999999999999999 111.976 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.55 -28.48 23.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 2.27 109.814 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.642 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 2.9 p-10 -84.92 9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.93999999999999995 110.653 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.17 0.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.34000000000000002 111.495 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.5 p -63.65 143.34 97.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.972 -0.558 . . . . 0.56000000000000005 109.81 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -25.73 6.05 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.041 2.494 . . . . 0.53000000000000003 113.147 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -69.96 -49.49 51.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 1.6000000000000001 111.311 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -89.13 -27.93 20.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.442 . . . . 1.8999999999999999 110.19 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.8 tp -61.47 -32.62 72.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.697 -0.683 . . . . 0.40999999999999998 110.232 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.71 96.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.723 . . . . 0.32000000000000001 110.757 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 63.6 tttp -70.84 -36.13 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 2.1800000000000002 110.203 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.555 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 30.7 mm-40 -61.38 -25.98 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.63 111.068 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -71.68 -37.89 70.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.148 0.499 . . . . 0.46999999999999997 110.123 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.39 -35.46 80.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.66000000000000003 109.726 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -64.92 -37.91 89.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.83999999999999997 110.974 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.24 85.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.868 0.366 . . . . 0.41999999999999998 110.374 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.45 -42.14 75.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 2.4399999999999999 110.212 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -64.65 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.528 0.204 . . . . 1.8500000000000001 111.145 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.04 -47.35 65.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 2.6200000000000001 110.332 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 38.6 t70 -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.72999999999999998 111.355 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.35 -47.71 75.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.731 -0.47 . . . . 1.0900000000000001 109.731 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.6 91.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.307 0.575 . . . . 0.58999999999999997 110.32 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.242 -0.89 . . . . 0.92000000000000004 110.838 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.239 -0.437 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.32 126.99 19.78 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.872 2.381 . . . . 1.8899999999999999 112.191 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 37.5 Cg_endo -69.46 122.97 9.73 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.336 2.024 . . . . 0.93000000000000005 112.073 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.02 129.42 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.454 -0.339 . . . . 1.71 110.974 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -70.72 133.05 86.71 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 1.8400000000000001 110.974 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 48.5 Cg_endo -71.05 160.45 49.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.826 2.351 . . . . 0.70999999999999996 112.605 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -101.68 143.05 32.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.053 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HD2' H33B ' A' ' 20' ' ' 4PH . 13.6 mmmm -61.84 119.91 52.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 1.8799999999999999 111.696 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.52 135.48 42.52 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.696 2.264 . . . . 0.56999999999999995 111.776 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -71.41 0.96 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.35999999999999999 112.025 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -87.42 -32.04 19.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.627 0.727 . . . . 2.27 109.745 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 13' ' ' THR . 21.8 p-10 -80.26 9.51 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.159 -0.928 . . . . 0.93999999999999995 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.16 24.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.34000000000000002 111.457 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 11' ' ' ASN . 17.1 p -66.38 141.93 97.47 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.015 -0.538 . . . . 0.56000000000000005 110.122 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -38.85 -43.12 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.816 3.011 . . . . 0.53000000000000003 113.996 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.89 -47.93 56.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.695 0.283 . . . . 1.6000000000000001 111.63 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -74.72 -28.55 60.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 1.8999999999999999 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.1 tp -68.07 -35.02 77.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.40999999999999998 109.934 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.45 89.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.32000000000000001 110.082 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -61.37 -35.74 78.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 2.1800000000000002 109.826 175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.651 H33B ' HD2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 25.9 mm-40 -62.16 -33.17 74.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 0.63 110.834 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.78 -35.88 79.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.46999999999999997 110.427 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.94 -38.31 79.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.638 -0.71 . . . . 0.66000000000000003 110.054 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -59.11 -39.9 83.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.079 -0.509 . . . . 0.83999999999999997 110.701 173.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.23 79.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 0.41999999999999998 110.504 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.78 -38.63 83.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 2.4399999999999999 110.32 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -62.4 -41.2 98.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 1.8500000000000001 111.092 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.52 -40.44 89.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 2.6200000000000001 111.098 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 35.0 t70 -80.47 -35.45 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.72999999999999998 110.954 -177.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -62.34 -41.07 98.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0900000000000001 110.173 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.05 73.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.533 . . . . 0.58999999999999997 111.476 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.94 -28.6 24.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.864 -0.607 . . . . 0.92000000000000004 111.182 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.214 -0.448 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.04 130.78 38.04 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.806 2.337 . . . . 1.8899999999999999 112.113 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.63 143.64 21.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.194 2.596 . . . . 0.93000000000000005 112.611 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -93.06 116.22 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.327 . . . . 1.71 110.404 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.75 143.34 54.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.401 . . . . 1.8400000000000001 110.879 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 92.4 Cg_endo -85.22 166.06 11.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.951 2.434 . . . . 0.70999999999999996 113.085 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -111.38 141.87 44.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.567 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HD3' H33B ' A' ' 20' ' ' 4PH . 33.8 mmtp -60.94 119.26 43.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 1.8799999999999999 111.703 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -63.15 132.24 35.69 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.813 2.342 . . . . 0.56999999999999995 112.293 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.29 -70.85 0.9 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.717 -0.754 . . . . 0.35999999999999999 111.881 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.13 -31.61 25.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 2.27 110.701 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' C ' ' H ' ' A' ' 13' ' ' THR . 7.3 p30 -86.61 10.59 15.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.93999999999999995 110.519 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.05 23.02 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.768 -0.651 . . . . 0.34000000000000002 111.592 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 11' ' ' ASN . 1.2 p -61.29 135.15 93.53 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.014 -0.539 . . . . 0.56000000000000005 110.492 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -37.25 -44.14 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.442 3.428 . . . . 0.53000000000000003 115.096 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.9 -45.85 73.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 1.6000000000000001 111.126 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.69 -25.25 33.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 1.8999999999999999 110.503 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 tp -64.25 -34.78 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 0.40999999999999998 109.544 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.2 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.229 -0.896 . . . . 0.32000000000000001 110.575 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.38 -34.61 78.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 109.79 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.67 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.05 -33.77 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.26 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.24 90.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.46999999999999997 110.378 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.36 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.66000000000000003 109.834 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -62.89 -37.87 88.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.646 -0.706 . . . . 0.83999999999999997 111.024 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.28 84.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.475 -0.33 . . . . 0.41999999999999998 110.437 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.24 -46.05 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.921 -0.581 . . . . 2.4399999999999999 110.619 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -63.59 -27.87 69.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.819 0.342 . . . . 1.8500000000000001 111.246 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -79.64 -46.99 16.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.318 -0.401 . . . . 2.6200000000000001 110.451 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.48 -34.07 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.72999999999999998 110.894 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.4 tm? -66.81 -42.15 86.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.676 -0.49 . . . . 1.0900000000000001 109.676 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.21 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.58999999999999997 110.544 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.82 -44.36 81.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.503 -0.771 . . . . 0.92000000000000004 110.862 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.343 -0.39 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.37 120.86 9.06 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.897 2.398 . . . . 1.8899999999999999 112.059 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 44.0 Cg_endo -72.57 145.07 41.32 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.244 1.963 . . . . 0.93000000000000005 111.84 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.55 151.82 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.948 0.404 . . . . 1.71 111.218 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.1 pttm -97.53 142.56 24.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.107 -0.497 . . . . 1.8400000000000001 110.285 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 55.3 Cg_endo -71.27 163.35 39.41 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.702 2.268 . . . . 0.70999999999999996 112.233 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -88.54 153.96 20.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.858 0.361 . . . . 1.0 110.48 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.683 ' HD3' H33B ' A' ' 20' ' ' 4PH . 47.6 mmtm -66.0 119.98 65.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 1.8799999999999999 110.769 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.06 129.14 32.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.326 . . . . 0.56999999999999995 112.304 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.16 -71.3 0.96 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 0.35999999999999999 111.99 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.66 -19.84 22.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.117 0.484 . . . . 2.27 110.211 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -90.27 9.12 29.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.597 -0.729 . . . . 0.93999999999999995 110.687 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.98 24.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.34000000000000002 112.115 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 p -58.24 135.33 84.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.365 -0.379 . . . . 0.56000000000000005 110.313 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -38.61 -49.73 2.5 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 124.176 3.25 . . . . 0.53000000000000003 114.887 -172.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.47 -36.81 79.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.231 0.538 . . . . 1.6000000000000001 111.22 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -83.13 -28.53 29.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.698 -0.683 . . . . 1.8999999999999999 109.897 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.36 -35.18 78.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.736 -0.665 . . . . 0.40999999999999998 109.808 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.68 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.319 -0.855 . . . . 0.32000000000000001 110.43 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -70.13 -32.44 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 2.1800000000000002 110.053 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.683 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -58.96 -31.87 69.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.426 -0.352 . . . . 0.63 111.07 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.15 86.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.46999999999999997 110.818 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.08 -32.72 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 110.046 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -67.85 -33.41 74.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.615 . . . . 0.83999999999999997 111.154 176.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.86 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.429 . . . . 0.41999999999999998 109.912 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -62.75 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.635 -0.711 . . . . 2.4399999999999999 109.813 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.26 -39.04 85.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.558 0.218 . . . . 1.8500000000000001 111.473 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.23 -43.24 67.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.656 0.265 . . . . 2.6200000000000001 110.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.48 -31.2 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.073 0.463 . . . . 0.72999999999999998 110.274 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -41.29 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 1.0900000000000001 109.357 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.88 89.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.58999999999999997 111.387 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.93 -33.66 72.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.92000000000000004 110.854 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.415 -0.357 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.47 107.08 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.541 2.827 . . . . 1.8899999999999999 112.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -70.74 114.25 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.81 2.34 . . . . 0.93000000000000005 111.375 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 p -75.78 123.47 25.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.981 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -74.07 136.77 76.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.956 0.408 . . . . 1.8400000000000001 110.025 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 66.1 Cg_endo -81.59 153.16 17.72 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.598 2.198 . . . . 0.70999999999999996 111.797 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -108.19 146.17 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.644 0.259 . . . . 1.0 110.657 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HD3' H33B ' A' ' 20' ' ' 4PH . 73.0 mmtt -59.78 118.15 29.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 1.8799999999999999 111.722 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.63 132.91 28.21 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.553 2.169 . . . . 0.56999999999999995 111.769 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.19 -71.37 0.93 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.668 -0.777 . . . . 0.35999999999999999 111.799 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -90.57 -28.0 18.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.464 0.649 . . . . 2.27 109.332 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.27 9.48 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 0.93999999999999995 110.688 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.79 24.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.942 -0.572 . . . . 0.34000000000000002 111.624 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.6 p -64.15 132.79 95.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.56000000000000005 110.058 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.75 -38.89 6.95 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.735 2.957 . . . . 0.53000000000000003 113.538 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -50.17 74.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.875 -0.602 . . . . 1.6000000000000001 111.594 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -90.69 -17.39 26.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.206 0.526 . . . . 1.8999999999999999 110.682 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -29.4 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.509 . . . . 0.40999999999999998 109.654 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.49 98.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 0.32000000000000001 110.17 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.09 -39.32 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 2.1800000000000002 110.1 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.685 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.98 -36.79 77.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.864 0.364 . . . . 0.63 110.675 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.77 87.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.46999999999999997 110.416 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.52 -36.23 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.66000000000000003 110.522 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -62.55 -42.23 99.4 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.589 -0.278 . . . . 0.83999999999999997 111.078 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.58 91.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.001 0.429 . . . . 0.41999999999999998 110.265 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -68.65 -41.43 79.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 2.4399999999999999 110.123 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.07 -41.87 97.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.941 0.4 . . . . 1.8500000000000001 110.888 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -67.25 -43.05 82.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.746 -0.661 . . . . 2.6200000000000001 111.268 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.64 -33.8 58.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.343 -0.39 . . . . 0.72999999999999998 111.04 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.5 -42.7 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.577 -0.527 . . . . 1.0900000000000001 109.577 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.569 -0.741 . . . . 0.58999999999999997 110.999 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -75.07 -26.02 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.649 -0.705 . . . . 0.92000000000000004 110.95 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.402 -0.363 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.4 118.3 5.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.816 2.344 . . . . 1.8899999999999999 111.808 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HG3' ' OD2' ' A' ' 30' ' ' ASP . 22.6 Cg_exo -60.83 119.4 6.54 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.382 2.055 . . . . 0.93000000000000005 111.457 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 p -95.9 143.03 27.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.026 0.441 . . . . 1.71 111.061 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -81.42 138.78 48.02 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.203 -0.453 . . . . 1.8400000000000001 109.849 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 89.0 Cg_endo -77.75 153.76 29.98 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.911 1.741 . . . . 0.70999999999999996 110.944 172.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -82.6 156.68 23.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.065 0.46 . . . . 1.0 110.415 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD3' H33B ' A' ' 20' ' ' 4PH . 35.2 mmtp -66.06 123.34 84.86 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.65 -0.705 . . . . 1.8799999999999999 110.779 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 21.9 Cg_exo -63.9 110.53 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.398 2.065 . . . . 0.56999999999999995 112.451 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.27 -59.52 0.8 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.531 -1.028 . . . . 