data_2ma8_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 2ma8 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.514 HG22 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.528 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.405 HG23 ' HD2' ' A' ' 73' ' ' HIS . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.649 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.605 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.635 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.459 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.404 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.635 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.419 HG23 HD13 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.5 HG13 ' HG3' ' B' ' 45' ' ' GLN . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.627 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.419 HD13 HG23 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HB2' HG13 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.465 HG22 ' HB1' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.405 HG13 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . 0.47 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.471 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.478 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HG ' ' NE2' ' B' ' 24' ' ' GLN . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG12 HD13 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 HD13 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.73 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD11 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.468 ' HB2' HD13 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.415 ' NE2' ' HG ' ' A' ' 26' ' ' SER . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.401 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' B' ' 60' ' ' LEU . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.546 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.546 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.449 ' HB ' ' HB2' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.496 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.405 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.717 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 HD13 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.465 ' HB3' ' HH ' ' A' ' 72' ' ' TYR . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.465 ' HH ' ' HB3' ' A' ' 57' ' ' ARG . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.433 HD12 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HB2' HG13 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.519 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.433 HG12 HD12 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' A' ' 94' ' ' ALA . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.519 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.495 HD13 HD13 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.465 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.431 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.517 ' HA ' ' HB2' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.456 HG21 ' HB1' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.482 HG11 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.732 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.523 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.523 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.405 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.426 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.515 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.503 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 2.6 t-20 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.426 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.482 ' HG2' HG13 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.606 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.606 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.482 HH22 HG11 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.469 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.402 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.732 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.511 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HA ' HD13 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 26' ' ' SER . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.632 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.496 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.857 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.631 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.857 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.74 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 27' ' ' LYS . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HB1' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.522 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.465 HG21 ' HB1' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.465 ' HB1' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.632 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.509 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.406 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 59.7 m-70 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.3 t30 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.464 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.682 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.498 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.498 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.498 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.498 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.682 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.454 ' HD2' HG21 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.454 HG21 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.596 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.42 HD12 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.539 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' B' ' 27' ' ' LYS . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.512 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.596 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.495 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.496 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.516 HG13 HD11 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.516 HD11 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' C ' HD21 ' A' ' 42' ' ' ASN . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.449 HD21 ' C ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.596 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.433 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.463 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.447 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.468 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HA ' HD13 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.407 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 27' ' ' LYS . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.5 ' HB2' HG23 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . 0.464 ' C ' HD21 ' B' ' 42' ' ' ASN . 0.2 OUTLIER -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.525 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.537 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.495 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.537 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.459 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.556 HE21 HG22 ' B' ' 74' ' ' ILE . 1.2 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.475 HG12 HD13 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.494 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.459 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.494 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.516 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.427 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.516 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.556 HG22 HE21 ' A' ' 28' ' ' GLN . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.596 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.432 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.448 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 30' ' ' ILE . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.527 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.608 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.604 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.657 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.406 HG21 ' HB1' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.686 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.439 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . 0.686 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.525 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB2' HG22 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.657 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.477 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.61 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.436 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.477 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.529 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.506 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 11.8 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.49 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.413 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.454 ' CB ' HD12 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.497 HG12 HD11 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.428 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.576 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.504 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . 0.504 HG22 ' HD2' ' B' ' 73' ' ' HIS . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.487 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.535 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.53 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.485 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HB2' HG22 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.419 ' C ' HD13 ' A' ' 50' ' ' ILE . 16.5 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.501 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.442 HG22 ' HB1' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.442 ' HB1' HG22 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.4 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . 0.428 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.514 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.552 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . 0.428 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.449 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . 0.431 ' HB2' HD12 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.501 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 31.0 t60 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.443 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.454 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HA ' ' OD2' ' A' ' 55' ' ' ASP . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HA ' HD11 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.429 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 HE21 ' B' ' 28' ' ' GLN . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.429 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 74' ' ' ILE . 1.3 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.66 ' NE2' ' HD2' ' B' ' 84' ' ' PHE . 0.1 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.683 ' HA ' ' ND2' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.417 HD13 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' SER . . . . . 0.422 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.468 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.443 ' HB2' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . 0.683 ' ND2' ' HA ' ' B' ' 46' ' ' SER . 16.5 m120 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . 0.66 ' HD2' ' NE2' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.509 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' HB2' HG22 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.465 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.466 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 15.2 t60 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.453 ' HG2' HG13 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.779 ' HA ' HE21 ' B' ' 49' ' ' GLN . 0.0 OUTLIER -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.504 ' HB2' HG21 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.503 HG23 ' HB1' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.503 ' HB1' HG23 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.552 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.417 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.417 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD13 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.515 HG21 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 14.4 mm100 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.503 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.406 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.435 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . 0.515 ' HG2' HG21 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.435 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.406 ' OE1' ' HD2' ' A' ' 57' ' ' ARG . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.745 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.493 ' HG3' HG12 ' B' ' 50' ' ' ILE . 82.5 mm-40 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' B' ' 45' ' ' GLN . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.464 ' HB2' HG21 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.468 ' HA ' HD11 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.43 ' HB3' HG22 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.43 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . 0.407 ' HB2' HD13 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . 0.441 HG22 ' HB1' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.517 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.43 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.745 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.489 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.491 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.498 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.523 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.513 HD13 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.46 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.629 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.695 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.46 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . 0.695 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.417 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 18.7 t60 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' HG22 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.489 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.489 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.555 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.531 ' HA ' HD13 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.555 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.508 ' HB2' HG22 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' B' ' 37' ' ' LYS . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.467 HG23 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.5 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.5 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.539 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' SER . . . . . 0.52 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.539 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.417 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.509 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.509 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . 0.574 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' HD11 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLN . . . . . 0.533 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.533 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.504 ' HB2' HG22 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' TYR . . . . . 0.574 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' GLU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' ASN . . . . . 0.425 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.524 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.514 HG22 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.528 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.415 ' HB ' ' HB1' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.649 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.649 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.649 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.524 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.405 HG23 ' HD2' ' A' ' 73' ' ' HIS . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB1' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.503 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.503 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.531 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.649 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.02 85.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -125.54 15.86 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 110.041 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -95.44 159.74 14.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.612 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.42 150.26 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.047 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.57 142.21 57.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.98 136.07 45.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -91.4 29.18 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 122.074 0.94 . . . . 0.0 108.782 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -113.75 43.64 1.77 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.876 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -56.32 -49.57 73.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -166.47 -56.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.491 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.605 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.635 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.459 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.404 ' HB3' ' HB1' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.635 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.459 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.462 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.419 HG23 HD13 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.594 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.5 HG13 ' HG3' ' B' ' 45' ' ' GLN . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.627 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.479 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.419 HD13 HG23 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.405 ' HB2' HG13 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.58 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.465 HG22 ' HB1' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.528 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.405 HG13 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.574 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.47 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.471 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.42 73.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.3 p -142.69 23.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -117.46 144.54 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.216 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.908 ' HG ' ' H ' ' B' ' 98' ' ' GLU . 18.8 tp -147.07 -158.77 0.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.05 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.908 ' H ' ' HG ' ' B' ' 97' ' ' LEU . 34.5 mm-40 -52.49 129.1 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -103.23 82.45 2.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 168.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.6 101.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -133.42 -66.98 0.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.821 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.35 -81.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.921 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -175.53 159.86 2.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.922 176.371 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.478 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HG ' ' NE2' ' B' ' 24' ' ' GLN . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG12 HD13 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 HD13 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.403 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.701 HG22 HD11 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.73 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.73 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.509 HG21 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' HB2' HG21 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD11 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.484 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.701 HD11 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.468 ' HB2' HD13 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.403 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -94.03 3.83 54.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 p -87.95 60.74 6.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.258 0.551 . . . . 0.0 111.79 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -129.94 122.81 29.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.89 102.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.299 0.571 . . . . 0.0 110.299 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -116.2 19.31 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.272 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -67.09 -33.03 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.381 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -96.96 12.2 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.733 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -129.87 112.26 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 110.308 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -90.98 105.64 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.015 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.666 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.415 ' NE2' ' HG ' ' A' ' 26' ' ' SER . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.551 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.551 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.504 ' HB2' HG21 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.496 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.515 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.523 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.401 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.477 HG22 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.477 ' HB2' HG22 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' B' ' 60' ' ' LEU . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.535 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.405 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.546 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.441 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.441 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.447 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.546 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.523 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.449 ' HB ' ' HB2' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.496 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.405 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.25 18.37 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 16.4 p -84.59 3.85 34.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.771 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -80.63 90.67 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.87 148.38 51.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.216 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.15 137.91 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -132.87 14.17 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.669 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -85.17 87.2 7.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.199 0.523 . . . . 0.0 111.721 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -135.65 6.21 3.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.739 0.781 . . . . 0.0 108.939 172.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -148.08 164.57 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.553 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -84.54 122.59 29.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.291 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.577 ' HB2' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.409 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.717 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 HD13 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.411 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.465 ' HB3' ' HH ' ' A' ' 72' ' ' TYR . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.577 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.465 ' HH ' ' HB3' ' A' ' 57' ' ' ARG . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.504 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -173.77 -44.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -117.41 166.83 11.86 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.732 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -92.56 35.89 1.02 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt 67.79 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.49 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.0 148.54 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 0.0 111.284 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -126.33 146.91 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.292 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -80.94 129.93 34.