0.35999999999999999 110.531 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -81.46 -44.37 17.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.213 -0.494 . . . . 2.27 110.69 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 7.6 p30 -83.65 10.74 8.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.93999999999999995 111.519 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -70.28 7.95 0.9 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.491 0.552 . . . . 0.34000000000000002 112.491 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.7 p -53.99 137.76 55.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.379 -0.373 . . . . 0.56000000000000005 111.086 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.37 -42.52 7.85 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.977 3.118 . . . . 0.53000000000000003 114.15 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -47.69 68.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.6000000000000001 111.184 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 77.7 tttt -83.33 -15.15 51.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.173 0.511 . . . . 1.8999999999999999 110.657 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.38 -35.71 79.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.40999999999999998 109.896 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.62 82.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.633 -0.712 . . . . 0.32000000000000001 110.036 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.69 -37.79 87.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.235 -0.893 . . . . 2.1800000000000002 110.146 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.514 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.94 -34.37 69.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.525 -0.307 . . . . 0.63 111.413 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.83 98.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.46999999999999997 110.871 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.02 -37.7 84.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.66000000000000003 110.309 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.5 mm? -61.79 -34.89 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.83999999999999997 110.965 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.01 97.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.757 0.313 . . . . 0.41999999999999998 110.407 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -71.51 -43.61 66.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 2.4399999999999999 110.484 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.76 -34.97 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.677 0.275 . . . . 1.8500000000000001 111.386 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.09 -42.69 23.12 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.102 -0.239 . . . . 2.6200000000000001 111.203 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 20.5 t70 -74.73 -28.73 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.758 -0.377 . . . . 0.72999999999999998 110.731 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.5 tm? -63.04 -41.41 99.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.502 -0.555 . . . . 1.0900000000000001 109.502 175.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.67 72.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.58999999999999997 111.021 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.92000000000000004 110.82 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.326 -0.397 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.12 120.31 8.07 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.853 2.369 . . . . 1.8899999999999999 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.52 109.12 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.213 1.942 . . . . 0.93000000000000005 111.838 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -83.96 141.99 30.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.132 -0.486 . . . . 1.71 110.803 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HB3' H33B ' A' ' 27' ' ' 4PH . 22.8 pttm -67.61 144.37 97.59 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 1.8400000000000001 110.606 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 19.1 Cg_endo -63.2 160.81 32.95 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.74 2.293 . . . . 0.70999999999999996 112.382 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -81.64 140.82 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.978 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.771 ' HD2' H33B ' A' ' 20' ' ' 4PH . 14.5 mmmm -69.64 120.27 76.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.793 -0.64 . . . . 1.8799999999999999 111.02 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.52 133.67 53.31 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.722 2.281 . . . . 0.56999999999999995 112.285 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 -71.31 0.98 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.629 -0.796 . . . . 0.35999999999999999 112.074 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.72 -16.4 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.56 . . . . 2.27 110.229 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -83.03 9.32 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.686 -0.688 . . . . 0.93999999999999995 110.013 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.26 24.64 0.65 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.749 . . . . 0.34000000000000002 111.812 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.51 135.18 88.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.439 -0.346 . . . . 0.56000000000000005 110.388 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -37.41 -44.38 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.168 3.245 . . . . 0.53000000000000003 114.538 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 1.6000000000000001 111.371 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.21 -27.12 42.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 1.8999999999999999 110.659 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.37 -33.68 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.536 . . . . 0.40999999999999998 109.785 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 0.32000000000000001 110.123 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -58.2 -37.39 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 2.1800000000000002 110.101 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.771 H33B ' HD2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.57 -32.05 68.58 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.63 111.374 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.241 -0.436 . . . . 0.46999999999999997 111.059 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.4 -36.29 60.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.66000000000000003 110.242 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.53 -35.05 76.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.83999999999999997 111.03 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.02 90.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.307 -0.406 . . . . 0.41999999999999998 110.369 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.13 -42.34 66.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 2.4399999999999999 110.647 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.564 H33B ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.8 -33.41 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.599 -0.273 . . . . 1.8500000000000001 111.129 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -68.18 -48.5 65.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 2.6200000000000001 110.321 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.68 -35.82 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.72999999999999998 110.575 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.1 tm? -62.13 -40.59 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.412 -0.588 . . . . 1.0900000000000001 109.412 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.64 94.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.58999999999999997 110.813 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.92000000000000004 111.173 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.359 -0.382 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.1 Cg_endo -57.01 131.97 48.73 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.062 2.508 . . . . 1.8899999999999999 111.958 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.0 Cg_exo -72.14 118.79 5.79 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.456 2.104 . . . . 0.93000000000000005 111.785 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -71.35 119.15 15.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.728 0.299 . . . . 1.71 110.704 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -73.33 138.2 78.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.932 -0.396 . . . . 1.8400000000000001 109.932 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 59.8 Cg_endo -71.89 153.73 58.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.641 2.228 . . . . 0.70999999999999996 112.415 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -87.33 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.129 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 13.3 mmmm -56.63 139.45 75.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.721 . . . . 1.8799999999999999 111.642 -174.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 3.9 Cg_exo -77.34 97.25 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.569 2.18 . . . . 0.56999999999999995 112.667 176.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -70.53 0.9 Allowed Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.619 -0.992 . . . . 0.35999999999999999 110.619 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -34.32 19.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.904 -0.776 . . . . 2.27 108.904 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 8.6 p-10 -73.22 10.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.736 -1.12 . . . . 0.93999999999999995 111.523 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 22.46 1.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.34000000000000002 111.754 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -64.29 135.72 96.45 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.603 -0.517 . . . . 0.56000000000000005 109.603 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.52 -35.46 6.05 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.586 2.857 . . . . 0.53000000000000003 114.052 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.96 -47.54 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 1.6000000000000001 111.348 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.03 -23.32 38.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.369 -0.378 . . . . 1.8999999999999999 110.337 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.40999999999999998 110.056 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.23 72.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.684 -0.689 . . . . 0.32000000000000001 110.346 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.69 -41.31 90.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 2.1800000000000002 109.912 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.622 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.2 -37.67 72.54 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.666 0.246 . . . . 0.63 111.666 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.23 84.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.46999999999999997 110.812 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.31 -33.56 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.66000000000000003 110.334 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -63.85 -33.46 75.75 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.83999999999999997 111.194 176.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.44 99.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.407 . . . . 0.41999999999999998 110.064 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.41 -42.75 71.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.84 -0.618 . . . . 2.4399999999999999 110.524 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.06 -45.07 94.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 110.898 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.92 -44.93 83.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.691 . . . . 2.6200000000000001 111.16 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.94 -31.51 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.237 -0.438 . . . . 0.72999999999999998 110.562 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 1.2 tm? -67.08 -43.52 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 1.0900000000000001 109.869 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.17 92.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.58999999999999997 110.845 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.65 -27.29 66.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.92000000000000004 111.231 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.336 -0.393 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.6 127.23 25.31 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.676 2.251 . . . . 1.8899999999999999 111.442 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -75.63 106.66 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.158 1.905 . . . . 0.93000000000000005 112.165 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -92.39 141.08 28.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.905 -0.589 . . . . 1.71 110.359 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -75.9 143.98 75.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.968 -0.382 . . . . 1.8400000000000001 109.968 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 51.4 Cg_endo -69.7 155.81 65.17 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.351 2.034 . . . . 0.70999999999999996 111.875 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.13 143.69 50.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.84 120.76 79.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.63 -0.714 . . . . 1.8799999999999999 110.765 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.2 119.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.712 2.274 . . . . 0.56999999999999995 112.472 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.2 -70.49 0.89 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.846 -0.692 . . . . 0.35999999999999999 111.495 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.67 -31.76 36.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.096 0.474 . . . . 2.27 110.299 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' THR . 23.7 p-10 -85.86 9.85 15.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.93999999999999995 111.155 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 25.36 0.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.89 0.376 . . . . 0.34000000000000002 111.764 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 11' ' ' ASN . 10.2 p -59.44 138.78 89.06 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.044 -0.526 . . . . 0.56000000000000005 110.38 177.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.42 -47.6 5.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.871 3.047 . . . . 0.53000000000000003 114.645 -171.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.18 -39.57 82.48 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 1.6000000000000001 111.329 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -81.88 -32.27 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.246 -0.433 . . . . 1.8999999999999999 110.502 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 38.4 tp -62.57 -37.53 86.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.247 0.546 . . . . 0.40999999999999998 109.755 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.33 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.447 -0.797 . . . . 0.32000000000000001 110.59 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -66.87 -37.81 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 2.1800000000000002 109.801 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.494 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 16.1 mm100 -59.71 -35.69 75.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.63 110.719 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.72 70.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.778 -0.646 . . . . 0.46999999999999997 110.846 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.5 -41.51 75.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.392 -0.596 . . . . 0.66000000000000003 109.392 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.3 mt -58.54 -36.22 73.55 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.707 -0.679 . . . . 0.83999999999999997 110.795 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.05 89.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.41999999999999998 110.604 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -64.69 -44.88 88.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 2.4399999999999999 110.146 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -59.43 -39.83 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.599 -0.273 . . . . 1.8500000000000001 111.673 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.14 -43.68 33.15 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.906 -0.318 . . . . 2.6200000000000001 110.763 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.62 -32.23 72.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.579 -0.282 . . . . 0.72999999999999998 110.795 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm? -65.31 -40.71 94.14 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.606 -0.516 . . . . 1.0900000000000001 109.606 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.65 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 0.58999999999999997 110.681 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.2 -38.22 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.626 -0.715 . . . . 0.92000000000000004 110.958 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.01 118.0 4.82 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.807 2.338 . . . . 1.8899999999999999 111.765 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.88 121.84 7.67 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.294 1.996 . . . . 0.93000000000000005 111.993 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 p -82.28 131.82 35.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.974 0.416 . . . . 1.71 111.253 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -75.79 133.23 73.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 1.8400000000000001 110.956 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 58.3 Cg_endo -74.31 162.82 37.7 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.731 2.287 . . . . 0.70999999999999996 112.452 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -96.01 157.04 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.367 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.73 ' HD3' H33B ' A' ' 20' ' ' 4PH . 49.6 mmtm -68.14 133.29 91.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 1.8799999999999999 110.994 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 31.8 Cg_exo -58.21 123.08 12.82 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.887 2.392 . . . . 0.56999999999999995 112.969 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.77 -71.05 0.93 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.994 -0.622 . . . . 0.35999999999999999 111.776 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -91.57 -21.84 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.333 0.587 . . . . 2.27 110.003 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 21.6 p-10 -86.98 10.23 17.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.341 -0.845 . . . . 0.93999999999999995 110.936 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 24.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.34000000000000002 111.887 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 p -71.23 143.81 88.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.91 -0.404 . . . . 0.56000000000000005 109.91 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.92 -40.27 5.9 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.442 2.762 . . . . 0.53000000000000003 113.991 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.56 -45.33 38.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.091 0.404 . . . . 1.6000000000000001 112.091 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 81.7 tttt -83.21 -21.03 33.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 1.8999999999999999 110.496 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.86 -34.25 76.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.232 -0.655 . . . . 0.40999999999999998 109.232 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.7 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.122 -0.945 . . . . 0.32000000000000001 110.302 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.24 -38.12 89.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 2.1800000000000002 109.842 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.73 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.97 -34.58 74.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.63 110.93 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.05 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.46999999999999997 110.764 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.46 -37.39 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.878 -0.601 . . . . 0.66000000000000003 110.583 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.0 mm? -62.49 -30.25 71.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.83999999999999997 111.075 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.864 0.364 . . . . 0.41999999999999998 110.596 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -76.06 -44.3 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 2.4399999999999999 110.191 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -65.31 -33.98 77.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.426 -0.352 . . . . 1.8500000000000001 111.124 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -62.95 -50.44 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 2.6200000000000001 111.0 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.52 -29.24 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.72999999999999998 110.168 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.59 -39.65 94.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.979 -0.555 . . . . 1.0900000000000001 110.842 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.2 70.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.58999999999999997 111.374 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.3 -21.03 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.92000000000000004 110.976 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.427 -0.351 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.07 121.81 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.86 2.374 . . . . 1.8899999999999999 112.158 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -70.1 118.52 5.73 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.227 1.951 . . . . 0.93000000000000005 111.857 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -87.42 151.34 23.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 1.71 110.794 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HB3' H33B ' A' ' 27' ' ' 4PH . 19.8 ptpt -86.19 143.31 36.82 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.131 -0.486 . . . . 1.8400000000000001 111.031 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.34 159.22 49.97 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.626 2.218 . . . . 0.70999999999999996 112.415 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -82.25 152.74 26.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.154 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.35 124.87 90.93 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.546 . . . . 1.8799999999999999 110.532 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.59 124.36 15.9 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.423 2.082 . . . . 0.56999999999999995 112.121 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -70.61 0.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.945 -0.645 . . . . 0.35999999999999999 112.034 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -96.58 -19.24 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.342 0.592 . . . . 2.27 109.775 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 13' ' ' THR . 28.8 p-10 -88.77 10.5 20.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.436 -0.802 . . . . 0.93999999999999995 110.54 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.27 23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.34000000000000002 111.654 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' ASN . 12.9 p -63.9 142.17 98.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.185 -0.461 . . . . 0.56000000000000005 109.969 176.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -39.65 -40.13 2.19 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.802 3.001 . . . . 0.53000000000000003 114.218 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.12 -52.25 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 1.6000000000000001 111.356 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.487 -0.324 . . . . 1.8999999999999999 110.517 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.59 -32.43 74.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.065 -0.516 . . . . 0.40999999999999998 110.121 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.72 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 0.32000000000000001 110.761 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -66.77 -32.6 74.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.25 0.548 . . . . 2.1800000000000002 109.886 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.581 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.18 -36.85 73.67 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.477 -0.329 . . . . 0.63 111.353 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.24 77.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.46999999999999997 111.184 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 19.4 t70 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.66000000000000003 110.371 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.1 mm? -66.91 -30.58 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.378 . . . . 0.83999999999999997 110.832 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.23 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.41999999999999998 110.004 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 39.7 mtpt -70.55 -50.64 35.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.863 -0.608 . . . . 2.4399999999999999 109.887 174.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.677 H33B ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.46 -44.43 94.48 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.617 0.229 . . . . 1.8500000000000001 111.617 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -63.65 -43.34 97.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.015 0.436 . . . . 2.6200000000000001 110.684 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.27 -39.25 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.72999999999999998 110.996 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 1.1 tm? -60.54 -42.48 96.61 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.771 -0.455 . . . . 1.0900000000000001 109.771 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.9 73.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.58999999999999997 111.082 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.7 -37.71 40.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.92000000000000004 110.586 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -63.06 126.54 18.17 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.603 2.202 . . . . 1.8899999999999999 111.616 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 41.5 Cg_endo -68.85 109.63 2.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 0.93000000000000005 111.972 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -94.53 129.78 41.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.012 0.434 . . . . 1.71 111.038 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -73.62 147.66 87.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.758 -0.655 . . . . 1.8400000000000001 110.103 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 46.8 Cg_endo -67.96 161.12 45.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.465 2.11 . . . . 0.70999999999999996 111.898 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.26 136.15 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.14 0.495 . . . . 1.0 111.054 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' H33A ' A' ' 20' ' ' 4PH . 35.3 mmtp -67.55 116.27 35.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.486 -0.779 . . . . 1.8799999999999999 110.287 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 19.4 Cg_exo -66.9 116.37 4.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.534 2.156 . . . . 0.56999999999999995 112.381 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.39 -70.68 0.9 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.473 -0.651 . . . . 0.35999999999999999 111.473 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.78 -23.15 18.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.407 0.623 . . . . 2.27 109.936 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 24.2 p-10 -85.42 9.91 14.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 0.93999999999999995 110.619 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.69 22.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.34000000000000002 112.28 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p -58.32 139.17 84.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.405 -0.361 . . . . 0.56000000000000005 110.67 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -36.46 -49.64 1.31 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 124.4 3.4 . . . . 0.53000000000000003 114.794 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.87 -44.15 90.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 1.6000000000000001 111.384 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -76.35 -31.91 58.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.24 -0.437 . . . . 1.8999999999999999 110.332 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.02 -37.24 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.072 -0.513 . . . . 0.40999999999999998 110.116 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.03 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.32000000000000001 110.446 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -62.25 -37.2 84.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.826 -0.624 . . . . 2.1800000000000002 110.096 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -58.87 -31.06 68.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.63 111.004 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 -32.27 57.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.04 -0.527 . . . . 0.46999999999999997 110.652 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.66000000000000003 110.709 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.9 mm? -58.5 -27.0 64.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.83999999999999997 110.944 173.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.439 -0.346 . . . . 0.41999999999999998 110.969 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -66.46 -47.86 71.76 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 2.4399999999999999 109.389 176.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -62.75 -38.47 90.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.744 0.307 . . . . 1.8500000000000001 111.284 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -70.01 -45.7 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.989 0.424 . . . . 2.6200000000000001 110.58 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 36.0 t70 -70.23 -35.4 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.72999999999999998 110.967 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -64.08 -41.24 97.39 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.801 -0.444 . . . . 1.0900000000000001 109.801 177.83 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.08 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.58999999999999997 111.073 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.19 -39.07 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.921 -0.581 . . . . 0.92000000000000004 111.297 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.71 117.11 3.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.663 2.242 . . . . 1.8899999999999999 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.49 99.78 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.279 1.986 . . . . 0.93000000000000005 112.26 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -72.51 122.99 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 1.71 110.789 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -73.19 135.65 79.54 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 1.8400000000000001 110.72 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 73.8 Cg_endo -80.36 165.22 21.13 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.012 2.475 . . . . 0.70999999999999996 112.49 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -92.7 155.56 17.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.94 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.816 ' HD3' H33B ' A' ' 20' ' ' 4PH . 75.9 mmtt -69.99 120.78 80.06 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.672 -0.695 . . . . 1.8799999999999999 110.411 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.49 133.81 59.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.58 2.186 . . . . 0.56999999999999995 112.005 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.6 -71.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.35999999999999999 111.953 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -93.6 -24.69 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 2.27 109.955 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -84.68 9.93 12.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.419 -0.809 . . . . 0.93999999999999995 110.297 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 25.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.603 -0.726 . . . . 0.34000000000000002 111.589 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 p -60.05 144.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.195 -0.457 . . . . 0.56000000000000005 110.049 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.9 -34.09 8.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.045 2.497 . . . . 0.53000000000000003 113.077 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.32 -55.91 15.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 1.6000000000000001 111.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -83.42 -25.17 31.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.343 -0.39 . . . . 1.8999999999999999 110.931 -173.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.91 -36.82 85.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.195 0.522 . . . . 0.40999999999999998 109.872 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.83 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.567 -0.742 . . . . 0.32000000000000001 110.338 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.4 -37.59 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 2.1800000000000002 110.109 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.816 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.11 -36.55 75.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.63 111.088 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.152 -0.476 . . . . 0.46999999999999997 110.987 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.81 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.931 -0.577 . . . . 0.66000000000000003 110.179 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.2 mm? -65.35 -31.18 72.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.83999999999999997 111.085 176.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 -36.45 80.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.196 0.522 . . . . 0.41999999999999998 110.11 175.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -71.89 -41.35 68.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.766 -0.652 . . . . 2.4399999999999999 109.998 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 84.0 mm-40 -63.73 -29.76 70.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 1.8500000000000001 110.84 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.95 -49.58 19.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 2.6200000000000001 110.374 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.11 -36.8 85.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.72999999999999998 110.315 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.1 tm? -62.9 -43.63 98.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 1.0900000000000001 110.095 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.07 98.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.58999999999999997 111.38 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.34 -25.64 59.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.92000000000000004 110.968 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.465 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 115.05 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.251 . . . . 1.8899999999999999 111.457 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.52 136.28 25.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.129 1.886 . . . . 0.93000000000000005 112.156 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -94.59 128.47 41.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 1.71 110.634 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -75.05 147.2 83.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 1.8400000000000001 110.539 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 94.3 Cg_endo -83.31 158.31 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.489 2.126 . . . . 0.70999999999999996 111.707 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -87.35 144.32 26.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.993 0.425 . . . . 1.0 110.586 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.41 116.91 22.46 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.625 -0.716 . . . . 1.8799999999999999 110.615 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 17.6 Cg_exo -66.71 112.95 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.461 2.107 . . . . 0.56999999999999995 111.934 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.74 -66.85 0.81 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.326 -0.71 . . . . 0.35999999999999999 111.326 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.48 -35.38 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.128 0.489 . . . . 2.27 110.572 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 5.0 p-10 -85.19 10.88 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.878 -0.601 . . . . 0.93999999999999995 111.085 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -74.81 26.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.138 0.792 . . . . 0.34000000000000002 113.138 -175.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -59.04 133.83 87.45 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.76 -0.2 . . . . 0.56000000000000005 110.604 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -33.35 -60.84 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 125.003 3.802 . . . . 0.53000000000000003 115.623 -170.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.87 -41.28 99.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.6000000000000001 111.428 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -72.76 -31.31 64.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.231 0.539 . . . . 1.8999999999999999 109.859 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 49.6 tp -67.37 -37.65 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.666 -0.697 . . . . 0.40999999999999998 109.883 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.5 79.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.32000000000000001 110.314 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -63.92 -35.14 79.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 2.1800000000000002 110.045 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.57 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 83.6 mm-40 -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.63 110.502 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.45 76.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.46999999999999997 110.513 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.36 -35.24 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.66000000000000003 109.971 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.5 mt -59.88 -39.48 85.42 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.83999999999999997 110.78 173.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.05 76.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 0.41999999999999998 110.734 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.28 -45.24 66.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 2.4399999999999999 109.896 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.1 -41.69 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.469 -0.332 . . . . 1.8500000000000001 111.161 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -69.56 -44.97 69.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 2.6200000000000001 110.789 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.4 -34.65 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.009 0.433 . . . . 0.72999999999999998 110.116 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 0.8 OUTLIER -67.68 -41.59 83.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.028 -0.533 . . . . 1.0900000000000001 109.869 178.017 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.21 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 0.58999999999999997 111.157 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.89 -33.05 52.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.494 . . . . 0.92000000000000004 110.924 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.32 -0.4 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.43 123.37 13.64 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.716 2.277 . . . . 1.8899999999999999 111.663 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.71 107.63 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.273 1.982 . . . . 0.93000000000000005 111.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -82.19 135.18 35.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.71 110.65 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.4 pttm -82.21 151.46 66.34 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.315 -0.402 . . . . 1.8400000000000001 110.092 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 65.5 Cg_endo -73.02 160.17 46.34 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.356 2.037 . . . . 0.70999999999999996 111.872 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -86.68 150.87 23.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.98 0.419 . . . . 1.0 110.561 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.662 ' HD3' H33B ' A' ' 20' ' ' 4PH . 33.9 mmtp -64.46 123.75 83.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.637 -0.71 . . . . 1.8799999999999999 110.93 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.97 122.61 10.94 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.52 2.147 . . . . 0.56999999999999995 112.273 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -71.1 0.92 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.948 -0.644 . . . . 0.35999999999999999 111.811 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.75 -31.02 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.54 0.686 . . . . 2.27 109.653 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 13' ' ' THR . 25.6 p-10 -80.57 8.81 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.164 -0.926 . . . . 0.93999999999999995 111.095 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.62 23.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.334 -0.394 . . . . 0.34000000000000002 111.89 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.414 ' H ' ' C ' ' A' ' 11' ' ' ASN . 20.7 p -61.12 139.83 94.29 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.56000000000000005 109.984 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -41.23 -40.92 4.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.788 2.992 . . . . 0.53000000000000003 114.252 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.71 -48.13 60.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 1.6000000000000001 111.328 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -73.88 -27.56 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 1.8999999999999999 109.911 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.6 -32.45 73.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.40999999999999998 109.805 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.15 67.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.32000000000000001 110.198 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -40.08 82.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.832 -0.622 . . . . 2.1800000000000002 110.107 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.662 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -34.11 71.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.841 0.353 . . . . 0.63 111.025 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.3 77.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.725 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 6.7 t70 -70.29 -37.74 74.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.867 -0.606 . . . . 0.66000000000000003 110.112 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -61.82 -33.49 74.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.83999999999999997 110.951 175.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.08 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.41999999999999998 110.258 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 23' ' ' ASP . 49.7 mtmt -64.81 -42.47 94.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.009 -0.541 . . . . 2.4399999999999999 110.002 176.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -65.69 -37.48 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.63 0.252 . . . . 1.8500000000000001 111.5 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -69.04 -41.71 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.53 -0.304 . . . . 2.6200000000000001 110.402 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.61 -35.17 70.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.72999999999999998 110.451 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 0.8 OUTLIER -59.86 -37.69 80.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 1.0900000000000001 109.642 177.509 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.65 76.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 0.58999999999999997 111.564 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.53 -24.91 36.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.92000000000000004 110.935 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.31 -0.404 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . 0.584 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.48 114.27 2.16 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.108 2.539 . . . . 1.8899999999999999 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 12.1 Cg_exo -68.6 129.67 19.32 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.679 2.252 . . . . 0.93000000000000005 111.895 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -100.31 121.72 41.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.636 0.255 . . . . 1.71 110.59 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HD2' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -75.31 137.36 71.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 121.137 0.494 . . . . 1.8400000000000001 111.07 -178.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.546 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 83.6 Cg_endo -81.38 159.29 19.84 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.802 2.334 . . . . 0.70999999999999996 112.415 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -93.12 157.08 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.882 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HD3' ' H33' ' A' ' 20' ' ' 4PH . 47.9 mmtm -67.46 121.44 78.93 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 1.8799999999999999 110.532 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.75 123.75 14.49 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.402 . . . . 0.56999999999999995 112.776 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -70.02 0.88 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.35999999999999999 111.876 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.05 -17.72 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.066 0.46 . . . . 2.27 110.583 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -93.22 10.04 33.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.93999999999999995 110.441 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.32 26.