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 110.626 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -93.21 118.38 31.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -90.5 140.98 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -97.68 2.21 49.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.369 -170.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.331 176.166 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.402 ' O ' HG13 ' B' ' 30' ' ' ILE . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.452 HG21 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.421 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.466 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.457 HG23 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.41 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.524 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.457 ' HB2' HG23 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.433 HD12 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.493 ' HB2' HG13 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.519 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.4 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.433 HG12 HD12 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.717 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.425 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.466 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.425 ' HB3' HD13 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.493 HG13 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.519 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.452 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . 70.51 -18.87 0.23 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.41 ' H ' ' C ' ' B' ' 93' ' ' ASP . 15.1 t -156.05 160.15 39.74 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' B' ' 97' ' ' LEU . 3.5 mptp? -80.53 -44.87 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 96' ' ' LYS . 7.1 mt 179.63 -48.82 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.362 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.46 150.58 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.541 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -100.09 109.31 21.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -59.73 136.32 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.586 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -86.47 124.95 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.531 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -115.75 135.72 53.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -146.42 122.49 10.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.028 179.752 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.541 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.521 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.541 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.521 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.51 HD11 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.612 HG13 ' HD2' ' A' ' 96' ' ' LYS . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.479 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.519 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.495 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD13 HD13 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.495 HD13 HD13 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.532 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.42 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.49 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.456 ' HA ' HG22 ' A' ' 36' ' ' VAL . . . -78.43 -8.99 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -101.08 134.59 43.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.612 ' HD2' HG13 ' A' ' 36' ' ' VAL . 48.3 mtpt -129.41 162.19 28.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.858 0.361 . . . . 0.0 110.684 -176.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -97.06 117.85 32.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.78 -80.36 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.293 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -101.77 -38.77 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.107 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -80.73 85.13 6.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -72.73 -55.82 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.868 -169.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.4 t60 60.68 73.91 0.47 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.671 0.748 . . . . 0.0 110.41 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -103.69 -9.16 19.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.244 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.0 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.653 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.465 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.465 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . 0.59 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.41 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.561 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.47 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.539 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.431 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.539 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.517 ' HA ' ' HB2' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.483 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.456 HG21 ' HB1' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.561 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.41 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -66.33 -11.6 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.7 m -82.16 89.65 6.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.825 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -120.06 115.91 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.904 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.91 96.84 7.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.189 0.518 . . . . 0.0 110.51 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.39 -173.59 2.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.483 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 m80 68.12 -72.49 0.1 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.187 0.595 . . . . 0.0 112.129 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.321 -171.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 20.8 m80 66.82 113.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.698 0.624 . . . . 0.0 111.398 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -76.72 69.76 3.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.061 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.57 -25.16 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 169.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.546 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.501 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.482 HG11 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.478 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.504 HG12 HD11 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.732 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.503 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.515 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.523 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.5 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.523 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.621 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.621 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.405 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.515 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.523 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.609 ' OD1' ' HG3' ' A' ' 96' ' ' LYS . 2.6 t-20 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.11 24.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -98.13 -15.08 20.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.443 0.639 . . . . 0.0 109.81 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.609 ' HG3' ' OD1' ' A' ' 92' ' ' ASN . 2.0 mmmp? -72.78 165.57 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.01 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tt 65.3 100.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.954 0.784 . . . . 0.0 109.057 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.07 -170.59 1.94 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.476 0.655 . . . . 0.0 112.1 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -152.54 158.6 42.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -66.96 130.68 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.326 0.391 . . . . 0.0 111.298 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.31 90.97 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -81.4 95.38 7.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.513 -177.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -144.99 141.92 29.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.439 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.706 178.278 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.426 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.508 HG21 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.433 ' HB ' ' HZ1' ' B' ' 96' ' ' LYS . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.511 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.482 ' HG2' HG13 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.606 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.606 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.482 HH22 HG11 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.469 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.402 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.437 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.732 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.511 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.437 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.469 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.586 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.46 ' C ' ' H ' ' B' ' 95' ' ' THR . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.69 21.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.46 ' H ' ' C ' ' B' ' 93' ' ' ASP . 16.7 m -122.32 108.1 12.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.998 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.433 ' HZ1' ' HB ' ' B' ' 36' ' ' VAL . 62.1 mttp -136.92 -51.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -105.31 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -169.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -92.6 152.23 19.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.168 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -127.09 171.05 11.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.719 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -73.22 148.89 43.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -117.6 119.39 34.85 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -114.87 104.9 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.306 0.574 . . . . 0.0 111.14 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -176.82 122.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.781 178.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.518 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' HA ' HD13 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 26' ' ' SER . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.632 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.496 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.857 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.631 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.857 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.631 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.456 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.496 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.415 ' HB1' HD12 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.65 87.2 0.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -122.34 -60.12 1.58 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.138 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -82.96 68.9 9.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.546 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.3 -38.82 41.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -87.07 133.32 33.61 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.042 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -121.72 -22.19 5.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -146.11 104.44 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.723 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -112.73 83.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 110.16 170.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -82.74 91.56 7.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.159 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -139.69 134.8 32.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.226 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.068 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.478 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.74 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' B' ' 27' ' ' LYS . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.434 ' O ' ' HB1' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.522 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.533 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.478 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.465 HG21 ' HB1' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.465 ' HB1' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.632 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.533 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.544 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.434 ' HB1' ' O ' ' B' ' 34' ' ' LYS . . . -76.64 77.46 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -121.59 3.46 10.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.664 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -128.2 88.7 2.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.09 -174.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.403 HD11 ' HG3' ' B' ' 98' ' ' GLU . 4.0 pp -105.19 -17.33 14.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.556 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' B' ' 97' ' ' LEU . 50.2 mt-10 -90.95 120.41 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.157 175.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.57 -22.81 13.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -135.7 119.77 17.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.377 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -111.73 85.73 2.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -145.03 93.71 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.79 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -115.46 -2.08 12.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.721 0.772 . . . . 0.0 108.925 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 45.6 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.565 178.351 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.509 HD11 ' HB2' ' A' ' 73' ' ' HIS . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.563 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.505 HD11 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.509 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.406 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 59.7 m-70 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.3 t30 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.439 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.464 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.14 76.16 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 p -100.3 -79.06 0.5 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.83 -174.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.37 90.8 6.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.359 . . . . 0.0 111.278 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.64 80.17 8.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.21 116.04 6.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.303 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -96.44 -11.68 25.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.245 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -87.06 64.95 8.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -130.3 -175.87 3.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.072 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.14 -11.91 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -89.08 110.22 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.494 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.118 -178.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.682 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.498 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.498 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.498 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.498 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.4 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.682 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.454 ' HD2' HG21 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.454 HG21 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.505 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.523 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.523 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.418 ' CB ' HD13 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.505 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.61 62.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 98.6 m -107.56 -35.42 6.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.224 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' B' ' 96' ' ' LYS . 70.0 mmtt -88.43 18.47 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.006 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.3 mt -85.75 64.63 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' B' ' 100' ' ' HIS . 44.2 mt-10 -96.01 -7.21 36.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.436 -173.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 m80 71.27 -27.69 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 176.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.451 ' H ' ' C ' ' B' ' 98' ' ' GLU . 33.4 m170 -66.73 92.39 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 112.21 -172.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -154.77 -84.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.912 . . . . 0.0 108.818 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -139.67 22.99 2.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -136.2 153.86 51.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.24 -172.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 p80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.947 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.539 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.502 ' HA ' HD11 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.519 HG22 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.596 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG22 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.573 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.42 HD12 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.43 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.598 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.557 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.557 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.499 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.432 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.433 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.98 83.12 1.78 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m 70.05 117.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.601 0.715 . . . . 0.0 111.636 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -80.39 95.54 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.8 -15.26 54.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.54 120.6 17.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.213 0.53 . . . . 0.0 110.166 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -107.61 -11.72 15.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.228 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -78.0 90.63 4.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.001 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -114.28 -71.33 0.75 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -126.75 146.39 50.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 169.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -150.2 138.94 20.79 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.742 178.282 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.539 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.519 ' HA ' HD11 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' B' ' 27' ' ' LYS . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.512 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.507 HG22 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.507 ' HB2' HG22 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.596 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.495 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.01 -15.71 20.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.85 75.92 7.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.176 0.512 . . . . 0.0 111.066 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.502 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -77.21 87.5 3.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.84 -26.59 59.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.137 -174.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 121.04 9.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -149.62 18.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.67 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.16 91.8 3.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.739 0.304 . . . . 0.0 110.385 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -116.15 -76.37 0.57 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.462 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -171.39 151.14 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -100.1 -22.15 15.31 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.266 175.127 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.496 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.458 ' HB3' ' HB2' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.516 HG13 HD11 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.516 HD11 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.447 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' C ' HD21 ' A' ' 42' ' ' ASN . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.449 HD21 ' C ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.514 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.596 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD21 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.514 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.433 ' HB3' HD21 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.463 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.447 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -77.89 2.51 17.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 m -99.43 98.11 9.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.897 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.49 ' HG2' ' HG ' ' A' ' 97' ' ' LEU . 88.1 tttt -142.35 -66.8 0.39 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.269 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.49 ' HG ' ' HG2' ' A' ' 96' ' ' LYS . 96.1 mt -136.05 176.73 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.36 148.87 49.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.69 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -142.79 21.78 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.63 -4.13 44.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.804 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -67.35 125.15 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.77 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -87.48 154.86 20.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -80.8 165.16 22.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.856 0.36 . . . . 0.0 110.803 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.617 178.347 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.468 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.5 ' HA ' HD13 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.407 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.468 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' B' ' 27' ' ' LYS . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.5 ' HB2' HG23 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.508 HG22 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . 0.464 ' C ' HD21 ' B' ' 42' ' ' ASN . 0.2 OUTLIER -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.525 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.43 HG22 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.453 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.53 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.537 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.437 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.415 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.495 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.525 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.437 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.537 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.459 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG22 ' B' ' 36' ' ' VAL . . . -75.68 80.06 2.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m -153.02 -79.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.041 173.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.421 ' HB3' ' H ' ' B' ' 97' ' ' LEU . 79.0 mttt 56.42 -165.7 0.13 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.556 0.535 . . . . 0.0 111.531 -176.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.421 ' H ' ' HB3' ' B' ' 96' ' ' LYS . 77.8 mt -83.44 164.38 19.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.343 177.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.39 148.92 23.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -126.09 138.72 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.943 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -134.98 22.12 3.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.501 0.667 . . . . 0.0 109.764 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -79.07 132.12 36.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.864 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 35.2 m-70 -84.06 -166.72 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 50.6 t60 -76.75 141.87 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.623 -166.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.377 170.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.403 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.493 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.481 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.556 HE21 HG22 ' B' ' 74' ' ' ILE . 1.2 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.493 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.475 HG12 HD13 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD13 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.511 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.494 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.571 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.466 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.459 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.417 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.494 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.484 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.511 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.466 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.57 50.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -75.68 -26.74 57.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.316 0.579 . . . . 0.0 109.974 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.3 144.89 31.19 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.999 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.85 13.44 24.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.482 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.32 83.74 7.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.169 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -142.82 26.47 1.72 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 171.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.37 -16.14 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.653 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.5 t60 65.81 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.225 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -129.81 -179.89 5.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.495 171.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.628 0.251 . . . . 0.0 110.457 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.615 -0.707 . . . . 0.0 109.207 173.64 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.603 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.444 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.516 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.427 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.516 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.413 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.487 HD11 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.487 ' HA ' HD11 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.603 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.444 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.556 HG22 HE21 ' A' ' 28' ' ' GLN . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.596 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.432 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.448 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.448 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.596 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.34 50.2 1.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -56.82 -41.59 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.327 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -89.85 -86.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' B' ' 100' ' ' HIS . 0.6 OUTLIER 179.99 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 70.24 -47.94 0.63 Allowed 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.978 0.799 . . . . 0.0 112.268 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -64.54 -22.89 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.068 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . 0.683 ' HB2' HD11 ' B' ' 97' ' ' LEU . 38.4 t-80 -74.55 107.05 6.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.131 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.22 160.98 14.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.182 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -105.47 -45.28 4.49 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -131.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.8 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.691 175.819 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.653 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' O ' HG13 ' A' ' 30' ' ' ILE . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.527 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' HB2' HG21 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.43 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' HG3' HD11 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.529 HD11 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.608 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.604 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.653 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.657 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.406 HG21 ' HB1' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.537 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.406 ' HB1' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.686 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.426 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -72.12 -23.98 61.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.2 p -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -79.62 121.52 25.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.393 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.49 107.97 5.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.61 166.64 11.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.908 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -76.98 102.22 6.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.317 -176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -79.71 127.64 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.482 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -147.26 74.76 1.34 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.264 0.555 . . . . 0.0 110.63 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -114.4 131.89 56.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.551 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 20.1 t-80 -80.61 -103.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.663 -176.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.551 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 30.6 t-80 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.507 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.439 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.472 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . 0.686 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.529 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.506 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.525 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.572 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.572 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.482 ' HB2' HG22 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.657 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.507 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.477 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.61 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB3' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.516 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.459 ' HB3' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.436 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.436 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.525 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.516 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.477 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.529 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.434 ' HB3' HG21 ' B' ' 95' ' ' THR . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.506 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -65.76 -26.34 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.434 HG21 ' HB3' ' B' ' 93' ' ' ASP . 14.6 t -71.23 163.4 27.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.405 ' HE3' ' HB3' ' B' ' 96' ' ' LYS . 4.6 ptpp? -171.36 -176.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.588 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.48 110.05 22.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -173.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.78 169.14 10.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 170.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -65.65 -26.62 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.524 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 70.2 t60 64.21 82.97 0.17 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.675 0.609 . . . . 0.0 110.699 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -131.33 101.66 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.189 0.519 . . . . 0.0 111.867 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -123.37 105.9 10.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.02 104.84 11.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.244 176.424 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 11.8 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.569 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.468 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.413 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.454 ' CB ' HD12 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.28 53.49 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.5 m -67.36 -6.09 17.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.52 ' HG2' ' HB2' ' A' ' 98' ' ' GLU . 66.6 tttp -57.9 -38.86 76.59 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.6 mt 56.41 30.67 17.38 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.16 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.52 ' HB2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 tm-20 -79.88 6.72 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.562 0.696 . . . . 0.0 110.313 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.92 14.31 1.85 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.732 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -117.92 13.99 14.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -122.56 4.26 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.794 -169.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -96.08 103.72 15.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 0.0 111.571 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -138.72 98.91 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.384 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.927 -0.558 . . . . 0.0 110.112 -176.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.433 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.497 HG12 HD11 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.497 HD11 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.485 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.535 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.428 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.413 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.413 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.576 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.428 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.536 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.504 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.47 HG21 ' HB3' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.504 HG22 ' HD2' ' B' ' 73' ' ' HIS . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.47 ' HB3' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.487 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . 0.405 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.405 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.436 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.487 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.535 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.53 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.485 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' B' ' 95' ' ' THR . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 30.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.439 ' H ' ' C ' ' B' ' 93' ' ' ASP . 21.1 m -63.77 -40.75 97.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.338 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.27 103.13 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.972 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.8 mt -107.68 -22.26 12.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.3 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 65.69 4.79 3.01 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.091 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -81.91 69.8 8.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.339 0.59 . . . . 0.0 110.536 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -166.69 -45.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.538 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -129.13 80.69 1.98 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.275 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 92.42 3.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -123.87 137.65 54.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.883 . . . . 0.0 108.953 172.411 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.479 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HB3' ' HB2' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' HB2' HG22 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.529 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.419 ' C ' HD13 ' A' ' 50' ' ' ILE . 16.5 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.605 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.501 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.479 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.442 HG22 ' HB1' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.442 ' HB1' HG22 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.43 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.529 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.4 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.79 46.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -2.64 54.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 111.117 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -75.4 106.4 6.92 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.59 134.87 37.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.33 146.0 29.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.312 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -79.28 88.02 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.973 0.892 . . . . 0.0 109.261 171.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -94.27 -10.11 33.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.234 -173.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -116.83 171.78 7.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.333 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -122.2 120.76 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.67 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -89.9 145.19 25.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.356 177.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . 0.428 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.514 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.462 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.51 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.403 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.552 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.552 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.444 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . 0.42 ' HB3' HD12 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . 0.428 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.514 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.449 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.431 HD12 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.51 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.431 ' HB2' HD12 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.78 82.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.8 p -124.54 7.88 8.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.914 -176.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.419 ' HE2' ' OD1' ' B' ' 92' ' ' ASN . 4.5 mptp? -91.88 113.18 25.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.137 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.26 111.86 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.16 145.14 43.63 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -81.38 72.01 8.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.832 0.825 . . . . 0.0 110.114 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -127.71 43.49 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.417 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -134.64 139.73 45.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.349 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.32 119.1 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.762 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -73.62 -23.02 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.32 0.581 . . . . 0.0 109.755 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.094 177.904 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.401 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HA ' HD13 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.533 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.501 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.56 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 31.0 t60 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.454 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.554 ' HA ' ' OD2' ' A' ' 55' ' ' ASP . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.527 ' HA ' HD11 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.597 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.429 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.548 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.401 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.502 HG23 HE21 ' B' ' 28' ' ' GLN . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.536 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.429 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.431 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 71.9 -21.14 0.23 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.433 ' H ' ' C ' ' A' ' 93' ' ' ASP . 2.7 m 68.04 -177.68 0.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.625 ' HB3' ' HZ1' ' A' ' 96' ' ' LYS . 0.5 OUTLIER -81.25 -10.31 59.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.794 -0.566 . . . . 0.0 111.755 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mp 61.67 11.62 4.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.849 0.46 . . . . 0.0 111.509 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.55 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -100.47 91.4 4.67 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -82.97 89.55 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.686 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -79.08 -27.07 42.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.972 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -106.05 112.67 25.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.471 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -100.75 165.09 11.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.485 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.93 139.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.101 -179.423 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.468 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.496 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.502 HE21 HG23 ' A' ' 74' ' ' ILE . 1.3 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.496 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.417 HG11 HD13 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.66 ' NE2' ' HD2' ' B' ' 84' ' ' PHE . 0.1 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.683 ' HA ' ' ND2' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.417 HD13 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . 0.422 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.419 ' HZ1' ' CG2' ' B' ' 95' ' ' THR . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.467 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.468 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.509 HG22 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.443 ' HB2' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.509 ' HB2' HG22 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.56 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . 0.683 ' ND2' ' HA ' ' B' ' 46' ' ' SER . 16.5 m120 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . 0.66 ' HD2' ' NE2' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.443 ' HB ' ' HB2' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.92 95.1 1.13 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.744 HG22 ' HG3' ' B' ' 96' ' ' LYS . 12.2 t -154.67 -173.03 4.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.512 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.744 ' HG3' HG22 ' B' ' 95' ' ' THR . 29.7 mtpp 60.79 37.69 18.58 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.464 0.477 . . . . 0.0 110.425 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -64.06 -35.24 80.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.063 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.48 92.24 1.45 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.076 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.0 112.99 19.59 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -69.79 -2.42 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.878 0.37 . . . . 0.0 111.625 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -140.43 108.44 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -88.66 149.98 23.25 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -140.18 165.01 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.248 174.373 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.509 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.463 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' HB2' HG22 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.51 ' HA ' HD12 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.509 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.465 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.557 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 64.87 6.99 3.64 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.9 m 70.55 125.3 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -73.25 -31.09 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.429 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.5 mt 62.31 -172.17 0.16 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.374 0.421 . . . . 0.0 111.281 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.08 -166.2 0.14 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.754 0.787 . . . . 0.0 112.545 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.4 m80 -131.34 -159.5 0.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.801 173.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 69.25 4.81 4.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 111.023 178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -96.61 7.34 46.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.17 0.51 . . . . 0.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -128.94 -67.73 0.77 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -172.95 146.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.886 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.415 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.466 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . 0.557 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 15.2 t60 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.552 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.453 ' HG2' HG13 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.779 ' HA ' HE21 ' B' ' 49' ' ' GLN . 0.0 OUTLIER -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.494 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.494 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.504 ' HB2' HG21 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.461 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.503 HG23 ' HB1' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.503 ' HB1' HG23 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.516 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.552 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -164.46 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -160.72 123.67 3.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -88.87 113.1 24.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.274 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.91 -6.18 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.842 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -66.85 110.36 3.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.28 -23.82 20.03 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 -10.96 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 7.5 39.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -114.66 171.97 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.583 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.38 177.73 8.