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.34000000000000002 112.466 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -59.04 143.91 83.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.674 -0.491 . . . . 0.56000000000000005 109.674 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.85 -28.47 13.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.662 2.241 . . . . 0.53000000000000003 112.671 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.24 -52.39 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.6000000000000001 110.943 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -79.6 -28.94 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 1.8999999999999999 110.689 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.02 -38.62 91.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.40999999999999998 110.516 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -43.01 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.641 . . . . 0.32000000000000001 110.667 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.56 -31.41 72.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.592 . . . . 2.1800000000000002 110.21 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.57 ' H33' ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -59.98 -34.36 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 0.63 110.554 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.52 63.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.953 -0.567 . . . . 0.46999999999999997 110.743 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.57 -37.95 77.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.089 -0.505 . . . . 0.66000000000000003 109.689 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 20' ' ' 4PH . 4.4 mm? -60.86 -34.3 74.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.83999999999999997 111.005 174.574 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.07 74.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.411 . . . . 0.41999999999999998 110.494 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.88 -43.9 78.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.37 0.605 . . . . 2.4399999999999999 109.625 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -64.2 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.561 -0.291 . . . . 1.8500000000000001 111.377 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -72.36 -45.01 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.845 0.355 . . . . 2.6200000000000001 110.75 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.35 -30.23 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.72999999999999998 110.703 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.4 -30.24 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.541 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.21 93.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.782 -0.644 . . . . 0.58999999999999997 111.17 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.77 -24.57 62.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.127 0.489 . . . . 0.92000000000000004 110.582 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.122 -0.49 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 120.56 8.56 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 122.811 2.341 . . . . 1.8899999999999999 111.749 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.82 138.15 47.7 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.282 1.988 . . . . 0.93000000000000005 111.73 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -96.87 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.788 0.327 . . . . 1.71 110.545 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -76.07 148.55 81.51 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.267 -0.424 . . . . 1.8400000000000001 110.166 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.475 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 69.4 Cg_endo -73.05 158.92 48.78 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.571 2.18 . . . . 0.70999999999999996 112.186 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -93.54 151.89 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.393 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.63 120.47 81.66 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.595 . . . . 1.8799999999999999 110.979 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.84 127.22 19.02 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.484 2.123 . . . . 0.56999999999999995 112.014 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 -70.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.529 -0.844 . . . . 0.35999999999999999 112.282 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -94.3 -30.51 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 2.27 110.319 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 13' ' ' THR . 11.1 p30 -78.16 9.6 3.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.162 -0.472 . . . . 0.93999999999999995 110.652 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.23 25.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.34000000000000002 111.779 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 11' ' ' ASN . 32.1 p -58.85 139.51 86.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.56000000000000005 110.19 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.79 -40.32 8.0 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.561 2.84 . . . . 0.53000000000000003 114.036 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.39 -34.24 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.957 0.354 . . . . 1.6000000000000001 111.957 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -88.45 -31.79 18.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.927 0.394 . . . . 1.8999999999999999 110.236 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.7 tp -62.64 -33.0 74.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.358 0.599 . . . . 0.40999999999999998 109.861 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.81 75.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.375 -0.83 . . . . 0.32000000000000001 110.566 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.88 -35.62 81.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 2.1800000000000002 110.233 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.562 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 27.9 mm-40 -59.67 -34.29 72.66 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.38 . . . . 0.63 110.975 177.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 0.46999999999999997 110.819 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.86 -34.83 76.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.66000000000000003 110.164 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.46 -36.27 79.95 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.634 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -36.47 83.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.41999999999999998 110.456 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -67.55 -47.63 69.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 2.4399999999999999 109.911 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -66.09 -39.28 89.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.63 0.252 . . . . 1.8500000000000001 111.408 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.2 -40.91 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 2.6200000000000001 110.633 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.24 -34.72 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.72999999999999998 110.966 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -43.12 98.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.769 -0.456 . . . . 1.0900000000000001 109.769 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.76 96.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.579 . . . . 0.58999999999999997 110.869 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.78 -37.49 87.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.92000000000000004 110.597 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.313 -0.403 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.61 122.89 12.54 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.825 2.35 . . . . 1.8899999999999999 111.869 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 24.3 Cg_exo -60.2 108.88 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.686 2.258 . . . . 0.93000000000000005 112.137 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -73.85 110.31 8.04 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.214 -0.448 . . . . 1.71 111.031 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE2' H33B ' A' ' 27' ' ' 4PH . 18.5 ptpt -64.68 137.73 97.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.094 -0.503 . . . . 1.8400000000000001 110.946 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 38.0 Cg_endo -68.11 153.57 74.56 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.473 2.115 . . . . 0.70999999999999996 112.395 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -85.88 155.68 20.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.915 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -80.34 114.78 50.04 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 1.8799999999999999 110.172 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 14.1 Cg_exo -67.65 132.87 28.06 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.532 2.155 . . . . 0.56999999999999995 111.941 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -72.0 0.96 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.354 -0.927 . . . . 0.35999999999999999 112.645 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.26 -26.47 21.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 2.27 110.081 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -87.37 10.0 18.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.235 -0.893 . . . . 0.93999999999999995 110.304 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -79.49 25.08 0.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.34000000000000002 111.615 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 p -59.52 142.17 87.51 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.958 -0.564 . . . . 0.56000000000000005 110.735 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -41.06 -39.12 3.35 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.755 2.97 . . . . 0.53000000000000003 113.974 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.37 -44.02 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 1.6000000000000001 111.538 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -82.92 -25.8 32.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.392 . . . . 1.8999999999999999 110.116 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.7 tp -63.71 -30.82 71.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.368 0.604 . . . . 0.40999999999999998 109.734 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.11 -47.98 63.72 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.397 -0.82 . . . . 0.32000000000000001 110.303 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.98 -34.85 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 2.1800000000000002 110.005 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' 4PH . . . . . 0.51 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -60.94 -36.93 80.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.63 111.074 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.28 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 110.24 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.64 -38.02 88.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.66000000000000003 110.019 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -66.22 -39.47 89.6 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.83999999999999997 110.839 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.99 79.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.967 0.413 . . . . 0.41999999999999998 110.683 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -70.48 -41.5 72.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.181 -0.463 . . . . 2.4399999999999999 110.349 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' 4PH . . . . . 0.582 H33B ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -59.04 -43.26 91.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.508 -0.314 . . . . 1.8500000000000001 111.401 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.66 -42.66 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 2.6200000000000001 110.974 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 3.9 t70 -67.59 -32.98 74.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.72999999999999998 110.044 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -69.43 -39.48 77.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.951 -0.568 . . . . 1.0900000000000001 109.558 178.681 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.58999999999999997 111.164 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 -26.14 62.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.92000000000000004 110.803 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.007 -0.542 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.281 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -57.01 124.1 15.42 Favored 'Trans proline' 0 C--O 1.233 0.248 0 C-N-CA 122.92 2.413 . . . . 1.8899999999999999 111.853 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.534 ' O ' ' HE1' ' A' ' 27' ' ' 4PH . 47.7 Cg_exo -54.54 111.3 0.68 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.547 2.165 . . . . 0.93000000000000005 111.729 177.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 p -90.44 117.99 29.57 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.639 0.257 . . . . 1.71 110.722 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.3 pttm -88.47 152.0 49.07 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.308 -0.405 . . . . 1.8400000000000001 110.51 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.46 165.18 33.27 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.648 2.232 . . . . 0.70999999999999996 111.599 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.6 t -87.21 158.96 19.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.919 0.39 . . . . 1.0 110.7 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HD2' ' H33' ' A' ' 20' ' ' 4PH . 14.6 mmmm -64.04 121.32 70.85 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.64 -0.709 . . . . 1.8799999999999999 110.808 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.38 129.73 36.34 Favored 'Trans proline' 0 C--O 1.234 0.309 0 C-N-CA 123.002 2.468 . . . . 0.56999999999999995 112.955 179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -71.51 0.95 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.827 -0.701 . . . . 0.35999999999999999 111.745 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -91.12 -21.4 21.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.423 0.63 . . . . 2.27 109.961 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -86.74 9.86 17.6 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.392 -0.822 . . . . 0.93999999999999995 110.838 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.24 25.24 0.31 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 0.34000000000000002 111.89 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 p -62.54 134.74 95.23 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.558 -0.292 . . . . 0.56000000000000005 110.386 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -36.73 -52.08 1.28 Allowed 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 124.285 3.323 . . . . 0.53000000000000003 114.766 -172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -65.89 -43.7 87.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.871 0.367 . . . . 1.6000000000000001 111.576 -175.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -78.78 -27.69 44.56 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.225 0.536 . . . . 1.8999999999999999 109.997 -177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.31 -34.91 79.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.52 -0.764 . . . . 0.40999999999999998 109.901 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.55 -42.25 82.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.587 -0.733 . . . . 0.32000000000000001 110.408 177.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.41 -40.6 91.59 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 2.1800000000000002 110.115 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.596 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.5 mm-40 -59.73 -33.7 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.756 0.313 . . . . 0.63 111.26 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.77 -40.4 76.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.154 0.502 . . . . 0.46999999999999997 110.786 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -71.17 -32.46 68.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.898 -0.592 . . . . 0.66000000000000003 110.476 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -66.03 -29.63 70.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.449 -0.341 . . . . 0.83999999999999997 111.054 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.9 86.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.888 0.375 . . . . 0.41999999999999998 110.336 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 41.7 mmtm -68.19 -40.57 82.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.015 -0.538 . . . . 2.4399999999999999 110.167 176.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.534 ' HE1' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -64.07 -33.37 75.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 1.8500000000000001 111.086 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -65.45 -45.1 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.02 0.438 . . . . 2.6200000000000001 110.197 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.07 -28.62 60.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.774 -0.648 . . . . 0.72999999999999998 110.658 -178.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -64.4 -39.01 93.02 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.528 -0.545 . . . . 1.0900000000000001 109.528 177.358 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.84 -32.78 70.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.818 -0.628 . . . . 0.58999999999999997 111.113 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -71.49 -38.47 71.18 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.783 -0.644 . . . . 0.92000000000000004 110.557 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.158 -0.474 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.056 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -60.86 126.49 19.8 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.904 2.403 . . . . 1.8899999999999999 112.132 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -67.72 125.32 13.07 Favored 'Trans proline' 0 CA--C 1.53 0.296 0 C-N-CA 122.461 2.108 . . . . 0.93000000000000005 112.5 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 p -77.09 125.03 28.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 1.71 111.23 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -89.85 148.24 39.33 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.772 -0.649 . . . . 1.8400000000000001 111.103 -178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 77.7 Cg_endo -80.93 171.18 14.52 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 123.0 2.467 . . . . 0.70999999999999996 112.608 177.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.5 t -121.88 147.25 46.24 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.611 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.512 ' HD3' ' H33' ' A' ' 20' ' ' 4PH . 45.2 mmtm -62.53 118.17 38.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 1.8799999999999999 112.088 -177.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 17.6 Cg_exo -67.36 127.21 16.17 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.84 2.36 . . . . 0.56999999999999995 112.251 175.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.4 -70.96 0.9 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.979 -0.629 . . . . 0.35999999999999999 111.642 176.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -85.49 -29.93 23.87 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.064 0.459 . . . . 2.27 110.211 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -84.22 9.91 11.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.647 -0.706 . . . . 0.93999999999999995 110.791 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.13 26.03 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.899 -0.591 . . . . 0.34000000000000002 112.098 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.2 p -55.55 134.23 71.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.501 -0.318 . . . . 0.56000000000000005 110.394 178.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -44.84 -38.36 12.94 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 123.458 2.772 . . . . 0.53000000000000003 113.616 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -68.01 -36.32 79.78 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.059 0.457 . . . . 1.6000000000000001 111.502 -177.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -89.24 -31.68 17.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.041 -0.527 . . . . 1.8999999999999999 109.853 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.5 tp -64.15 -35.68 81.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.582 -0.736 . . . . 0.40999999999999998 110.525 -179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.36 -44.94 81.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.744 -0.662 . . . . 0.32000000000000001 110.759 178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -68.48 -32.83 73.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 2.1800000000000002 109.926 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.576 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -62.04 -32.86 73.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.592 -0.276 . . . . 0.63 110.963 177.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.4 65.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.335 0.588 . . . . 0.46999999999999997 110.194 176.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -65.14 -39.45 93.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.445 -0.798 . . . . 0.66000000000000003 110.598 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.6 mm? -62.15 -32.93 73.6 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.304 -0.407 . . . . 0.83999999999999997 111.027 175.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.65 -39.96 94.61 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.977 0.418 . . . . 0.41999999999999998 109.939 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -48.05 79.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.703 -0.681 . . . . 2.4399999999999999 109.902 176.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -61.82 -39.46 91.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.645 0.26 . . . . 1.8500000000000001 111.017 -176.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -63.84 -45.62 88.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.07 -0.513 . . . . 2.6200000000000001 110.803 178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -73.13 -34.3 66.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.913 -0.585 . . . . 0.72999999999999998 110.75 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -64.61 -40.72 96.0 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.391 -0.596 . . . . 1.0900000000000001 109.391 177.103 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.34 -32.71 74.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.897 -0.592 . . . . 0.58999999999999997 110.906 177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -75.93 -42.23 49.44 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.808 -0.633 . . . . 0.92000000000000004 111.042 178.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 116.416 -0.356 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.27 140.98 94.73 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.799 2.333 . . . . 1.8899999999999999 111.83 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.433 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 22.8 Cg_endo -66.54 128.33 18.94 Favored 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.353 2.035 . . . . 0.93000000000000005 112.397 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.6 p -86.07 122.35 29.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.256 -0.429 . . . . 1.71 110.814 179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -67.23 145.15 98.57 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.49 -0.323 . . . . 1.8400000000000001 110.343 177.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 26.2 Cg_endo -64.24 156.6 58.67 Favored 'Trans proline' 0 CA--C 1.53 0.293 0 C-N-CA 122.614 2.209 . . . . 0.70999999999999996 112.401 177.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -89.02 134.87 33.