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 177.54 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.463 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.431 ' HB2' HG22 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.489 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.517 HD11 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.58 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.444 HG23 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 8.83 0.92 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 p -79.49 9.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.237 0.541 . . . . 0.0 110.703 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.6 -27.5 27.07 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.2 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.04 -26.45 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.32 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.51 151.65 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 111.608 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.0 30.37 6.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.427 0.632 . . . . 0.0 109.769 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -75.07 80.51 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.341 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.16 71.66 1.02 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 111.436 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -114.03 -77.38 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 165.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -112.19 -34.79 5.82 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 157.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.692 168.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.417 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.417 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.429 HG12 HD13 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.445 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.515 HG21 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.443 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.792 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.792 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 14.4 mm100 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.503 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.483 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . 0.483 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.539 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.406 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.435 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.438 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.443 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.515 ' HG2' HG21 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.435 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.445 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.83 60.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 82.21 8.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.938 0.399 . . . . 0.0 110.225 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -160.26 30.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.461 0.648 . . . . 0.0 109.682 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 49.4 tp -125.44 -10.27 6.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.688 0.756 . . . . 0.0 109.773 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -72.01 141.15 49.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.49 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -82.99 77.2 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -145.6 103.7 3.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.664 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -177.39 104.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.626 169.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -95.46 -84.2 0.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -106.69 -25.47 11.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 160.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 . . . . . 0 C--O 1.249 1.056 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.103 169.761 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.476 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.434 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.447 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.555 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.427 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.427 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.538 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.605 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.28 77.59 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.5 HG23 ' HG3' ' A' ' 96' ' ' LYS . 12.3 t -166.29 178.92 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.535 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.5 ' HG3' HG23 ' A' ' 95' ' ' THR . 41.6 mtpt 60.81 34.98 19.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.075 0.464 . . . . 0.0 110.947 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.29 138.68 45.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.017 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -64.47 129.6 40.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.416 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.81 121.97 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.8 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.56 17.05 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.897 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -70.87 122.54 20.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.961 0.41 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -98.98 -43.83 6.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.655 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -78.99 72.96 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.541 174.751 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.545 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.432 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.406 ' OE1' ' HD2' ' A' ' 57' ' ' ARG . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.496 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.745 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.517 ' HB ' ' HB2' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.493 ' HG3' HG12 ' B' ' 50' ' ' ILE . 82.5 mm-40 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.493 HG12 ' HG3' ' B' ' 45' ' ' GLN . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.464 ' HB2' HG21 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.492 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.468 ' HA ' HD11 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.43 ' HB3' HG22 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.43 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.545 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . 0.407 ' HB2' HD13 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . 0.441 HG22 ' HB1' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.507 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.517 ' HB2' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.43 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.745 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' B' ' 95' ' ' THR . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . -78.24 33.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' THR . . . . . 0.404 ' H ' ' C ' ' B' ' 93' ' ' ASP . 1.2 p -109.28 -24.71 10.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -85.9 99.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -98.11 174.01 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.15 121.58 23.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -86.9 70.18 10.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -145.53 85.16 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -137.7 116.48 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.965 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.1 100.02 8.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -165.17 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 0.0 110.665 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.846 -176.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.489 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.489 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.401 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.498 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.422 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.439 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.491 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.51 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.51 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.491 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.458 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.498 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.405 ' OD1' ' HE3' ' A' ' 96' ' ' LYS . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.25 24.29 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -89.94 3.88 51.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.378 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.405 ' HE3' ' OD1' ' A' ' 92' ' ' ASN . 97.5 mttt -81.38 81.83 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.345 0.593 . . . . 0.0 111.566 -177.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.1 tt -90.17 113.97 25.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -22.48 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -80.06 72.77 6.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.358 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.0 115.32 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -86.62 69.11 10.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.166 -170.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 68.64 -66.1 0.25 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 166.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -87.92 150.46 23.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.205 0.526 . . . . 0.0 111.48 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.629 -1.177 . . . . 0.0 108.474 173.715 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.523 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.513 HD13 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.503 ' HB ' ' HB1' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.632 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.463 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.46 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.629 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.629 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.695 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.46 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.503 ' HB1' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.695 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 71.5 5.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 19.1 m -80.53 -98.07 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' B' ' 96' ' ' LYS . 0.6 OUTLIER 50.55 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.411 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.5 tp -170.98 95.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.875 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.87 151.03 43.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.408 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 36.1 m80 55.39 39.23 31.15 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.578 0.549 . . . . 0.0 111.236 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 169.89 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.727 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -86.18 156.03 20.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.14 -12.75 61.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.278 0.561 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -128.91 117.25 20.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.599 -179.714 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 18.7 t60 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.433 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG22 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.44 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.451 ' HB2' HG22 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.489 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.437 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -69.82 -4.63 20.96 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -72.78 -41.79 64.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.747 0.308 . . . . 0.0 111.112 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? 55.45 73.94 0.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.64 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.606 ' H ' HD21 ' A' ' 97' ' ' LEU . 2.6 pt? -107.74 162.09 14.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.81 158.97 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.425 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.13 105.61 15.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -90.98 6.56 44.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.168 0.508 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -112.3 85.75 2.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -88.94 118.37 28.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.763 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -147.69 144.05 28.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.272 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . 0.52 ' HB1' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.522 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.555 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.531 ' HA ' HD13 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.555 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.565 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.508 ' HB2' HG22 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.608 ' HZ1' ' HB3' ' B' ' 37' ' ' LYS . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.467 HG23 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.5 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.5 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.539 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.52 ' HA ' ' HB1' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.539 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . 0.518 ' HB1' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.417 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.518 ' HB ' ' HB1' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . 0.444 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.83 19.91 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -80.07 95.45 6.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.0 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . 0.689 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.1 OUTLIER -93.87 -8.39 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 171.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.19 134.14 56.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.523 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.75 117.13 8.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.051 0.453 . . . . 0.0 110.794 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -96.34 90.89 5.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.327 0.584 . . . . 0.0 109.48 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -71.99 78.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.889 0.852 . . . . 0.0 111.284 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -135.35 73.28 1.47 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.787 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.95 113.84 13.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.701 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -138.48 -60.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.82 0.7 . . . . 0.0 110.547 -172.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.461 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.542 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.452 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 HD11 ' N ' ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.41 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.566 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.509 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.531 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.442 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.452 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.509 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.98 14.37 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -65.25 -25.68 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.339 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -120.43 70.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.06 111.93 24.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.13 121.81 27.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -69.13 -53.57 19.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.902 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -129.57 106.76 8.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 110.381 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.95 141.56 51.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.982 0.42 . . . . 0.0 110.379 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.458 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 2.0 p-80 -143.77 85.55 1.83 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 67.8 m80 69.85 -54.88 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -163.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 168.342 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . 0.574 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' HA ' HD11 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.497 HD11 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLN . . . . . 0.533 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.533 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ILE . . . . . 0.504 HG22 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . 0.587 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.504 ' HB2' HG22 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ARG . . . . . 0.522 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.522 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLY . . . . . 0.425 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' TYR . . . . . 0.574 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' GLU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' GLU . . . . . 0.5 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ALA . . . . . 0.531 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' TYR . . . . . 0.419 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.425 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.22 63.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -75.25 -68.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.528 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -104.0 95.64 6.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.424 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -115.6 141.39 48.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -97.51 174.78 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.095 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -131.78 -17.64 2.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.708 0.289 . . . . 0.0 111.298 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.14 92.58 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' B' ' 102' ' ' HIS . 56.7 t-80 -66.44 -66.38 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.938 -171.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' HIS . . . . . 0.456 ' HB3' ' O ' ' B' ' 101' ' ' HIS . 28.8 t-80 68.51 138.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 109.835 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.49 106.4 15.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.088 0.471 . . . . 0.0 110.932 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.153 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.651 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.651 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.675 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.568 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.675 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.642 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.457 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.642 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' B' ' 55' ' ' ASP . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.617 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.428 ' HB2' HG11 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.541 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 92' ' ' ASN . . . . . 0.486 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.501 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.544 HG12 HD12 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.711 HG22 HD12 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.748 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.563 ' HB2' HG23 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.711 HD12 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.493 ' HB2' HD11 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.513 ' HA ' HE22 ' B' ' 28' ' ' GLN . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.513 HE22 ' HA ' ' A' ' 76' ' ' ALA . 92.5 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.514 ' HB2' HG23 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.501 HH22 ' HA ' ' A' ' 25' ' ' VAL . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.6 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.455 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.6 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.516 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.415 HD22 HG22 ' A' ' 87' ' ' VAL . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.415 HG22 HD22 ' A' ' 42' ' ' ASN . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.409 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' B' ' 30' ' ' ILE . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HB2' HG11 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.509 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.439 HG12 HD13 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.737 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.44 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.509 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.549 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 94' ' ' ALA . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 92' ' ' ASN . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.533 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HD11 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' HG21 ' A' ' 38' ' ' VAL . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.501 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.608 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.42 HD12 HG12 ' B' ' 30' ' ' ILE . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.476 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG12 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.745 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.649 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.627 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.439 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.521 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 63.4 t30 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.509 ' HG2' HG12 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.598 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.497 HH22 HG12 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.429 HD21 ' HB1' ' B' ' 86' ' ' ALA . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.745 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.614 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' LYS . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.878 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.647 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.509 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.781 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' B' ' 35' ' ' LEU . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.522 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.511 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.648 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.551 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.533 HG12 HD12 ' A' ' 35' ' ' LEU . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 HE21 ' B' ' 28' ' ' GLN . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 28.6 t-20 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.69 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.494 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.69 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.424 ' HD2' HG22 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.552 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.566 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.545 HG12 HD12 ' B' ' 35' ' ' LEU . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.545 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.531 ' HB2' HG23 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.603 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 83' ' ' ASN . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 68.6 m-20 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.511 HG13 HD12 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.609 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.471 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.471 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.523 HG12 HD12 ' B' ' 35' ' ' LEU . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.523 HD12 HG12 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.539 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.469 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.8 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 HG12 HD12 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.528 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.426 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.407 HG23 HD11 ' B' ' 30' ' ' ILE . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.519 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 25' ' ' VAL . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.421 ' HB2' HG23 ' B' ' 50' ' ' ILE . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' B' ' 88' ' ' ALA . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.458 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.665 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG3' HD13 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD13 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.677 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.698 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 89' ' ' GLU . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.73 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.434 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' HIS . . . . . 0.698 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.578 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.677 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.617 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.545 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.481 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 78.0 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.429 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.699 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.438 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.438 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.521 HG12 HD12 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.521 HD12 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.502 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.699 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.422 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.51 HG21 ' HB2' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' B' ' 89' ' ' GLU . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.535 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 50' ' ' ILE . 53.4 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.436 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.458 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' GLY . . . . . 0.475 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.475 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.592 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.534 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.534 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HA ' HD13 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' SER . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HB2' HD11 ' A' ' 30' ' ' ILE . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.552 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.658 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.487 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 77' ' ' ALA . 1.8 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.422 HG12 HD12 ' B' ' 35' ' ' LEU . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.495 ' OE1' ' HD2' ' B' ' 84' ' ' PHE . 0.0 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.544 ' HA ' ' OD1' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.432 HD11 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.487 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' B' ' 46' ' ' SER . 30.2 m-80 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.495 ' HD2' ' OE1' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.469 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' HG23 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.611 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.475 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 66.0 t-80 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.486 ' HG2' HG12 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.592 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.579 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.669 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 87' ' ' VAL . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.669 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.4 HG13 ' OD1' ' A' ' 42' ' ' ASN . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.6 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 HD12 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.462 HD12 HG12 ' B' ' 30' ' ' ILE . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.56 HG23 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.83 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 80.4 mm-40 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.543 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.775 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.512 ' HG3' HG12 ' B' ' 50' ' ' ILE . 15.5 mm100 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 55' ' ' ASP . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.472 ' HA ' HD12 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.775 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 50' ' ' ILE . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.508 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.7 m-20 -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.668 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 82' ' ' PRO . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.475 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.712 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.475 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 46' ' ' SER . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' ASN . . . . . 0.712 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' HG3' ' A' ' 85' ' ' GLU . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' ASN . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.631 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.564 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 91' ' ' TYR . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.499 HG22 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.518 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.518 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.468 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.517 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.585 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.411 HD13 ' HE2' ' B' ' 84' ' ' PHE . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ARG . . . . . 0.549 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' SER . . . . . 0.585 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HD13 ' B' ' 56' ' ' LEU . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' ASN . . . . . 0.434 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.651 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.651 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.675 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.568 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.675 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.02 85.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -125.54 15.86 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 110.041 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -95.44 159.74 14.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.612 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.42 150.26 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.047 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.57 142.21 57.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.98 136.07 45.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -91.4 29.18 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 122.074 0.94 . . . . 0.0 108.782 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -113.75 43.64 1.77 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.876 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -56.32 -49.57 73.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -166.47 -56.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.491 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.642 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.457 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.642 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' B' ' 55' ' ' ASP . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.617 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.428 ' HB2' HG11 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.541 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.42 73.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.3 p -142.69 23.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -117.46 144.54 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.216 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.917 ' HG ' ' H ' ' B' ' 98' ' ' GLU . 18.8 tp -147.07 -158.77 0.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.05 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.917 ' H ' ' HG ' ' B' ' 97' ' ' LEU . 34.5 mm-40 -52.49 129.1 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -103.23 82.45 2.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 168.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.6 101.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -133.42 -66.98 0.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.821 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.35 -81.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.921 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -175.53 159.86 2.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.922 176.371 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.501 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.544 HG12 HD12 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.711 HG22 HD12 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.748 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.563 ' HB2' HG23 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.711 HD12 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.493 ' HB2' HD11 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.513 ' HA ' HE22 ' B' ' 28' ' ' GLN . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.03 3.83 54.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 p -87.95 60.74 6.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.258 0.551 . . . . 0.0 111.79 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -129.94 122.81 29.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.89 102.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.299 0.571 . . . . 0.0 110.299 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -116.2 19.31 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.272 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -67.09 -33.03 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.381 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -96.96 12.2 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.733 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -129.87 112.26 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 110.308 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -90.98 105.64 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.015 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.666 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.513 HE22 ' HA ' ' A' ' 76' ' ' ALA . 92.5 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.514 ' HB2' HG23 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.501 HH22 ' HA ' ' A' ' 25' ' ' VAL . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.6 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.455 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.6 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.516 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.25 18.37 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 16.4 p -84.59 3.85 34.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -80.63 90.67 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.87 148.38 51.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.216 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.15 137.91 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -132.87 14.17 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.669 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -85.17 87.2 7.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.199 0.523 . . . . 0.0 111.721 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -135.65 6.21 3.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.739 0.781 . . . . 0.0 108.939 172.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -148.08 164.57 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.553 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -84.54 122.59 29.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.291 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.415 HD22 HG22 ' A' ' 87' ' ' VAL . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.415 HG22 HD22 ' A' ' 42' ' ' ASN . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -173.77 -44.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -117.41 166.83 11.86 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.732 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -92.56 35.89 1.02 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt 67.79 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.49 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.0 148.54 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 0.0 111.284 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -126.33 146.91 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.292 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -80.94 129.93 34.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 110.626 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -93.21 118.38 31.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -90.5 140.98 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -97.68 2.21 49.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.369 -170.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.331 176.166 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.409 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' B' ' 30' ' ' ILE . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HB2' HG11 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.509 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.439 HG12 HD13 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.737 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.44 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.509 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . 70.51 -18.87 0.23 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 15.1 t -156.05 160.15 39.74 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' B' ' 97' ' ' LEU . 3.5 mptp? -80.53 -44.87 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 96' ' ' LYS . 7.1 mt 179.63 -48.82 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.362 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.46 150.58 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.541 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -100.09 109.31 21.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -59.73 136.32 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.586 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -86.47 124.95 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.531 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -115.75 135.72 53.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -146.42 122.49 10.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.028 179.752 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.549 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG11 ' HD2' ' A' ' 96' ' ' LYS . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 92' ' ' ASN . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.533 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HD11 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' HG21 ' A' ' 38' ' ' VAL . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -78.43 -8.99 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -101.08 134.59 43.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' HD2' HG11 ' A' ' 36' ' ' VAL . 48.3 mtpt -129.41 162.19 28.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.858 0.361 . . . . 0.0 110.684 -176.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -97.06 117.85 32.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.78 -80.36 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.293 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -101.77 -38.77 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.107 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -80.73 85.13 6.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -72.73 -55.82 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.868 -169.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.4 t60 60.68 73.91 0.47 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.671 0.748 . . . . 0.0 110.41 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -103.69 -9.16 19.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.244 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.0 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.653 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.501 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.608 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.42 HD12 HG12 ' B' ' 30' ' ' ILE . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 58.9 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.476 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -66.33 -11.6 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.7 m -82.16 89.65 6.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.825 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -120.06 115.91 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.904 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.91 96.84 7.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.189 0.518 . . . . 0.0 110.51 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.39 -173.59 2.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.483 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 m80 68.12 -72.49 0.1 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.187 0.595 . . . . 0.0 112.129 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.321 -171.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 20.8 m80 66.82 113.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.698 0.624 . . . . 0.0 111.398 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -76.72 69.76 3.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.061 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.57 -25.16 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 169.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.546 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG12 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.745 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' HB2' ' NZ ' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.649 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.627 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.439 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.614 ' OD1' ' HG3' ' A' ' 96' ' ' LYS . 2.6 t-20 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.11 24.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -98.13 -15.08 20.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.443 0.639 . . . . 0.0 109.81 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.614 ' HG3' ' OD1' ' A' ' 92' ' ' ASN . 2.0 mmmp? -72.78 165.57 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.01 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tt 65.3 100.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.954 0.784 . . . . 0.0 109.057 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.07 -170.59 1.94 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.476 0.655 . . . . 0.0 112.1 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -152.54 158.6 42.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -66.96 130.68 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.326 0.391 . . . . 0.0 111.298 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.31 90.97 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -81.4 95.38 7.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.513 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -144.99 141.92 29.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.439 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.706 178.278 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.46 ' HB ' ' HZ1' ' B' ' 96' ' ' LYS . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.509 ' HG2' HG12 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.598 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.497 HH22 HG12 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.429 HD21 ' HB1' ' B' ' 86' ' ' ALA . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.745 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 35.1 m-80 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.614 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' B' ' 95' ' ' THR . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.69 21.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 93' ' ' ASP . 16.7 m -122.32 108.1 12.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.998 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.46 ' HZ1' ' HB ' ' B' ' 36' ' ' VAL . 62.1 mttp -136.92 -51.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -105.31 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -169.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -92.6 152.23 19.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.168 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -127.09 171.05 11.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.719 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -73.22 148.89 43.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -117.6 119.39 34.85 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -114.87 104.9 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.306 0.574 . . . . 0.0 111.14 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -176.82 122.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.781 178.766 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' LYS . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.878 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.647 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.509 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.65 87.2 0.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -122.34 -60.12 1.58 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.138 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -82.96 68.9 9.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.546 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.3 -38.82 41.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -87.07 133.32 33.61 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.042 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -121.72 -22.19 5.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -146.11 104.44 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.723 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -112.73 83.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 110.16 170.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -82.74 91.56 7.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.159 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -139.69 134.8 32.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.226 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.068 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.781 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' B' ' 35' ' ' LEU . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.522 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.511 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.648 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.551 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . -76.64 77.46 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -121.59 3.46 10.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.664 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -128.2 88.7 2.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.09 -174.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.418 HD12 ' HG3' ' B' ' 98' ' ' GLU . 4.0 pp -105.19 -17.33 14.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.556 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.418 ' HG3' HD12 ' B' ' 97' ' ' LEU . 50.2 mt-10 -90.95 120.41 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.157 175.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.57 -22.81 13.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -135.7 119.77 17.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.377 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -111.73 85.73 2.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -145.03 93.71 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.79 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -115.46 -2.08 12.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.721 0.772 . . . . 0.0 108.925 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 45.6 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.565 178.351 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.533 HG12 HD12 ' A' ' 35' ' ' LEU . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 HE21 ' B' ' 28' ' ' GLN . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 28.6 t-20 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.14 76.16 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 p -100.3 -79.06 0.5 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.83 -174.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.37 90.8 6.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.359 . . . . 0.0 111.278 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.64 80.17 8.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.21 116.04 6.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.303 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -96.44 -11.68 25.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.245 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -87.06 64.95 8.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -130.3 -175.87 3.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.072 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.14 -11.91 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -89.08 110.22 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.494 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.118 -178.688 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.69 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.494 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.69 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.424 ' HD2' HG22 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.552 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.61 62.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 98.6 m -107.56 -35.42 6.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.224 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' B' ' 96' ' ' LYS . 70.0 mmtt -88.43 18.47 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.006 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.3 mt -85.75 64.63 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 98' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' B' ' 100' ' ' HIS . 44.2 mt-10 -96.01 -7.21 36.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.436 -173.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 m80 71.27 -27.69 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 176.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' B' ' 98' ' ' GLU . 33.4 m170 -66.73 92.39 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 112.21 -172.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -154.77 -84.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.912 . . . . 0.0 108.818 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -139.67 22.99 2.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -136.2 153.86 51.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.24 -172.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 p80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.947 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.98 83.12 1.78 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m 70.05 117.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.601 0.715 . . . . 0.0 111.636 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -80.39 95.54 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.8 -15.26 54.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.54 120.6 17.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.213 0.53 . . . . 0.0 110.166 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -107.61 -11.72 15.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.228 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -78.0 90.63 4.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.001 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -114.28 -71.33 0.75 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -126.75 146.39 50.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 169.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -150.2 138.94 20.79 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.742 178.282 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.566 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.545 HG12 HD12 ' B' ' 35' ' ' LEU . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.545 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.531 ' HB2' HG23 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.56 ' HA ' ' HE2' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.603 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 83' ' ' ASN . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 68.6 m-20 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.01 -15.71 20.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.85 75.92 7.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.176 0.512 . . . . 0.0 111.066 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -77.21 87.5 3.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.84 -26.59 59.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.137 -174.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 121.04 9.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -149.62 18.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.67 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.16 91.8 3.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.739 0.304 . . . . 0.0 110.385 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -116.15 -76.37 0.57 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.462 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -171.39 151.14 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -100.1 -22.15 15.31 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.266 175.127 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.511 HG13 HD12 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.609 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -77.89 2.51 17.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 m -99.43 98.11 9.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.897 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.511 ' HG2' ' HG ' ' A' ' 97' ' ' LEU . 88.1 tttt -142.35 -66.8 0.39 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.269 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.511 ' HG ' ' HG2' ' A' ' 96' ' ' LYS . 96.1 mt -136.05 176.73 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.36 148.87 49.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.69 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -142.79 21.78 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.63 -4.13 44.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.804 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -67.35 125.15 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.77 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -87.48 154.86 20.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -80.8 165.16 22.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.856 0.36 . . . . 0.0 110.803 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.617 178.347 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.471 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.471 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.523 HG12 HD12 ' B' ' 35' ' ' LEU . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.523 HD12 HG12 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 41.5 t-20 -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.539 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.469 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . -75.68 80.06 2.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m -153.02 -79.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.041 173.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 79.0 mttt 56.42 -165.7 0.13 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.556 0.535 . . . . 0.0 111.531 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt -83.44 164.38 19.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.343 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.39 148.92 23.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -126.09 138.72 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.943 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -134.98 22.12 3.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.501 0.667 . . . . 0.0 109.764 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -79.07 132.12 36.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.864 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' HIS . . . . . 0.468 ' HB3' ' H ' ' B' ' 103' ' ' HIS . 35.2 m-70 -84.06 -166.72 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' HIS . . . . . 0.468 ' H ' ' HB3' ' B' ' 102' ' ' HIS . 50.6 t60 -76.75 141.87 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.623 -166.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 79.7 m-70 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.377 170.837 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.8 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.5 HG12 HD12 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HE2' ' HA ' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.528 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.426 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.57 50.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -75.68 -26.74 57.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.316 0.579 . . . . 0.0 109.974 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.3 144.89 31.19 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.999 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.85 13.44 24.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.482 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.32 83.74 7.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.169 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -142.82 26.47 1.72 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 171.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.37 -16.14 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.653 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.5 t60 65.81 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.225 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -129.81 -179.89 5.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.495 171.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.628 0.251 . . . . 0.0 110.457 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.615 -0.707 . . . . 0.0 109.207 173.64 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.407 HG23 HD11 ' B' ' 30' ' ' ILE . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.519 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 25' ' ' VAL . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.421 ' HB2' HG23 ' B' ' 50' ' ' ILE . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.401 ' HA ' ' HA ' ' B' ' 88' ' ' ALA . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.458 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.34 50.2 1.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -56.82 -41.59 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.327 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -89.85 -86.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' B' ' 100' ' ' HIS . 0.6 OUTLIER 179.99 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.237 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 70.24 -47.94 0.63 Allowed 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.978 0.799 . . . . 0.0 112.268 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -64.54 -22.89 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.068 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 100' ' ' HIS . . . . . 0.706 ' HB2' HD13 ' B' ' 97' ' ' LEU . 38.4 t-80 -74.55 107.05 6.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.131 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.22 160.98 14.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.182 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -105.47 -45.28 4.49 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -131.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.8 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.691 175.819 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.665 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG3' HD13 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD13 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.677 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.698 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 89' ' ' GLU . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -72.12 -23.98 61.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.2 p -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -79.62 121.52 25.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.393 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.49 107.97 5.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.61 166.64 11.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.908 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -76.98 102.22 6.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.317 -176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -79.71 127.64 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.482 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -147.26 74.76 1.34 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.264 0.555 . . . . 0.0 110.63 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -114.4 131.89 56.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.565 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 20.1 t-80 -80.61 -103.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.663 -176.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.565 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 30.6 t-80 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.73 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.434 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' HIS . . . . . 0.698 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.578 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.677 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.617 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.545 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.481 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 95' ' ' THR . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -65.76 -26.34 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.438 HG22 ' HB3' ' B' ' 93' ' ' ASP . 14.6 t -71.23 163.4 27.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' B' ' 96' ' ' LYS . 4.6 ptpp? -171.36 -176.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.588 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.48 110.05 22.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -173.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.78 169.14 10.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 170.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -65.65 -26.62 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.524 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 70.2 t60 64.21 82.97 0.17 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.675 0.609 . . . . 0.0 110.699 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.33 101.66 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.189 0.519 . . . . 0.0 111.867 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -123.37 105.9 10.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.02 104.84 11.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.244 176.424 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 78.0 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.429 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.28 53.49 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.5 m -67.36 -6.09 17.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 98' ' ' GLU . 66.6 tttp -57.9 -38.86 76.59 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.6 mt 56.41 30.67 17.38 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.16 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 tm-20 -79.88 6.72 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.562 0.696 . . . . 0.0 110.313 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.92 14.31 1.85 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.732 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -117.92 13.99 14.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -122.56 4.26 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.794 -169.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -96.08 103.72 15.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 0.0 111.571 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -138.72 98.91 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.384 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.927 -0.558 . . . . 0.0 110.112 -176.933 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.699 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.438 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.438 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.521 HG12 HD12 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.521 HD12 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.502 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.699 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.422 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.51 HG21 ' HB2' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' B' ' 89' ' ' GLU . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.535 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 95' ' ' THR . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 30.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 93' ' ' ASP . 21.1 m -63.77 -40.75 97.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.338 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.27 103.13 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.972 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.8 mt -107.68 -22.26 12.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.3 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 65.69 4.79 3.01 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.091 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -81.91 69.8 8.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.339 0.59 . . . . 0.0 110.536 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -166.69 -45.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.538 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -129.13 80.69 1.98 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.275 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 92.42 3.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -123.87 137.65 54.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.883 . . . . 0.0 108.953 172.411 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 50' ' ' ILE . 53.4 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.436 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.79 46.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -2.64 54.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 111.117 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -75.4 106.4 6.92 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.59 134.87 37.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.33 146.0 29.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.312 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -79.28 88.02 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.973 0.892 . . . . 0.0 109.261 171.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -94.27 -10.11 33.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.234 -173.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -116.83 171.78 7.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.333 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -122.2 120.76 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.67 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -89.9 145.19 25.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.356 177.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.458 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' GLY . . . . . 0.475 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.475 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.424 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.78 82.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.8 p -124.54 7.88 8.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.914 -176.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.424 ' HE2' ' OD1' ' B' ' 92' ' ' ASN . 4.5 mptp? -91.88 113.18 25.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.137 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.26 111.86 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.16 145.14 43.63 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -81.38 72.01 8.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.832 0.825 . . . . 0.0 110.114 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -127.71 43.49 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.417 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -134.64 139.73 45.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.349 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.32 119.1 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.762 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -73.62 -23.02 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.32 0.581 . . . . 0.0 109.755 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.094 177.904 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.534 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.534 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HA ' HD13 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' SER . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HB2' HD11 ' A' ' 30' ' ' ILE . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.552 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 71.9 -21.14 0.23 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 m 68.04 -177.68 0.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.637 ' H ' HG22 ' A' ' 95' ' ' THR . 0.5 OUTLIER -81.25 -10.31 59.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.794 -0.566 . . . . 0.0 111.755 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mp 61.67 11.62 4.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.849 0.46 . . . . 0.0 111.509 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.636 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -100.47 91.4 4.67 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -82.97 89.55 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.686 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -79.08 -27.07 42.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.972 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -106.05 112.67 25.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.471 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -100.75 165.09 11.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.485 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.93 139.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.101 -179.423 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.658 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.487 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.436 ' HG2' ' H ' ' A' ' 77' ' ' ALA . 1.8 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.422 HG12 HD12 ' B' ' 35' ' ' LEU . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.495 ' OE1' ' HD2' ' B' ' 84' ' ' PHE . 0.0 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.544 ' HA ' ' OD1' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.432 HD11 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.487 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASN . . . . . 0.544 ' OD1' ' HA ' ' B' ' 46' ' ' SER . 30.2 m-80 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.495 ' HD2' ' OE1' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.92 95.1 1.13 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' THR . . . . . 0.749 HG23 ' HG3' ' B' ' 96' ' ' LYS . 12.2 t -154.67 -173.03 4.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.512 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' B' ' 95' ' ' THR . 29.7 mtpp 60.79 37.69 18.58 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.464 0.477 . . . . 0.0 110.425 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.44 HD22 ' H ' ' B' ' 97' ' ' LEU . 2.9 mm? -64.06 -35.24 80.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.063 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.48 92.24 1.45 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.076 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.0 112.99 19.59 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -69.79 -2.42 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.878 0.37 . . . . 0.0 111.625 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -140.43 108.44 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -88.66 149.98 23.25 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -140.18 165.01 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.248 174.373 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.469 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' HG23 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 64.87 6.99 3.64 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.9 m 70.55 125.3 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -73.25 -31.09 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.429 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.5 mt 62.31 -172.17 0.16 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.374 0.421 . . . . 0.0 111.281 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.08 -166.2 0.14 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.754 0.787 . . . . 0.0 112.545 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' A' ' 100' ' ' HIS . 20.4 m80 -131.34 -159.5 0.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.801 173.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.421 ' H ' ' HB3' ' A' ' 99' ' ' HIS . 29.8 t-80 69.25 4.81 4.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 111.023 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -96.61 7.34 46.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.17 0.51 . . . . 0.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -128.94 -67.73 0.77 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -172.95 146.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.886 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.415 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.611 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.475 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 66.0 t-80 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.486 ' HG2' HG12 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.592 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.579 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -164.46 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -160.72 123.67 3.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -88.87 113.1 24.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.274 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.91 -6.18 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.842 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -66.85 110.36 3.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.28 -23.82 20.03 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 -10.96 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 7.5 39.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -114.66 171.97 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.583 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.38 177.73 8.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 177.54 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 87' ' ' VAL . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.669 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.4 HG13 ' OD1' ' A' ' 42' ' ' ASN . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 8.83 0.92 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 p -79.49 9.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.237 0.541 . . . . 0.0 110.703 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.6 -27.5 27.07 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.2 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.04 -26.45 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.32 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.51 151.65 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 111.608 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.0 30.37 6.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.427 0.632 . . . . 