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.1 0.476 . . . . 1.0 111.312 -177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' HD2' ' H33' ' A' ' 20' ' ' 4PH . 13.5 mmmm -66.12 123.5 85.35 Favored Pre-proline 0 N--CA 1.465 0.307 0 CA-C-N 115.577 -0.738 . . . . 1.8799999999999999 112.157 -177.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.642 ' HB3' ' ND2' ' A' ' 11' ' ' ASN . 12.6 Cg_exo -71.2 132.58 21.3 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.772 2.314 . . . . 0.56999999999999995 111.762 173.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.84 -71.1 0.93 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.241 -0.98 . . . . 0.35999999999999999 111.976 177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -86.55 -28.48 23.31 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.095 0.474 . . . . 2.27 109.814 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.642 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 2.9 p-10 -84.92 9.24 14.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.792 -0.64 . . . . 0.93999999999999995 110.653 179.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.17 0.21 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.959 -0.564 . . . . 0.34000000000000002 111.495 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.5 p -63.65 143.34 97.99 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.972 -0.558 . . . . 0.56000000000000005 109.81 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -47.72 -25.73 6.05 Favored 'Trans proline' 0 CA--C 1.532 0.421 0 C-N-CA 123.041 2.494 . . . . 0.53000000000000003 113.147 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -69.96 -49.49 51.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.92 -0.582 . . . . 1.6000000000000001 111.311 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -89.13 -27.93 20.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.027 0.442 . . . . 1.8999999999999999 110.19 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 30.8 tp -61.47 -32.62 72.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.697 -0.683 . . . . 0.40999999999999998 110.232 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.71 96.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.608 -0.723 . . . . 0.32000000000000001 110.757 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 63.6 tttp -70.84 -36.13 72.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.062 -0.517 . . . . 2.1800000000000002 110.203 176.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.555 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.526 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 30.7 mm-40 -61.38 -25.98 67.53 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.847 0.356 . . . . 0.63 111.068 176.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 19' ' ' LYS . . . -71.68 -37.89 70.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.148 0.499 . . . . 0.46999999999999997 110.123 176.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -66.39 -35.46 80.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.696 -0.684 . . . . 0.66000000000000003 109.726 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -64.92 -37.91 89.21 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 115.814 -0.63 . . . . 0.83999999999999997 110.974 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.24 85.37 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.868 0.366 . . . . 0.41999999999999998 110.374 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -69.45 -42.14 75.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.919 -0.582 . . . . 2.4399999999999999 110.212 177.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.65 -33.67 76.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.528 0.204 . . . . 1.8500000000000001 111.145 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.04 -47.35 65.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.871 0.367 . . . . 2.6200000000000001 110.332 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.433 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 38.6 t70 -72.04 -30.29 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.862 -0.608 . . . . 0.72999999999999998 111.355 -176.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -65.35 -47.71 75.49 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.731 -0.47 . . . . 1.0900000000000001 109.731 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.6 91.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.307 0.575 . . . . 0.58999999999999997 110.32 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.32 -40.78 97.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.242 -0.89 . . . . 0.92000000000000004 110.838 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 CA-C-N 116.239 -0.437 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -62.32 126.99 19.78 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.872 2.381 . . . . 1.8899999999999999 112.191 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 37.5 Cg_endo -69.46 122.97 9.73 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.336 2.024 . . . . 0.93000000000000005 112.073 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.02 129.42 46.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.454 -0.339 . . . . 1.71 110.974 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -70.72 133.05 86.71 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.038 -0.528 . . . . 1.8400000000000001 110.974 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 48.5 Cg_endo -71.05 160.45 49.21 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.826 2.351 . . . . 0.70999999999999996 112.605 178.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -101.68 143.05 32.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.231 -0.44 . . . . 1.0 111.053 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.651 ' HD2' H33B ' A' ' 20' ' ' 4PH . 13.6 mmmm -61.84 119.91 52.22 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.034 -0.53 . . . . 1.8799999999999999 111.696 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.52 135.48 42.52 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.696 2.264 . . . . 0.56999999999999995 111.776 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -71.41 0.96 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.713 -0.756 . . . . 0.35999999999999999 112.025 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -87.42 -32.04 19.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.627 0.727 . . . . 2.27 109.745 178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' C ' ' H ' ' A' ' 13' ' ' THR . 21.8 p-10 -80.26 9.51 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.159 -0.928 . . . . 0.93999999999999995 110.956 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.16 24.54 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.34000000000000002 111.457 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' H ' ' C ' ' A' ' 11' ' ' ASN . 17.1 p -66.38 141.93 97.47 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 116.015 -0.538 . . . . 0.56000000000000005 110.122 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -38.85 -43.12 2.12 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.816 3.011 . . . . 0.53000000000000003 113.996 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -70.89 -47.93 56.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.695 0.283 . . . . 1.6000000000000001 111.63 -177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.9 tptt -74.72 -28.55 60.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.293 0.568 . . . . 1.8999999999999999 109.917 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 33.1 tp -68.07 -35.02 77.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.442 -0.799 . . . . 0.40999999999999998 109.934 177.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -44.45 89.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.32000000000000001 110.082 176.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -61.37 -35.74 78.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.573 -0.739 . . . . 2.1800000000000002 109.826 175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.651 H33B ' HD2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 25.9 mm-40 -62.16 -33.17 74.01 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.844 0.354 . . . . 0.63 110.834 177.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.78 -35.88 79.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.125 0.488 . . . . 0.46999999999999997 110.427 176.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -68.94 -38.31 79.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.638 -0.71 . . . . 0.66000000000000003 110.054 176.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -59.11 -39.9 83.69 Favored 'General case' 0 CA--C 1.513 -0.46 0 CA-C-N 116.079 -0.509 . . . . 0.83999999999999997 110.701 173.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.23 79.55 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.892 0.377 . . . . 0.41999999999999998 110.504 177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.78 -38.63 83.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 2.4399999999999999 110.32 177.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -62.4 -41.2 98.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.927 0.394 . . . . 1.8500000000000001 111.092 -176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -66.52 -40.44 89.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.786 -0.643 . . . . 2.6200000000000001 111.098 -178.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 35.0 t70 -80.47 -35.45 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.317 -0.401 . . . . 0.72999999999999998 110.954 -177.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.42 HD22 ' HA ' ' A' ' 31' ' ' LEU . 0.9 OUTLIER -62.34 -41.07 98.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0900000000000001 110.173 179.582 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.05 73.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.026 -0.533 . . . . 0.58999999999999997 111.476 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.94 -28.6 24.18 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.864 -0.607 . . . . 0.92000000000000004 111.182 -179.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.214 -0.448 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.162 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.04 130.78 38.04 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 122.806 2.337 . . . . 1.8899999999999999 112.113 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.63 143.64 21.5 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 123.194 2.596 . . . . 0.93000000000000005 112.611 176.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.1 p -93.06 116.22 28.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.788 0.327 . . . . 1.71 110.404 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -80.75 143.34 54.07 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-O 120.943 0.401 . . . . 1.8400000000000001 110.879 -178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 92.4 Cg_endo -85.22 166.06 11.0 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 122.951 2.434 . . . . 0.70999999999999996 113.085 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.9 t -111.38 141.87 44.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.567 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.67 ' HD3' H33B ' A' ' 20' ' ' 4PH . 33.8 mmtp -60.94 119.26 43.35 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.028 -0.533 . . . . 1.8799999999999999 111.703 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.498 ' HB3' ' ND2' ' A' ' 11' ' ' ASN . 23.8 Cg_exo -63.15 132.24 35.69 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.813 2.342 . . . . 0.56999999999999995 112.293 177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.29 -70.85 0.9 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.717 -0.754 . . . . 0.35999999999999999 111.881 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -84.13 -31.61 25.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 2.27 110.701 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.498 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 3.6 p-10 -86.61 10.59 15.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.955 0.407 . . . . 0.93999999999999995 110.519 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.05 23.02 0.14 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.768 -0.651 . . . . 0.34000000000000002 111.592 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 11' ' ' ASN . 1.2 p -61.29 135.15 93.53 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 116.014 -0.539 . . . . 0.56000000000000005 110.492 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -37.25 -44.14 1.26 Allowed 'Trans proline' 0 C--N 1.349 0.605 0 C-N-CA 124.442 3.428 . . . . 0.53000000000000003 115.096 -172.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -67.9 -45.85 73.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.782 0.325 . . . . 1.6000000000000001 111.126 -175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -82.69 -25.25 33.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.991 0.424 . . . . 1.8999999999999999 110.503 -178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 42.3 tp -64.25 -34.78 78.9 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.345 0.593 . . . . 0.40999999999999998 109.544 175.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.46 -41.2 76.55 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.229 -0.896 . . . . 0.32000000000000001 110.575 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -65.38 -34.61 78.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.198 0.523 . . . . 2.1800000000000002 109.79 175.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.67 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -59.05 -33.77 71.15 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.49 -0.323 . . . . 0.63 111.26 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.91 -44.24 90.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.078 0.466 . . . . 0.46999999999999997 110.378 177.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.36 -38.23 90.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.918 -0.583 . . . . 0.66000000000000003 109.834 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -62.89 -37.87 88.67 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.646 -0.706 . . . . 0.83999999999999997 111.024 176.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.37 -41.28 84.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.475 -0.33 . . . . 0.41999999999999998 110.437 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -68.24 -46.05 71.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.921 -0.581 . . . . 2.4399999999999999 110.619 176.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.59 -27.87 69.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.819 0.342 . . . . 1.8500000000000001 111.246 -176.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -79.64 -46.99 16.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.318 -0.401 . . . . 2.6200000000000001 110.451 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -67.48 -34.07 76.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.349 -0.387 . . . . 0.72999999999999998 110.894 -177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.4 tm? -66.81 -42.15 86.36 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.676 -0.49 . . . . 1.0900000000000001 109.676 177.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.0 -38.21 90.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.58999999999999997 110.544 177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -66.82 -44.36 81.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.503 -0.771 . . . . 0.92000000000000004 110.862 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.553 0 CA-C-N 116.343 -0.39 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.233 0.201 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.37 120.86 9.06 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.897 2.398 . . . . 1.8899999999999999 112.059 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 44.0 Cg_endo -72.57 145.07 41.32 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.244 1.963 . . . . 0.93000000000000005 111.84 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.7 p -100.55 151.82 21.13 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.948 0.404 . . . . 1.71 111.218 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.588 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.1 pttm -97.53 142.56 24.74 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-N 116.107 -0.497 . . . . 1.8400000000000001 110.285 176.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.433 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 55.3 Cg_endo -71.27 163.35 39.41 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.702 2.268 . . . . 0.70999999999999996 112.233 177.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -88.54 153.96 20.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.858 0.361 . . . . 1.0 110.48 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.683 ' HD3' H33B ' A' ' 20' ' ' 4PH . 47.6 mmtm -66.0 119.98 65.65 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.867 -0.606 . . . . 1.8799999999999999 110.769 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -57.06 129.14 32.83 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.788 2.326 . . . . 0.56999999999999995 112.304 177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.16 -71.3 0.96 Allowed Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.77 -0.729 . . . . 0.35999999999999999 111.99 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -91.66 -19.84 22.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.117 0.484 . . . . 2.27 110.211 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -90.27 9.12 29.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.597 -0.729 . . . . 0.93999999999999995 110.687 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.98 24.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.34000000000000002 112.115 -176.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.5 p -58.24 135.33 84.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.365 -0.379 . . . . 0.56000000000000005 110.313 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_exo -38.61 -49.73 2.5 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 124.176 3.25 . . . . 0.53000000000000003 114.887 -172.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -68.47 -36.81 79.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.231 0.538 . . . . 1.6000000000000001 111.22 -174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -83.13 -28.53 29.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.698 -0.683 . . . . 1.8999999999999999 109.897 -178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 40.7 tp -67.36 -35.18 78.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.736 -0.665 . . . . 0.40999999999999998 109.808 178.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.68 89.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.319 -0.855 . . . . 0.32000000000000001 110.43 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -70.13 -32.44 70.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.876 -0.602 . . . . 2.1800000000000002 110.053 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.683 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -58.96 -31.87 69.13 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.426 -0.352 . . . . 0.63 111.07 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.26 -41.15 86.03 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.064 0.459 . . . . 0.46999999999999997 110.818 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -67.08 -32.72 74.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.987 -0.551 . . . . 0.66000000000000003 110.046 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -67.85 -33.41 74.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.848 -0.615 . . . . 0.83999999999999997 111.154 176.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.86 95.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.002 0.429 . . . . 0.41999999999999998 109.912 176.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -62.75 -43.52 98.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.635 -0.711 . . . . 2.4399999999999999 109.813 175.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.588 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.26 -39.04 85.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.558 0.218 . . . . 1.8500000000000001 111.473 -175.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -71.23 -43.24 67.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.656 0.265 . . . . 2.6200000000000001 110.966 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -70.48 -31.2 68.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.073 0.463 . . . . 0.72999999999999998 110.274 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -41.29 75.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 1.0900000000000001 109.357 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.88 89.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.746 -0.661 . . . . 0.58999999999999997 111.387 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -69.93 -33.66 72.44 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.095 -0.502 . . . . 0.92000000000000004 110.854 177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.415 -0.357 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -66.47 107.08 1.15 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 123.541 2.827 . . . . 1.8899999999999999 112.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -70.74 114.25 3.8 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.81 2.34 . . . . 0.93000000000000005 111.375 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 p -75.78 123.47 25.67 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.171 -0.468 . . . . 1.71 110.981 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -74.07 136.77 76.0 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.956 0.408 . . . . 1.8400000000000001 110.025 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.54 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 66.1 Cg_endo -81.59 153.16 17.72 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 122.598 2.198 . . . . 0.70999999999999996 111.797 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -108.19 146.17 33.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.644 0.259 . . . . 1.0 110.657 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.685 ' HD3' H33B ' A' ' 20' ' ' 4PH . 73.0 mmtt -59.78 118.15 29.42 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.022 -0.535 . . . . 1.8799999999999999 111.722 -178.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -67.63 132.91 28.21 Favored 'Trans proline' 0 C--O 1.236 0.416 0 C-N-CA 122.553 2.169 . . . . 0.56999999999999995 111.769 174.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.19 -71.37 0.93 Allowed Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.668 -0.777 . . . . 0.35999999999999999 111.799 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -90.57 -28.0 18.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.464 0.649 . . . . 2.27 109.332 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -81.27 9.48 6.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.154 -0.93 . . . . 0.93999999999999995 110.688 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.79 24.95 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.942 -0.572 . . . . 0.34000000000000002 111.624 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.6 p -64.15 132.79 95.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.039 -0.528 . . . . 0.56000000000000005 110.058 177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -42.75 -38.89 6.95 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.735 2.957 . . . . 0.53000000000000003 113.538 -175.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -61.11 -50.17 74.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.875 -0.602 . . . . 1.6000000000000001 111.594 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 59.1 tttm -90.69 -17.39 26.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.206 0.526 . . . . 1.8999999999999999 110.682 -177.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 tp -67.06 -29.4 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.168 0.509 . . . . 0.40999999999999998 109.654 177.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.03 -43.49 98.55 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.412 -0.813 . . . . 0.32000000000000001 110.17 175.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -61.09 -39.32 89.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.938 -0.574 . . . . 2.1800000000000002 110.1 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.685 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -59.98 -36.79 77.91 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 120.864 0.364 . . . . 0.63 110.675 176.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.01 -40.77 87.35 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.959 -0.564 . . . . 0.46999999999999997 110.416 177.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -62.52 -36.23 81.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.902 -0.59 . . . . 0.66000000000000003 110.522 178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -62.55 -42.23 99.4 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.589 -0.278 . . . . 0.83999999999999997 111.078 174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.58 91.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.001 0.429 . . . . 0.41999999999999998 110.265 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -68.65 -41.43 79.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.915 -0.584 . . . . 2.4399999999999999 110.123 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -61.07 -41.87 97.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.941 0.4 . . . . 1.8500000000000001 110.888 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -67.25 -43.05 82.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.746 -0.661 . . . . 2.6200000000000001 111.268 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -76.64 -33.8 58.32 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.343 -0.39 . . . . 0.72999999999999998 111.04 -176.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.5 -42.7 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.577 -0.527 . . . . 1.0900000000000001 109.577 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.18 -32.4 73.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.569 -0.741 . . . . 0.58999999999999997 110.999 178.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -75.07 -26.02 59.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.649 -0.705 . . . . 0.92000000000000004 110.95 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.402 -0.363 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.479 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.173 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -58.4 118.3 5.16 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.816 2.344 . . . . 1.8899999999999999 111.808 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HG3' ' OD2' ' A' ' 30' ' ' ASP . 22.6 Cg_exo -60.83 119.4 6.54 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.382 2.055 . . . . 0.93000000000000005 111.457 177.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 p -95.9 143.03 27.45 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.026 0.441 . . . . 1.71 111.061 -177.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -81.42 138.78 48.02 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 116.203 -0.453 . . . . 1.8400000000000001 109.849 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 89.0 Cg_endo -77.75 153.76 29.98 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.911 1.741 . . . . 0.70999999999999996 110.944 172.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.9 t -82.6 156.68 23.79 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.065 0.46 . . . . 1.0 110.415 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.51 ' HD3' H33B ' A' ' 20' ' ' 4PH . 35.2 mmtp -66.06 123.34 84.86 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.65 -0.705 . . . . 1.8799999999999999 110.779 -178.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 21.9 Cg_exo -63.9 110.53 1.33 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.398 2.065 . . . . 0.56999999999999995 112.451 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.27 -59.52 0.8 Allowed Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.531 -1.028 . . . . 0.35999999999999999 110.531 170.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -81.46 -44.37 17.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.213 -0.494 . . . . 2.27 110.69 178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.419 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 4.2 p-10 -83.65 10.74 8.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.146 -0.479 . . . . 0.93999999999999995 111.519 -176.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -70.28 7.95 0.9 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 112.491 0.552 . . . . 0.34000000000000002 112.491 -178.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.7 p -53.99 137.76 55.89 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.379 -0.373 . . . . 0.56000000000000005 111.086 177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -42.37 -42.52 7.85 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.977 3.118 . . . . 0.53000000000000003 114.15 -175.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -67.77 -47.69 68.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.933 0.397 . . . . 1.6000000000000001 111.184 -177.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 77.7 tttt -83.33 -15.15 51.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.173 0.511 . . . . 1.8999999999999999 110.657 -175.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 43.0 tp -67.38 -35.71 79.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.847 -0.615 . . . . 0.40999999999999998 109.896 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -38.62 82.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.633 -0.712 . . . . 0.32000000000000001 110.036 176.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.69 -37.79 87.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.235 -0.893 . . . . 2.1800000000000002 110.146 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.514 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -57.94 -34.37 69.82 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.525 -0.307 . . . . 0.63 111.413 179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.83 98.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.46999999999999997 110.871 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -67.02 -37.7 84.62 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.054 -0.521 . . . . 0.66000000000000003 110.309 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.514 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.5 mm? -61.79 -34.89 76.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.83999999999999997 110.965 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.95 -42.01 97.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.757 0.313 . . . . 0.41999999999999998 110.407 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -71.51 -43.61 66.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 2.4399999999999999 110.484 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.416 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -61.76 -34.97 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.677 0.275 . . . . 1.8500000000000001 111.386 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -80.09 -42.69 23.12 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 121.102 -0.239 . . . . 2.6200000000000001 111.203 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.53 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 20.5 t70 -74.73 -28.73 60.9 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.758 -0.377 . . . . 0.72999999999999998 110.731 -177.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.432 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.5 tm? -63.04 -41.41 99.5 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.502 -0.555 . . . . 1.0900000000000001 109.502 175.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.18 -32.67 72.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.768 -0.651 . . . . 0.58999999999999997 111.021 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -74.92 -28.01 60.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.726 -0.67 . . . . 0.92000000000000004 110.82 178.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.326 -0.397 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -56.12 120.31 8.07 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 122.853 2.369 . . . . 1.8899999999999999 111.782 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -71.52 109.12 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.213 1.942 . . . . 0.93000000000000005 111.838 -179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.6 p -83.96 141.99 30.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.132 -0.486 . . . . 1.71 110.803 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.564 ' HB3' H33B ' A' ' 27' ' ' 4PH . 22.8 pttm -67.61 144.37 97.59 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 116.025 -0.534 . . . . 1.8400000000000001 110.606 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 19.1 Cg_endo -63.2 160.81 32.95 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.74 2.293 . . . . 0.70999999999999996 112.382 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -81.64 140.82 34.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.978 -177.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.771 ' HD2' H33B ' A' ' 20' ' ' 4PH . 14.5 mmmm -69.64 120.27 76.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.793 -0.64 . . . . 1.8799999999999999 111.02 -178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.52 133.67 53.31 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.722 2.281 . . . . 0.56999999999999995 112.285 177.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.62 -71.31 0.98 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.629 -0.796 . . . . 0.35999999999999999 112.074 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -100.72 -16.4 17.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.275 0.56 . . . . 2.27 110.229 177.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -83.03 9.32 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.686 -0.688 . . . . 0.93999999999999995 110.013 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.26 24.64 0.65 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.551 -0.749 . . . . 0.34000000000000002 111.812 -178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -59.51 135.18 88.97 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.439 -0.346 . . . . 0.56000000000000005 110.388 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -37.41 -44.38 1.41 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 124.168 3.245 . . . . 0.53000000000000003 114.538 -174.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -66.26 -47.39 73.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.873 0.368 . . . . 1.6000000000000001 111.371 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.21 -27.12 42.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.034 0.445 . . . . 1.8999999999999999 110.659 -177.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.5 tp -65.37 -33.68 76.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.022 -0.536 . . . . 0.40999999999999998 109.785 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.61 75.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 0.32000000000000001 110.123 175.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -58.2 -37.39 74.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.591 -0.731 . . . . 2.1800000000000002 110.101 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.771 H33B ' HD2' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -58.57 -32.05 68.58 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.63 111.374 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.68 -35.19 79.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.241 -0.436 . . . . 0.46999999999999997 111.059 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -75.4 -36.29 60.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.66000000000000003 110.242 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD21 ' CZ ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.53 -35.05 76.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.83999999999999997 111.03 177.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.02 90.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.307 -0.406 . . . . 0.41999999999999998 110.369 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.13 -42.34 66.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.876 -0.602 . . . . 2.4399999999999999 110.647 178.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.564 H33B ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.8 -33.41 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.599 -0.273 . . . . 1.8500000000000001 111.129 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -68.18 -48.5 65.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.993 0.425 . . . . 2.6200000000000001 110.321 178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -69.68 -35.82 75.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.041 -0.527 . . . . 0.72999999999999998 110.575 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.1 tm? -62.13 -40.59 96.43 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.412 -0.588 . . . . 1.0900000000000001 109.412 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.09 -40.64 94.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.799 -0.637 . . . . 0.58999999999999997 110.813 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -72.38 -40.82 66.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.045 -0.525 . . . . 0.92000000000000004 111.173 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.359 -0.382 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.2 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 12.1 Cg_endo -57.01 131.97 48.73 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.062 2.508 . . . . 1.8899999999999999 111.958 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 1' ' ' PRO . 3.0 Cg_exo -72.14 118.79 5.79 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.456 2.104 . . . . 0.93000000000000005 111.785 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.5 p -71.35 119.15 15.08 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.728 0.299 . . . . 1.71 110.704 178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -73.33 138.2 78.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.932 -0.396 . . . . 1.8400000000000001 109.932 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.529 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 59.8 Cg_endo -71.89 153.73 58.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.641 2.228 . . . . 0.70999999999999996 112.415 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.4 t -87.33 137.28 32.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.129 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 13.3 mmmm -56.63 139.45 75.93 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.615 -0.721 . . . . 1.8799999999999999 111.642 -174.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.491 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 3.9 Cg_exo -77.34 97.25 1.13 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.569 2.18 . . . . 0.56999999999999995 112.667 176.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -70.53 0.9 Allowed Glycine 0 N--CA 1.449 -0.473 0 N-CA-C 110.619 -0.992 . . . . 0.35999999999999999 110.619 172.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -87.15 -34.32 19.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.904 -0.776 . . . . 2.27 108.904 171.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 8.6 p-10 -73.22 10.3 1.01 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.736 -1.12 . . . . 0.93999999999999995 111.523 177.343 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -84.97 22.46 1.39 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.298 -0.41 . . . . 0.34000000000000002 111.754 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -64.29 135.72 96.45 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 109.603 -0.517 . . . . 0.56000000000000005 109.603 176.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -43.52 -35.46 6.05 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.586 2.857 . . . . 0.53000000000000003 114.052 -175.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -73.96 -47.54 36.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.973 0.416 . . . . 1.6000000000000001 111.348 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -81.03 -23.32 38.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.369 -0.378 . . . . 1.8999999999999999 110.337 -176.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.99 -35.54 81.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.091 -0.504 . . . . 0.40999999999999998 110.056 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.56 -41.23 72.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.684 -0.689 . . . . 0.32000000000000001 110.346 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -59.69 -41.31 90.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.755 -0.657 . . . . 2.1800000000000002 109.912 174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.622 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -57.2 -37.67 72.54 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 111.666 0.246 . . . . 0.63 111.666 179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.22 -38.23 84.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.46999999999999997 110.812 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -71.31 -33.56 69.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.868 -0.605 . . . . 0.66000000000000003 110.334 178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.4 mm? -63.85 -33.46 75.75 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 116.394 -0.367 . . . . 0.83999999999999997 111.194 176.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.38 -42.44 99.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.956 0.407 . . . . 0.41999999999999998 110.064 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -70.41 -42.75 71.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.84 -0.618 . . . . 2.4399999999999999 110.524 178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.47 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -60.06 -45.07 94.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.879 0.371 . . . . 1.8500000000000001 110.898 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -65.92 -44.93 83.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.681 -0.691 . . . . 2.6200000000000001 111.16 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -72.94 -31.51 64.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.237 -0.438 . . . . 0.72999999999999998 110.562 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 1.2 tm? -67.08 -43.52 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 1.0900000000000001 109.869 177.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.33 -45.17 92.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.927 -0.579 . . . . 0.58999999999999997 110.845 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -67.65 -27.29 66.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 0.92000000000000004 111.231 179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.336 -0.393 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.6 127.23 25.31 Favored 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.676 2.251 . . . . 1.8899999999999999 111.442 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -75.63 106.66 2.31 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.158 1.905 . . . . 0.93000000000000005 112.165 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.2 p -92.39 141.08 28.93 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.905 -0.589 . . . . 1.71 110.359 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -75.9 143.98 75.37 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.968 -0.382 . . . . 1.8400000000000001 109.968 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.494 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 51.4 Cg_endo -69.7 155.81 65.17 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.351 2.034 . . . . 0.70999999999999996 111.875 177.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.13 143.69 50.51 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.733 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -69.84 120.76 79.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.63 -0.714 . . . . 1.8799999999999999 110.765 -178.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.2 119.76 6.85 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.712 2.274 . . . . 0.56999999999999995 112.472 177.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.2 -70.49 0.89 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.846 -0.692 . . . . 0.35999999999999999 111.495 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -80.67 -31.76 36.25 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.096 0.474 . . . . 2.27 110.299 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.437 ' C ' ' H ' ' A' ' 13' ' ' THR . 23.7 p-10 -85.86 9.85 15.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.938 -0.574 . . . . 0.93999999999999995 111.155 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.34 25.36 0.1 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.89 0.376 . . . . 0.34000000000000002 111.764 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.437 ' H ' ' C ' ' A' ' 11' ' ' ASN . 10.2 p -59.44 138.78 89.06 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.044 -0.526 . . . . 0.56000000000000005 110.38 177.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.42 -47.6 5.61 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 123.871 3.047 . . . . 0.53000000000000003 114.645 -171.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.18 -39.57 82.48 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.841 0.353 . . . . 1.6000000000000001 111.329 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -81.88 -32.27 31.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.246 -0.433 . . . . 1.8999999999999999 110.502 -178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 38.4 tp -62.57 -37.53 86.54 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.247 0.546 . . . . 0.40999999999999998 109.755 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.33 81.66 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.447 -0.797 . . . . 0.32000000000000001 110.59 176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -66.87 -37.81 85.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.644 -0.707 . . . . 2.1800000000000002 109.801 176.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.494 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 28.7 mm-40 -59.71 -35.69 75.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.63 110.719 176.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -32.72 70.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.778 -0.646 . . . . 0.46999999999999997 110.846 177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.5 -41.51 75.97 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.392 -0.596 . . . . 0.66000000000000003 109.392 176.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.3 mt -58.54 -36.22 73.55 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 115.707 -0.679 . . . . 0.83999999999999997 110.795 173.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.05 89.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.41999999999999998 110.604 177.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.3 mtmm -64.69 -44.88 88.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 2.4399999999999999 110.146 177.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -59.43 -39.83 84.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.599 -0.273 . . . . 1.8500000000000001 111.673 -178.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.2 tptm -77.14 -43.68 33.15 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.906 -0.318 . . . . 2.6200000000000001 110.763 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.62 -32.23 72.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.579 -0.282 . . . . 0.72999999999999998 110.795 -177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.6 tm? -65.31 -40.71 94.14 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.606 -0.516 . . . . 1.0900000000000001 109.606 176.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.65 84.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.816 -0.629 . . . . 0.58999999999999997 110.681 177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.2 -38.22 90.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.626 -0.715 . . . . 0.92000000000000004 110.958 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.166 -0.47 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -61.01 118.0 4.82 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.807 2.338 . . . . 1.8899999999999999 111.765 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -72.88 121.84 7.67 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.294 1.996 . . . . 0.93000000000000005 111.993 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.3 p -82.28 131.82 35.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.974 0.416 . . . . 1.71 111.253 -177.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -75.79 133.23 73.42 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.001 -0.545 . . . . 1.8400000000000001 110.956 -178.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.402 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 58.3 Cg_endo -74.31 162.82 37.7 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.731 2.287 . . . . 0.70999999999999996 112.452 175.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -96.01 157.04 16.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.367 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.73 ' HD3' H33B ' A' ' 20' ' ' 4PH . 49.6 mmtm -68.14 133.29 91.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 1.8799999999999999 110.994 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 31.8 Cg_exo -58.21 123.08 12.82 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.887 2.392 . . . . 0.56999999999999995 112.969 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.77 -71.05 0.93 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.994 -0.622 . . . . 0.35999999999999999 111.776 176.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -91.57 -21.84 20.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.333 0.587 . . . . 2.27 110.003 178.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' HB2' ' HD3' ' A' ' 16' ' ' LYS . 21.6 p-10 -86.98 10.23 17.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.341 -0.845 . . . . 0.93999999999999995 110.936 178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.62 24.6 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.049 -0.523 . . . . 0.34000000000000002 111.887 -177.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 p -71.23 143.81 88.81 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 109.91 -0.404 . . . . 0.56000000000000005 109.91 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_exo -41.92 -40.27 5.9 Favored 'Trans proline' 0 CA--C 1.533 0.448 0 C-N-CA 123.442 2.762 . . . . 0.53000000000000003 113.991 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.56 -45.33 38.44 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.091 0.404 . . . . 1.6000000000000001 112.091 -176.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.447 ' HD3' ' HB2' ' A' ' 11' ' ' ASN . 81.7 tttt -83.21 -21.03 33.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.018 0.437 . . . . 1.8999999999999999 110.496 -176.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 49.3 tp -62.86 -34.25 76.98 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.232 -0.655 . . . . 0.40999999999999998 109.232 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.22 -36.7 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.122 -0.945 . . . . 0.32000000000000001 110.302 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -64.24 -38.12 89.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.891 -0.595 . . . . 2.1800000000000002 109.842 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.73 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -60.97 -34.58 74.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.814 0.34 . . . . 0.63 110.93 177.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.35 -39.05 81.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.46999999999999997 110.764 177.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -67.46 -37.39 82.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.878 -0.601 . . . . 0.66000000000000003 110.583 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.0 mm? -62.49 -30.25 71.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.83999999999999997 111.075 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.39 -30.46 71.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.864 0.364 . . . . 0.41999999999999998 110.596 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.8 mttm -76.06 -44.3 39.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.284 -0.416 . . . . 2.4399999999999999 110.191 175.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -65.31 -33.98 77.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.426 -0.352 . . . . 1.8500000000000001 111.124 -178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -62.95 -50.44 70.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.149 -0.478 . . . . 2.6200000000000001 111.0 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -73.52 -29.24 62.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.72999999999999998 110.168 -178.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 37.8 tp -62.59 -39.65 94.4 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.979 -0.555 . . . . 1.0900000000000001 110.842 175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.43 -30.2 70.97 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.9 -0.591 . . . . 0.58999999999999997 111.374 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.3 -21.03 31.16 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.142 0.496 . . . . 0.92000000000000004 110.976 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.579 0 CA-C-N 116.427 -0.351 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.194 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.07 121.81 10.55 Favored 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 122.86 2.374 . . . . 1.8899999999999999 112.158 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -70.1 118.52 5.73 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.227 1.951 . . . . 0.93000000000000005 111.857 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 p -87.42 151.34 23.14 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.153 -0.476 . . . . 1.71 110.794 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.677 ' HB3' H33B ' A' ' 27' ' ' 4PH . 19.8 ptpt -86.19 143.31 36.82 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.131 -0.486 . . . . 1.8400000000000001 111.031 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.34 159.22 49.97 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.626 2.218 . . . . 0.70999999999999996 112.415 176.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 t -82.25 152.74 26.24 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.154 176.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -73.35 124.87 90.93 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.0 -0.546 . . . . 1.8799999999999999 110.532 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_exo -57.59 124.36 15.9 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.423 2.082 . . . . 0.56999999999999995 112.121 176.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -70.61 0.91 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.945 -0.645 . . . . 0.35999999999999999 112.034 -179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -96.58 -19.24 19.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.342 0.592 . . . . 2.27 109.775 176.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' C ' ' H ' ' A' ' 13' ' ' THR . 28.8 p-10 -88.77 10.5 20.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.436 -0.802 . . . . 0.93999999999999995 110.54 178.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.27 23.96 0.14 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.34000000000000002 111.654 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' H ' ' C ' ' A' ' 11' ' ' ASN . 12.9 p -63.9 142.17 98.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.185 -0.461 . . . . 0.56000000000000005 109.969 176.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_exo -39.65 -40.13 2.19 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.802 3.001 . . . . 0.53000000000000003 114.218 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.12 -52.25 56.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 1.6000000000000001 111.356 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -75.4 -33.3 60.97 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.487 -0.324 . . . . 1.8999999999999999 110.517 -177.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.2 tp -65.59 -32.43 74.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.065 -0.516 . . . . 0.40999999999999998 110.121 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.11 -42.72 65.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.749 -0.66 . . . . 0.32000000000000001 110.761 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -66.77 -32.6 74.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.25 0.548 . . . . 2.1800000000000002 109.886 176.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.581 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -58.18 -36.85 73.67 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.477 -0.329 . . . . 0.63 111.353 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.85 -42.24 77.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.222 -0.445 . . . . 0.46999999999999997 111.184 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.498 ' HA ' ' HD3' ' A' ' 26' ' ' LYS . 19.4 t70 -72.85 -34.42 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.32 -0.4 . . . . 0.66000000000000003 110.371 178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.1 mm? -66.91 -30.58 70.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.367 -0.378 . . . . 0.83999999999999997 110.832 175.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.35 -32.23 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.157 0.503 . . . . 0.41999999999999998 110.004 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 23' ' ' ASP . 39.7 mtpt -70.55 -50.64 35.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.863 -0.608 . . . . 2.4399999999999999 109.887 174.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.677 H33B ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -63.46 -44.43 94.48 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 111.617 0.229 . . . . 1.8500000000000001 111.617 -175.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -63.65 -43.34 97.06 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.015 0.436 . . . . 2.6200000000000001 110.684 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -74.27 -39.25 63.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.928 -0.578 . . . . 0.72999999999999998 110.996 -177.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 1.1 tm? -60.54 -42.48 96.61 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.771 -0.455 . . . . 1.0900000000000001 109.771 179.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.5 -32.9 73.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.772 -0.649 . . . . 0.58999999999999997 111.082 179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -78.7 -37.71 40.96 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.92000000000000004 110.586 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.329 -0.396 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -63.06 126.54 18.17 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.603 2.202 . . . . 1.8899999999999999 111.616 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' HB3' ' OD2' ' A' ' 30' ' ' ASP . 41.5 Cg_endo -68.85 109.63 2.17 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 0.93000000000000005 111.972 -177.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.8 p -94.53 129.78 41.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.012 0.434 . . . . 1.71 111.038 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -73.62 147.66 87.12 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.758 -0.655 . . . . 1.8400000000000001 110.103 178.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.497 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 46.8 Cg_endo -67.96 161.12 45.51 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.465 2.11 . . . . 0.70999999999999996 111.898 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -71.26 136.15 47.81 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.14 0.495 . . . . 1.0 111.054 -178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.509 ' HD3' H33A ' A' ' 20' ' ' 4PH . 35.3 mmtp -67.55 116.27 35.62 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.486 -0.779 . . . . 1.8799999999999999 110.287 177.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.508 ' HA ' ' OD1' ' A' ' 11' ' ' ASN . 19.4 Cg_exo -66.9 116.37 4.1 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.534 2.156 . . . . 0.56999999999999995 112.381 178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.39 -70.68 0.9 Allowed Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.473 -0.651 . . . . 0.35999999999999999 111.473 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.78 -23.15 18.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.407 0.623 . . . . 2.27 109.936 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.508 ' OD1' ' HA ' ' A' ' 8' ' ' PRO . 24.2 p-10 -85.42 9.91 14.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.635 -0.711 . . . . 0.93999999999999995 110.619 177.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.69 22.12 0.27 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.963 -0.562 . . . . 0.34000000000000002 112.28 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p -58.32 139.17 84.64 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.405 -0.361 . . . . 0.56000000000000005 110.67 175.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -36.46 -49.64 1.31 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 124.4 3.4 . . . . 0.53000000000000003 114.794 -173.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.87 -44.15 90.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.779 0.323 . . . . 1.6000000000000001 111.384 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -76.35 -31.91 58.35 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.24 -0.437 . . . . 1.8999999999999999 110.332 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.2 tp -66.02 -37.24 85.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.072 -0.513 . . . . 0.40999999999999998 110.116 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.65 -43.03 73.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.702 -0.681 . . . . 0.32000000000000001 110.446 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.0 tppt? -62.25 -37.2 84.53 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.826 -0.624 . . . . 2.1800000000000002 110.096 176.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.541 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -58.87 -31.06 68.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.806 0.336 . . . . 0.63 111.004 178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.6 -32.27 57.99 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.04 -0.527 . . . . 0.46999999999999997 110.652 177.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -71.01 -29.74 65.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.953 -0.567 . . . . 0.66000000000000003 110.709 178.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.541 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.9 mm? -58.5 -27.0 64.06 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.349 -0.387 . . . . 0.83999999999999997 110.944 173.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.63 -32.85 71.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.439 -0.346 . . . . 0.41999999999999998 110.969 179.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -66.46 -47.86 71.76 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.412 0.625 . . . . 2.4399999999999999 109.389 176.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -62.75 -38.47 90.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.744 0.307 . . . . 1.8500000000000001 111.284 -176.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -70.01 -45.7 66.68 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.989 0.424 . . . . 2.6200000000000001 110.58 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' OD2' ' HB3' ' A' ' 2' ' ' PRO . 36.0 t70 -70.23 -35.4 73.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.72999999999999998 110.967 -177.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD13 ' O ' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -64.08 -41.24 97.39 Favored 'General case' 0 C--O 1.233 0.192 0 N-CA-C 109.801 -0.444 . . . . 1.0900000000000001 109.801 177.83 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.76 -49.08 78.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.81 -0.632 . . . . 0.58999999999999997 111.073 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -65.19 -39.07 92.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.921 -0.581 . . . . 0.92000000000000004 111.297 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 116.354 -0.385 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.208 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.71 117.11 3.75 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.663 2.242 . . . . 1.8899999999999999 111.575 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.49 99.78 0.85 Allowed 'Trans proline' 0 N--CA 1.463 -0.278 0 C-N-CA 122.279 1.986 . . . . 0.93000000000000005 112.26 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 p -72.51 122.99 22.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.984 -0.553 . . . . 1.71 110.789 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -73.19 135.65 79.54 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 1.8400000000000001 110.72 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 73.8 Cg_endo -80.36 165.22 21.13 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.012 2.475 . . . . 0.70999999999999996 112.49 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.9 t -92.7 155.56 17.63 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.94 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.816 ' HD3' H33B ' A' ' 20' ' ' 4PH . 75.9 mmtt -69.99 120.78 80.06 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.672 -0.695 . . . . 1.8799999999999999 110.411 177.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.49 133.81 59.27 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.58 2.186 . . . . 0.56999999999999995 112.005 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.6 -71.22 0.94 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.712 -0.756 . . . . 0.35999999999999999 111.953 -178.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -93.6 -24.69 17.83 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.344 0.592 . . . . 2.27 109.955 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -84.68 9.93 12.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.419 -0.809 . . . . 0.93999999999999995 110.297 177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.91 25.33 0.21 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.603 -0.726 . . . . 0.34000000000000002 111.589 179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 p -60.05 144.99 85.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.195 -0.457 . . . . 0.56000000000000005 110.049 178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -44.9 -34.09 8.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.045 2.497 . . . . 0.53000000000000003 113.077 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.32 -55.91 15.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 1.6000000000000001 111.366 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -83.42 -25.17 31.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.343 -0.39 . . . . 1.8999999999999999 110.931 -173.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.2 tp -63.91 -36.82 85.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.195 0.522 . . . . 0.40999999999999998 109.872 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.83 83.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.567 -0.742 . . . . 0.32000000000000001 110.338 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -62.4 -37.59 86.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.822 -0.626 . . . . 2.1800000000000002 110.109 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.816 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -59.11 -36.55 75.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.39 . . . . 0.63 111.088 177.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.8 -38.89 80.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.152 -0.476 . . . . 0.46999999999999997 110.987 178.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.81 -36.31 80.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.931 -0.577 . . . . 0.66000000000000003 110.179 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD23 ' O ' ' A' ' 20' ' ' 4PH . 3.2 mm? -65.35 -31.18 72.17 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.83999999999999997 111.085 176.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.37 -36.45 80.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.196 0.522 . . . . 0.41999999999999998 110.11 175.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -71.89 -41.35 68.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.766 -0.652 . . . . 2.4399999999999999 109.998 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 24' ' ' LEU . 84.0 mm-40 -63.73 -29.76 70.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.917 0.389 . . . . 1.8500000000000001 110.84 -178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -74.95 -49.58 19.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.14 -0.482 . . . . 2.6200000000000001 110.374 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.11 -36.8 85.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.72999999999999998 110.315 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 31' ' ' LEU . 1.1 tm? -62.9 -43.63 98.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.889 -0.596 . . . . 1.0900000000000001 110.095 178.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.07 98.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.58999999999999997 111.38 -179.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -74.34 -25.64 59.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.098 -0.501 . . . . 0.92000000000000004 110.968 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.176 -0.465 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.55 115.05 2.27 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.676 2.251 . . . . 1.8899999999999999 111.457 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -72.52 136.28 25.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.129 1.886 . . . . 0.93000000000000005 112.156 -178.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.9 p -94.59 128.47 41.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.336 -0.393 . . . . 1.71 110.634 178.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -75.05 147.2 83.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.039 -0.528 . . . . 1.8400000000000001 110.539 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 94.3 Cg_endo -83.31 158.31 14.91 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.489 2.126 . . . . 0.70999999999999996 111.707 175.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -87.35 144.32 26.83 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.993 0.425 . . . . 1.0 110.586 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -61.41 116.91 22.46 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-N 115.625 -0.716 . . . . 1.8799999999999999 110.615 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.52 ' O ' ' HB2' ' A' ' 12' ' ' ALA . 17.6 Cg_exo -66.71 112.95 2.57 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.461 2.107 . . . . 0.56999999999999995 111.934 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.74 -66.85 0.81 Allowed Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.326 -0.71 . . . . 0.35999999999999999 111.326 176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -82.48 -35.38 27.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.128 0.489 . . . . 2.27 110.572 179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.406 ' ND2' ' HB3' ' A' ' 8' ' ' PRO . 5.0 p-10 -85.19 10.88 11.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.878 -0.601 . . . . 0.93999999999999995 111.085 -179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 8' ' ' PRO . . . -74.81 26.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 113.138 0.792 . . . . 0.34000000000000002 113.138 -175.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.7 p -59.04 133.83 87.45 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.76 -0.2 . . . . 0.56000000000000005 110.604 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -33.35 -60.84 0.21 Allowed 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 125.003 3.802 . . . . 0.53000000000000003 115.623 -170.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -62.87 -41.28 99.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 1.6000000000000001 111.428 -175.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -72.76 -31.31 64.82 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.231 0.539 . . . . 1.8999999999999999 109.859 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 49.6 tp -67.37 -37.65 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.666 -0.697 . . . . 0.40999999999999998 109.883 176.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.9 -40.5 79.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.55 -0.75 . . . . 0.32000000000000001 110.314 176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -63.92 -35.14 79.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 2.1800000000000002 110.045 176.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.57 ' HE2' ' HB2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 83.6 mm-40 -64.02 -28.64 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.63 110.502 177.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.81 -39.45 76.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.057 -0.52 . . . . 0.46999999999999997 110.513 176.071 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -70.36 -35.24 73.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.66000000000000003 109.971 177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 24' ' ' LEU . 14.5 mt -59.88 -39.48 85.42 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 116.414 -0.357 . . . . 0.83999999999999997 110.78 173.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.23 -37.05 76.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.86 0.362 . . . . 0.41999999999999998 110.734 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -70.28 -45.24 66.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.018 -0.537 . . . . 2.4399999999999999 109.896 176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.454 ' O ' ' HB2' ' A' ' 31' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -62.1 -41.69 98.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.469 -0.332 . . . . 1.8500000000000001 111.161 -178.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -69.56 -44.97 69.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.226 -0.443 . . . . 2.6200000000000001 110.789 -178.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -68.4 -34.65 76.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.009 0.433 . . . . 0.72999999999999998 110.116 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 0.8 OUTLIER -67.68 -41.59 83.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.028 -0.533 . . . . 1.0900000000000001 109.869 178.017 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.74 -34.21 74.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 0.58999999999999997 111.157 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -77.89 -33.05 52.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.114 -0.494 . . . . 0.92000000000000004 110.924 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.32 -0.4 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.179 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -55.43 123.37 13.64 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.716 2.277 . . . . 1.8899999999999999 111.663 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.71 107.63 1.7 Allowed 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.273 1.982 . . . . 0.93000000000000005 111.663 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -82.19 135.18 35.31 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.081 -0.509 . . . . 1.71 110.65 -177.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 27' ' ' 4PH . 24.4 pttm -82.21 151.46 66.34 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.315 -0.402 . . . . 1.8400000000000001 110.092 177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.435 ' HB2' ' HE1' ' A' ' 20' ' ' 4PH . 65.5 Cg_endo -73.02 160.17 46.34 Favored 'Trans proline' 0 C--O 1.233 0.266 0 C-N-CA 122.356 2.037 . . . . 0.70999999999999996 111.872 176.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.3 t -86.68 150.87 23.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.98 0.419 . . . . 1.0 110.561 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.662 ' HD3' H33B ' A' ' 20' ' ' 4PH . 33.9 mmtp -64.46 123.75 83.8 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.637 -0.71 . . . . 1.8799999999999999 110.93 -177.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -62.97 122.61 10.94 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.52 2.147 . . . . 0.56999999999999995 112.273 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.98 -71.1 0.92 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.948 -0.644 . . . . 0.35999999999999999 111.811 178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -87.75 -31.02 19.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.54 0.686 . . . . 2.27 109.653 178.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.414 ' C ' ' H ' ' A' ' 13' ' ' THR . 25.6 p-10 -80.57 8.81 7.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.164 -0.926 . . . . 0.93999999999999995 111.095 179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.62 23.32 0.12 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.334 -0.394 . . . . 0.34000000000000002 111.89 -178.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.414 ' H ' ' C ' ' A' ' 11' ' ' ASN . 20.7 p -61.12 139.83 94.29 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.16 -0.473 . . . . 0.56000000000000005 109.984 174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_exo -41.23 -40.92 4.55 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.788 2.992 . . . . 0.53000000000000003 114.252 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.71 -48.13 60.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.941 0.4 . . . . 1.6000000000000001 111.328 -176.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -73.88 -27.56 61.12 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.101 0.477 . . . . 1.8999999999999999 109.911 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.2 tp -67.6 -32.45 73.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.744 -0.662 . . . . 0.40999999999999998 109.805 178.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.15 67.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.669 -0.696 . . . . 0.32000000000000001 110.198 176.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tppp? -58.69 -40.08 82.6 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.832 -0.622 . . . . 2.1800000000000002 110.107 174.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.662 H33B ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -59.19 -34.11 71.76 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.841 0.353 . . . . 0.63 111.025 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.0 -36.3 77.66 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.102 -0.499 . . . . 0.46999999999999997 110.725 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.462 ' HA ' ' HE2' ' A' ' 26' ' ' LYS . 6.7 t70 -70.29 -37.74 74.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.867 -0.606 . . . . 0.66000000000000003 110.112 177.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -61.82 -33.49 74.23 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.019 -0.537 . . . . 0.83999999999999997 110.951 175.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.08 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.927 0.394 . . . . 0.41999999999999998 110.258 177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 23' ' ' ASP . 49.7 mtmt -64.81 -42.47 94.97 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.009 -0.541 . . . . 2.4399999999999999 110.002 176.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -65.69 -37.48 86.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.63 0.252 . . . . 1.8500000000000001 111.5 -175.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -69.04 -41.71 77.29 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.53 -0.304 . . . . 2.6200000000000001 110.402 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -71.61 -35.17 70.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.889 0.376 . . . . 0.72999999999999998 110.451 178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 27' ' ' 4PH . 0.8 OUTLIER -59.86 -37.69 80.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.894 -0.593 . . . . 1.0900000000000001 109.642 177.509 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.0 -34.65 76.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.6 -0.727 . . . . 0.58999999999999997 111.564 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.53 -24.91 36.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.016 0.436 . . . . 0.92000000000000004 110.935 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.31 -0.404 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . 0.584 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.48 114.27 2.16 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 123.108 2.539 . . . . 1.8899999999999999 112.508 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.584 ' HD3' ' H2 ' ' A' ' 0' ' ' ACE . 12.1 Cg_exo -68.6 129.67 19.32 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.679 2.252 . . . . 0.93000000000000005 111.895 176.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -100.31 121.72 41.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.636 0.255 . . . . 1.71 110.59 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.641 ' HD2' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -75.31 137.36 71.7 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 121.137 0.494 . . . . 1.8400000000000001 111.07 -178.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.546 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 83.6 Cg_endo -81.38 159.29 19.84 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 122.802 2.334 . . . . 0.70999999999999996 112.415 178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 t -93.12 157.08 16.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.882 -178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HD3' ' H33' ' A' ' 20' ' ' 4PH . 47.9 mmtm -67.46 121.44 78.93 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.95 -0.568 . . . . 1.8799999999999999 110.532 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.75 123.75 14.49 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.904 2.402 . . . . 0.56999999999999995 112.776 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.97 -70.02 0.88 Allowed Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.698 -0.683 . . . . 0.35999999999999999 111.876 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -94.05 -17.72 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.066 0.46 . . . . 2.27 110.583 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -93.22 10.04 33.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.93999999999999995 110.441 177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.32 26.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.858 -0.61 . . . . 0.34000000000000002 112.466 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.7 p -59.04 143.91 83.39 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.674 -0.491 . . . . 0.56000000000000005 109.674 175.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_exo -48.85 -28.47 13.15 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.662 2.241 . . . . 0.53000000000000003 112.671 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -71.24 -52.39 19.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.73 -0.668 . . . . 1.6000000000000001 110.943 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -79.6 -28.94 41.01 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.05 -0.523 . . . . 1.8999999999999999 110.689 -175.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.02 -38.62 91.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.40999999999999998 110.516 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.5 -43.01 70.56 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.789 -0.641 . . . . 0.32000000000000001 110.667 178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -66.56 -31.41 72.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.592 . . . . 2.1800000000000002 110.21 177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.57 ' H33' ' HD3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm-40 -59.98 -34.36 73.19 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.038 0.447 . . . . 0.63 110.554 176.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.32 -29.52 63.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.953 -0.567 . . . . 0.46999999999999997 110.743 176.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -69.57 -37.95 77.21 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.089 -0.505 . . . . 0.66000000000000003 109.689 176.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD21 ' CZ ' ' A' ' 20' ' ' 4PH . 4.4 mm? -60.86 -34.3 74.4 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.83999999999999997 111.005 174.574 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.24 -33.07 74.69 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.411 . . . . 0.41999999999999998 110.494 177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -67.88 -43.9 78.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.37 0.605 . . . . 2.4399999999999999 109.625 175.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.517 ' CZ ' ' HB3' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -64.2 -35.31 80.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.561 -0.291 . . . . 1.8500000000000001 111.377 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 35.6 ttmt -72.36 -45.01 61.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.845 0.355 . . . . 2.6200000000000001 110.75 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -75.35 -30.23 60.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.387 -0.37 . . . . 0.72999999999999998 110.703 -176.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 tp -63.4 -30.24 71.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.249 -0.432 . . . . 1.0900000000000001 110.541 177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.21 93.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.782 -0.644 . . . . 0.58999999999999997 111.17 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -70.77 -24.57 62.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.127 0.489 . . . . 0.92000000000000004 110.582 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 116.122 -0.49 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 120.56 8.56 Favored 'Trans proline' 0 CA--C 1.528 0.192 0 C-N-CA 122.811 2.341 . . . . 1.8899999999999999 111.749 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_endo -66.82 138.15 47.7 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.282 1.988 . . . . 0.93000000000000005 111.73 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -96.87 141.49 30.0 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.788 0.327 . . . . 1.71 110.545 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -76.07 148.55 81.51 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.267 -0.424 . . . . 1.8400000000000001 110.166 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.475 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 69.4 Cg_endo -73.05 158.92 48.78 Favored 'Trans proline' 0 C--O 1.233 0.249 0 C-N-CA 122.571 2.18 . . . . 0.70999999999999996 112.186 177.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 t -93.54 151.89 19.41 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.393 178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -74.63 120.47 81.66 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.89 -0.595 . . . . 1.8799999999999999 110.979 -176.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.84 127.22 19.02 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.484 2.123 . . . . 0.56999999999999995 112.014 177.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.15 -70.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.529 -0.844 . . . . 0.35999999999999999 112.282 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -94.3 -30.51 14.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.056 0.455 . . . . 2.27 110.319 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.432 ' C ' ' H ' ' A' ' 13' ' ' THR . 11.1 p30 -78.16 9.6 3.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.162 -0.472 . . . . 0.93999999999999995 110.652 177.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.23 25.72 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.937 -0.574 . . . . 0.34000000000000002 111.779 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 11' ' ' ASN . 32.1 p -58.85 139.51 86.7 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.56000000000000005 110.19 178.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_exo -42.79 -40.32 8.0 Favored 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.561 2.84 . . . . 0.53000000000000003 114.036 -174.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -73.39 -34.24 65.42 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.957 0.354 . . . . 1.6000000000000001 111.957 -176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -88.45 -31.79 18.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.927 0.394 . . . . 1.8999999999999999 110.236 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.415 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 32.7 tp -62.64 -33.0 74.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.358 0.599 . . . . 0.40999999999999998 109.861 178.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.02 -42.81 75.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.375 -0.83 . . . . 0.32000000000000001 110.566 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.88 -35.62 81.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.946 -0.57 . . . . 2.1800000000000002 110.233 177.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.562 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 17' ' ' LEU . 27.9 mm-40 -59.67 -34.29 72.66 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.899 0.38 . . . . 0.63 110.975 177.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.09 82.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.906 -0.588 . . . . 0.46999999999999997 110.819 179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.86 -34.83 76.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.176 -0.465 . . . . 0.66000000000000003 110.164 177.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.0 mm? -61.46 -36.27 79.95 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.83999999999999997 110.634 173.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -36.47 83.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.252 -0.431 . . . . 0.41999999999999998 110.456 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -67.55 -47.63 69.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.511 . . . . 2.4399999999999999 109.911 174.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -66.09 -39.28 89.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.63 0.252 . . . . 1.8500000000000001 111.408 -177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -69.2 -40.91 77.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 2.6200000000000001 110.633 179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -73.24 -34.72 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.72999999999999998 110.966 -179.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.25 -43.12 98.93 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.769 -0.456 . . . . 1.0900000000000001 109.769 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.18 -41.76 96.96 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.927 -0.579 . . . . 0.58999999999999997 110.869 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -63.78 -37.49 87.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.781 -0.645 . . . . 0.92000000000000004 110.597 177.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 116.313 -0.403 . . . . 1.3 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 1.6899999999999999 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -57.61 122.89 12.54 Favored 'Trans proline' 0 CA--C 1.529 0.236 0 C-N-CA 122.825 2.35 . . . . 1.8899999999999999 111.869 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HG2' ' HA ' ' A' ' 31' ' ' LEU . 24.3 Cg_exo -60.2 108.88 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.686 2.258 . . . . 0.93000000000000005 112.137 178.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.7 p -73.85 110.31 8.04 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.214 -0.448 . . . . 1.71 111.031 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.582 ' HE2' H33B ' A' ' 27' ' ' 4PH . 18.5 ptpt -64.68 137.73 97.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.094 -0.503 . . . . 1.8400000000000001 110.946 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.436 ' HB2' ' HE2' ' A' ' 20' ' ' 4PH . 38.0 Cg_endo -68.11 153.57 74.56 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.473 2.115 . . . . 0.70999999999999996 112.395 178.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.1 t -85.88 155.68 20.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.083 -0.508 . . . . 1.0 109.915 177.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -80.34 114.78 50.04 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 1.8799999999999999 110.172 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.4 ' HB2' ' HB2' ' A' ' 12' ' ' ALA . 14.1 Cg_exo -67.65 132.87 28.06 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.532 2.155 . . . . 0.56999999999999995 111.941 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.95 -72.0 0.96 Allowed Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.354 -0.927 . . . . 0.35999999999999999 112.645 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -89.26 -26.47 21.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.424 0.63 . . . . 2.27 110.081 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 p-10 -87.37 10.0 18.76 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.235 -0.893 . . . . 0.93999999999999995 110.304 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.4 ' HB2' ' HB2' ' A' ' 8' ' ' PRO . . . -79.49 25.08 0.34 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.545 -0.752 . . . . 0.34000000000000002 111.615 -179.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 p -59.52 142.17 87.51 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.958 -0.564 . . . . 0.56000000000000005 110.735 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -41.06 -39.12 3.35 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 123.755 2.97 . . . . 0.53000000000000003 113.974 -177.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -66.37 -44.02 84.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.618 0.247 . . . . 1.6000000000000001 111.538 -178.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -82.92 -25.8 32.06 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.924 0.392 . . . . 1.8999999999999999 110.116 -179.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.7 tp -63.71 -30.82 71.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.368 0.604 . . . . 0.40999999999999998 109.734 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.11 -47.98 63.72 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.397 -0.82 . . . . 0.32000000000000001 110.303 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -61.98 -34.85 76.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 2.1800000000000002 110.005 176.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' 4PH . . . . . 0.51 ' O ' HD23 ' A' ' 24' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 25.8 mm-40 -60.94 -36.93 80.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 0.63 111.074 177.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.28 82.54 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.136 0.493 . . . . 0.46999999999999997 110.24 177.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -65.64 -38.02 88.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.758 -0.656 . . . . 0.66000000000000003 110.019 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD23 ' O ' ' A' ' 20' ' ' 4PH . 4.4 mm? -66.22 -39.47 89.6 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.83999999999999997 110.839 174.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.99 79.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.967 0.413 . . . . 0.41999999999999998 110.683 178.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -70.48 -41.5 72.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.181 -0.463 . . . . 2.4399999999999999 110.349 176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' 4PH . . . . . 0.582 H33B ' HE2' ' A' ' 4' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -59.04 -43.26 91.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.508 -0.314 . . . . 1.8500000000000001 111.401 -176.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -69.66 -42.66 73.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.311 -0.404 . . . . 2.6200000000000001 110.974 -178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.461 ' OD2' ' HG3' ' A' ' 2' ' ' PRO . 3.9 t70 -67.59 -32.98 74.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.356 -0.383 . . . . 0.72999999999999998 110.044 -178.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 2' ' ' PRO . 0.5 OUTLIER -69.43 -39.48 77.82 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.951 -0.568 . . . . 1.0900000000000001 109.558 178.681 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -37.5 84.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.992 -0.549 . . . . 0.58999999999999997 111.164 178.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -72.09 -26.14 62.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.98 -0.554 . . . . 0.92000000000000004 110.803 177.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' 4PH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 116.007 -0.542 . . . . 1.3 . . . . . . . . . . 0 0 . 1 stop_ save_