0.0 109.769 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 32.4 m80 -75.07 80.51 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.341 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.16 71.66 1.02 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 111.436 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -114.03 -77.38 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 165.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -112.19 -34.79 5.82 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 157.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.692 168.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.6 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 HD12 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.462 HD12 HG12 ' B' ' 30' ' ' ILE . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.56 HG23 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.83 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 80.4 mm-40 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.83 60.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 82.21 8.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.938 0.399 . . . . 0.0 110.225 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -160.26 30.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.461 0.648 . . . . 0.0 109.682 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 49.4 tp -125.44 -10.27 6.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.688 0.756 . . . . 0.0 109.773 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -72.01 141.15 49.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.49 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -82.99 77.2 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -145.6 103.7 3.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.664 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -177.39 104.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.626 169.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -95.46 -84.2 0.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -106.69 -25.47 11.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 160.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 . . . . . 0 C--O 1.249 1.056 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.103 169.761 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.543 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.28 77.59 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 96' ' ' LYS . 12.3 t -166.29 178.92 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.535 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 95' ' ' THR . 41.6 mtpt 60.81 34.98 19.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.075 0.464 . . . . 0.0 110.947 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.29 138.68 45.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.017 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -64.47 129.6 40.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.416 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.81 121.97 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.8 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.56 17.05 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.897 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -70.87 122.54 20.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.961 0.41 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -98.98 -43.83 6.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.655 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -78.99 72.96 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.541 174.751 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.775 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.512 ' HG3' HG12 ' B' ' 50' ' ' ILE . 15.5 mm100 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 55' ' ' ASP . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.472 ' HA ' HD12 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.775 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . -78.24 33.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -109.28 -24.71 10.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -85.9 99.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -176.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -98.11 174.01 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.15 121.58 23.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -86.9 70.18 10.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -145.53 85.16 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -137.7 116.48 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.965 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.1 100.02 8.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -165.17 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 0.0 110.665 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.846 -176.939 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 50' ' ' ILE . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.508 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 45' ' ' GLN . 5.7 m-20 -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' A' ' 96' ' ' LYS . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.25 24.29 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -89.94 3.88 51.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.378 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' HE3' ' OD1' ' A' ' 92' ' ' ASN . 97.5 mttt -81.38 81.83 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.345 0.593 . . . . 0.0 111.566 -177.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.1 tt -90.17 113.97 25.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -22.48 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -80.06 72.77 6.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.358 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.0 115.32 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -86.62 69.11 10.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.166 -170.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 68.64 -66.1 0.25 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 166.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -87.92 150.46 23.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.205 0.526 . . . . 0.0 111.48 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.629 -1.177 . . . . 0.0 108.474 173.715 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.668 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 82' ' ' PRO . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.475 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.712 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.475 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 46' ' ' SER . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.712 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 71.5 5.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 19.1 m -80.53 -98.07 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' B' ' 96' ' ' LYS . 0.6 OUTLIER 50.55 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.411 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.5 tp -170.98 95.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.875 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.87 151.03 43.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.408 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 36.1 m80 55.39 39.23 31.15 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.578 0.549 . . . . 0.0 111.236 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 169.89 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.727 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -86.18 156.03 20.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.14 -12.75 61.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.278 0.561 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -128.91 117.25 20.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.599 -179.714 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 mp0 -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' HG3' ' A' ' 85' ' ' GLU . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' ASN . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -69.82 -4.63 20.96 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -72.78 -41.79 64.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.747 0.308 . . . . 0.0 111.112 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? 55.45 73.94 0.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.64 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 pt? -107.74 162.09 14.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.81 158.97 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.425 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.13 105.61 15.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -90.98 6.56 44.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.168 0.508 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -112.3 85.75 2.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -88.94 118.37 28.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.763 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -147.69 144.05 28.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.272 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.631 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.564 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 91' ' ' TYR . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.499 HG22 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.518 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.518 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.83 19.91 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -80.07 95.45 6.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.0 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LYS . . . . . 0.735 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.1 OUTLIER -93.87 -8.39 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 171.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.19 134.14 56.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.523 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.75 117.13 8.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.051 0.453 . . . . 0.0 110.794 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -96.34 90.89 5.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.327 0.584 . . . . 0.0 109.48 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -71.99 78.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.889 0.852 . . . . 0.0 111.284 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -135.35 73.28 1.47 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.787 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.95 113.84 13.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.701 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -138.48 -60.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.82 0.7 . . . . 0.0 110.547 -172.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.468 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.517 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.98 14.37 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -65.25 -25.68 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.339 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -120.43 70.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.06 111.93 24.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.13 121.81 27.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -69.13 -53.57 19.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.902 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -129.57 106.76 8.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 110.381 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.95 141.56 51.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.982 0.42 . . . . 0.0 110.379 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 2.0 p-80 -143.77 85.55 1.83 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 67.8 m80 69.85 -54.88 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -163.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 168.342 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.585 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.411 HD13 ' HE2' ' B' ' 84' ' ' PHE . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ARG . . . . . 0.549 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.585 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HD13 ' B' ' 56' ' ' LEU . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.434 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.22 63.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -75.25 -68.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.528 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -104.0 95.64 6.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.424 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -115.6 141.39 48.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -97.51 174.78 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.095 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -131.78 -17.64 2.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.708 0.289 . . . . 0.0 111.298 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.14 92.58 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 102' ' ' HIS . 56.7 t-80 -66.44 -66.38 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.938 -171.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 102' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' B' ' 101' ' ' HIS . 28.8 t-80 68.51 138.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 109.835 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.49 106.4 15.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.088 0.471 . . . . 0.0 110.932 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.153 176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.651 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.651 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.675 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.402 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.568 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.675 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.642 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.457 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.642 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' B' ' 55' ' ' ASP . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.617 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.428 ' HB2' HG11 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.541 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . 0.486 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.501 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.544 HG12 HD12 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.711 HG22 HD12 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.748 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.563 ' HB2' HG23 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.711 HD12 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.493 ' HB2' HD11 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.514 ' HB2' HG23 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.501 HH22 ' HA ' ' A' ' 25' ' ' VAL . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.6 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.455 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.6 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.516 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.415 HD22 HG22 ' A' ' 87' ' ' VAL . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.415 HG22 HD22 ' A' ' 42' ' ' ASN . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.409 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' B' ' 30' ' ' ILE . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HB2' HG11 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.509 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.439 HG12 HD13 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.737 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.44 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.509 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.549 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 94' ' ' ALA . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 92' ' ' ASN . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.558 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.533 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HD11 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' HG21 ' A' ' 38' ' ' VAL . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.501 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.608 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.42 HD12 HG12 ' B' ' 30' ' ' ILE . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.476 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG12 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.745 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.649 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.627 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.406 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.439 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.521 ' HB2' ' CG2' ' A' ' 38' ' ' VAL . 2.6 t-20 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.509 ' HG2' HG12 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.598 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.497 HH22 HG12 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.429 HD21 ' HB1' ' B' ' 86' ' ' ALA . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.745 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.614 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' LYS . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.648 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.878 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.647 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.509 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.781 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' B' ' 35' ' ' LEU . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.522 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.511 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.648 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.551 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.533 HG12 HD12 ' A' ' 35' ' ' LEU . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 HE21 ' B' ' 28' ' ' GLN . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.405 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 59.7 m-70 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.3 t30 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.486 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.69 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.494 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.69 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.424 ' HD2' HG22 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.552 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.566 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.545 HG12 HD12 ' B' ' 35' ' ' LEU . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.545 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.531 ' HB2' HG23 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.603 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 83' ' ' ASN . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 11.2 m120 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.511 HG13 HD12 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.48 ' C ' HD22 ' A' ' 42' ' ' ASN . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.48 HD22 ' C ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.609 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.471 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.471 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.523 HG12 HD12 ' B' ' 35' ' ' LEU . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.523 HD12 HG12 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . 0.478 ' C ' HD22 ' B' ' 42' ' ' ASN . 0.2 OUTLIER -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.539 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.469 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.604 HE21 HG22 ' B' ' 74' ' ' ILE . 1.2 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 HG12 HD12 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.528 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.426 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.407 HG23 HD11 ' B' ' 30' ' ' ILE . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.519 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 25' ' ' VAL . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.421 ' HB2' HG23 ' B' ' 50' ' ' ILE . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.604 HG22 HE21 ' A' ' 28' ' ' GLN . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.458 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.665 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG3' HD13 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.562 HD13 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.677 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.698 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.454 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 89' ' ' GLU . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.73 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.434 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . 0.698 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.578 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.677 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.617 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.545 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.481 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 11.8 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.489 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.429 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.699 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.438 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.438 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.521 HG12 HD12 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.521 HD12 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.502 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.699 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.422 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.51 HG21 ' HB2' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' B' ' 89' ' ' GLU . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.535 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 50' ' ' ILE . 16.5 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.436 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.43 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.458 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . 0.475 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.475 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.592 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.534 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.534 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.578 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 31.0 t60 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 87' ' ' VAL . 17.2 m120 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HA ' HD13 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.603 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' SER . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HB2' HD11 ' A' ' 30' ' ' ILE . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.546 HG22 HE21 ' B' ' 28' ' ' GLN . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG22 ' ND2' ' A' ' 42' ' ' ASN . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.552 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.658 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.487 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.546 HE21 HG22 ' A' ' 74' ' ' ILE . 1.3 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.422 HG12 HD12 ' B' ' 35' ' ' LEU . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.645 ' NE2' ' HD2' ' B' ' 84' ' ' PHE . 0.1 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.69 ' HA ' ' ND2' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.432 HD11 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.487 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.578 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . 0.69 ' ND2' ' HA ' ' B' ' 46' ' ' SER . 16.5 m120 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.645 ' HD2' ' NE2' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.469 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' HG23 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.611 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.475 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 15.2 t60 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.486 ' HG2' HG12 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.823 ' HA ' HE21 ' B' ' 49' ' ' GLN . 0.0 OUTLIER -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.592 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.579 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.669 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 87' ' ' VAL . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.669 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.4 HG13 ' OD1' ' A' ' 42' ' ' ASN . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.6 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 HD12 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.462 HD12 HG12 ' B' ' 30' ' ' ILE . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.56 HG23 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.83 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 14.4 mm100 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.543 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.775 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.512 ' HG3' HG12 ' B' ' 50' ' ' ILE . 82.5 mm-40 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 55' ' ' ASP . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.472 ' HA ' HD12 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.775 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.506 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 50' ' ' ILE . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.508 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.456 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.668 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 82' ' ' PRO . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.475 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.712 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.475 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 46' ' ' SER . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . 0.712 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 18.7 t60 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' HG3' ' A' ' 85' ' ' GLU . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' ASN . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . . . . . . 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.631 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.564 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 91' ' ' TYR . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.499 HG22 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.518 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.518 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.428 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.517 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.468 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.517 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.585 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.547 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.411 HD13 ' HE2' ' B' ' 84' ' ' PHE . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ARG . . . . . 0.549 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' SER . . . . . 0.585 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HD13 ' B' ' 56' ' ' LEU . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' ASN . . . . . 0.434 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.651 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.717 0.294 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -108.73 154.93 21.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.564 -177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.538 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 9.9 tt0 -92.4 127.1 37.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.908 0.385 . . . . 0.0 110.06 173.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.1 m -114.46 163.93 11.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.601 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.6 t -77.2 155.57 32.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.167 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.504 ' HA ' HD12 ' A' ' 30' ' ' ILE . 53.2 tttm -61.05 -30.25 70.21 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.606 -179.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -70.8 -35.99 72.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.824 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.72 -45.54 78.37 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 64.3 mt -54.55 -42.1 58.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.804 177.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -81.67 -20.97 38.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.551 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.541 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 2.1 t60 -87.9 -37.51 16.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 0.0 110.463 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -92.17 -12.9 31.55 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mptt 63.87 86.44 0.12 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.153 0.501 . . . . 0.0 111.226 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 91' ' ' TYR . 96.6 mt -104.82 137.4 42.66 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.349 177.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 61.9 t -77.54 134.38 28.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.224 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -74.66 110.43 8.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.832 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.0 t -86.07 -32.61 6.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.978 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.16 -169.98 36.86 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.342 -178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -120.86 140.89 51.15 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -126.08 130.44 72.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.02 0.438 . . . . 0.0 110.465 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -119.71 123.59 44.17 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.677 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.4 t -101.86 101.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 172.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.1 t -111.08 100.91 9.5 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -123.99 149.56 45.87 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.855 0.359 . . . . 0.0 111.206 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.1 m -90.09 33.02 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.661 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.8 168.06 44.26 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.126 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.18 -50.78 4.37 Favored Glycine 0 C--O 1.227 -0.287 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.499 178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -68.01 -33.16 74.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.386 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.3 mm -128.78 116.63 41.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.738 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 m -126.89 -38.13 2.06 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.389 0.614 . . . . 0.0 109.891 176.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.1 t -113.76 152.18 45.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.649 178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.476 ' HD3' ' CE1' ' B' ' 33' ' ' PHE . 10.8 Cg_endo -55.51 -25.7 50.59 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.361 2.04 . . . . 0.0 111.309 173.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 17.4 m -63.45 -34.88 78.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.869 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.08 -50.13 56.95 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.658 0.742 . . . . 0.0 109.006 175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -61.0 -39.56 90.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 114.618 -1.174 . . . . 0.0 111.418 -176.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -57.74 -50.33 73.57 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -65.77 -31.69 72.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.663 0.268 . . . . 0.0 110.897 -177.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.657 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 66.0 mmtt -67.46 -52.24 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.822 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.25 -44.08 97.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.056 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.651 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 24.6 t -62.89 -38.77 92.23 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.742 0.306 . . . . 0.0 110.248 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.53 -54.36 44.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.673 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.657 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 19.6 mt -64.08 -37.55 87.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.456 -176.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.14 -42.66 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.736 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -66.32 -35.65 80.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.782 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -41.42 91.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.989 177.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -78.05 -25.95 48.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.017 0.437 . . . . 0.0 111.144 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.46 40.35 1.93 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.589 177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.675 ' HA2' ' HB2' ' A' ' 92' ' ' ASN . . . -117.58 154.59 16.59 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.994 -0.622 . . . . 0.0 111.845 177.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -110.92 -13.98 14.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.124 0.488 . . . . 0.0 110.665 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -128.88 153.16 47.75 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.726 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.518 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 48.7 p90 -148.96 167.42 25.81 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 174.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 80.0 t60 -148.34 124.82 10.99 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.236 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.0 mt -74.25 114.4 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 176.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.9 pt -97.43 -23.04 4.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.864 -178.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -157.14 100.25 1.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.008 0.433 . . . . 0.0 111.345 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -97.32 84.85 3.54 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 172.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.514 ' CG ' ' HB2' ' A' ' 85' ' ' GLU . 7.4 ptp180 -97.99 138.56 35.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.445 0.64 . . . . 0.0 111.132 -171.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -110.39 99.06 8.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.058 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.402 ' CE1' ' HD3' ' A' ' 78' ' ' ARG . 15.9 m170 -102.47 81.82 2.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.696 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.22 -124.93 8.54 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.38 -0.914 . . . . 0.0 111.41 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -85.04 -11.67 7.46 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.724 2.282 . . . . 0.0 111.67 175.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -94.87 104.34 16.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.338 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -91.59 119.36 31.43 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.309 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.514 ' HB2' ' CG ' ' A' ' 78' ' ' ARG . 31.4 mt-10 -109.26 109.99 21.06 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.932 -178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.449 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -104.88 103.22 12.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.197 0.522 . . . . 0.0 109.845 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.21 115.86 39.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.554 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -127.21 153.29 46.27 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.292 178.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -115.29 143.25 45.54 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.422 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.443 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.5 t -93.29 132.63 36.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.978 -173.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.568 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 94.5 m-85 -129.44 147.16 51.23 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.168 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.675 ' HB2' ' HA2' ' A' ' 69' ' ' GLY . 60.6 t30 -157.86 159.79 37.0 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 177.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -75.09 164.27 26.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.02 85.04 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.116 0.484 . . . . 0.0 111.381 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.0 m -125.54 15.86 8.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.584 0.707 . . . . 0.0 110.041 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -95.44 159.74 14.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.612 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -147.42 150.26 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.047 179.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.57 142.21 57.26 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -104.98 136.07 45.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.865 0.364 . . . . 0.0 110.832 -176.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -91.4 29.18 1.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 122.074 0.94 . . . . 0.0 108.782 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -113.75 43.64 1.77 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.876 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -56.32 -49.57 73.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.611 -178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -166.47 -56.74 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.491 175.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.585 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.952 0 CA-C-O 121.026 0.441 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -122.91 160.99 25.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.002 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.615 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 24.7 pt20 -105.78 143.58 33.72 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.509 -0.476 . . . . 0.0 110.608 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.642 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -132.69 158.22 43.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.797 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.457 ' O ' HG13 ' B' ' 30' ' ' ILE . 17.0 m -86.33 170.97 11.56 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -58.24 -28.49 64.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.967 0.413 . . . . 0.0 110.484 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.433 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 20.4 mp0 -56.62 -48.98 76.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.637 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.642 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.7 mp0 -73.36 -43.52 60.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.344 178.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.457 HG13 ' O ' ' B' ' 26' ' ' SER . 87.2 mt -54.35 -51.78 45.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.879 -176.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 49.9 m -83.13 -9.31 59.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.348 -0.387 . . . . 0.0 112.041 -175.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -95.24 -41.55 9.0 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.476 ' CE1' ' HD3' ' A' ' 53' ' ' PRO . 86.0 m-85 -93.5 -6.44 46.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.814 0.34 . . . . 0.0 110.354 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.51 89.92 0.09 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.638 173.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -108.95 149.13 29.65 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.023 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.0 t -108.09 136.85 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.693 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -92.97 127.89 38.64 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.095 -178.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.486 ' CG2' ' HB2' ' B' ' 92' ' ' ASN . 57.1 t -88.14 -40.75 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.3 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.94 178.49 46.67 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.393 -178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 22.9 m -116.63 130.78 56.93 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.928 0.364 . . . . 0.0 110.224 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 32.9 pt -108.74 151.1 11.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.123 0.487 . . . . 0.0 110.963 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -136.17 118.84 16.03 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.569 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.441 HG22 HD12 ' B' ' 63' ' ' LEU . 38.8 t -101.36 100.89 11.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.819 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.7 m -106.05 114.08 28.01 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.638 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 49' ' ' GLN . 86.4 mm-40 -124.3 119.14 28.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.044 0.45 . . . . 0.0 110.473 -176.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 35.9 t -73.12 102.9 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.803 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.67 -145.99 21.27 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.762 -0.654 . . . . 0.0 113.112 175.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.54 41.57 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.283 -0.484 . . . . 0.0 113.184 -175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.614 ' HB3' ' HB3' ' B' ' 45' ' ' GLN . 0.0 OUTLIER -74.11 -28.22 61.25 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.524 HG23 ' HB2' ' B' ' 55' ' ' ASP . 50.0 mt -112.16 123.01 67.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.217 -0.901 . . . . 0.0 108.789 170.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -105.61 -53.86 2.58 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.056 -175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.617 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 18.4 m -121.07 168.77 10.18 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.249 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 9.2 Cg_endo -53.93 -28.54 49.71 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.763 2.309 . . . . 0.0 112.157 175.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 41.7 m -58.94 -42.45 89.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.83 176.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.524 ' HB2' HG23 ' B' ' 50' ' ' ILE . 16.5 m-20 -63.95 -48.28 77.11 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.167 0.508 . . . . 0.0 109.805 176.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 56.1 tp -56.41 -55.77 29.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.141 -177.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -64.68 -31.54 72.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.404 -177.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.28 -38.83 88.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.105 0.479 . . . . 0.0 110.638 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' B' ' 55' ' ' ASP . 22.2 mtpp -79.31 -34.13 42.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.079 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 90.5 mt -61.06 -47.54 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.782 177.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 52.2 p -66.76 -38.12 85.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.634 0.255 . . . . 0.0 110.67 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -58.42 -45.39 88.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.661 178.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.441 HD12 HG22 ' B' ' 43' ' ' VAL . 88.6 mt -78.6 -37.36 42.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.043 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.74 98.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 110.383 176.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -69.5 -28.46 66.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.392 179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.28 97.15 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.218 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.428 ' HB2' HG11 ' B' ' 90' ' ' VAL . 45.5 mmtm -67.14 -29.21 68.86 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.035 172.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.83 0.97 34.26 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.613 -0.721 . . . . 0.0 112.031 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.98 159.46 41.71 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.738 -175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.585 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 97.1 mttt -107.3 -16.42 14.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.23 0.538 . . . . 0.0 110.219 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 75.8 m-85 -129.46 163.75 25.19 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.971 -177.134 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 54.0 p90 -154.29 168.32 27.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 174.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.38 120.24 6.61 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.005 174.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' B' ' 77' ' ' ALA . 57.2 mt -70.58 113.8 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.134 178.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 pt -91.96 -28.7 4.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.84 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.26 103.47 3.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.001 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.482 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -106.16 93.03 4.4 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 175.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' B' ' 78' ' ' ARG . 13.0 ptm180 -115.82 158.78 22.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.607 0.717 . . . . 0.0 111.71 -171.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.541 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.9 tt0 -112.17 97.87 6.94 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.417 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -88.07 61.7 6.44 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.831 -175.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -119.19 6.26 Favored Glycine 0 N--CA 1.444 -0.767 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -76.57 -25.32 9.6 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.306 2.004 . . . . 0.0 111.875 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -90.03 129.0 36.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.863 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -101.9 123.84 46.51 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -117.34 112.63 20.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.152 0.501 . . . . 0.0 111.08 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.17 106.54 16.78 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.405 177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.41 123.2 49.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.249 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.96 153.66 50.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.998 -178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -101.87 134.15 45.51 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.428 HG11 ' HB2' ' B' ' 67' ' ' LYS . 57.3 t -93.89 122.26 45.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.947 -176.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.615 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 95.8 m-85 -110.54 138.17 47.28 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.387 -178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.486 ' HB2' ' CG2' ' B' ' 38' ' ' VAL . 15.0 t-20 -114.64 152.83 31.23 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.044 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.483 ' HB3' ' HD2' ' B' ' 70' ' ' LYS . 1.1 t70 -70.52 144.26 51.4 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.187 172.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.42 73.37 1.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.086 0.469 . . . . 0.0 111.909 -173.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.3 p -142.69 23.57 1.93 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -117.46 144.54 44.92 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.216 -175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.917 ' HG ' ' H ' ' B' ' 98' ' ' GLU . 18.8 tp -147.07 -158.77 0.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.05 -178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.917 ' H ' ' HG ' ' B' ' 97' ' ' LEU . 34.5 mm-40 -52.49 129.1 27.9 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -178.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -103.23 82.45 2.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 168.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -66.6 101.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.218 -173.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -133.42 -66.98 0.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.821 176.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 62.35 -81.51 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.921 -176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -175.53 159.86 2.45 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 -176.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.408 -0.806 . . . . 0.0 109.922 176.371 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -124.94 163.86 21.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.326 0.584 . . . . 0.0 112.317 -177.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -85.93 120.81 27.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.425 177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.501 ' HA ' HH22 ' B' ' 57' ' ' ARG . 27.4 m -120.01 147.18 23.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.029 0.443 . . . . 0.0 111.597 -176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.6 m -87.6 157.0 19.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 174.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.413 ' HB2' ' CE1' ' A' ' 73' ' ' HIS . 46.4 tttm -73.55 -19.91 60.78 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.288 -0.565 . . . . 0.0 110.2 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -60.71 -37.18 80.83 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 174.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -70.92 -48.13 55.31 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.462 176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.544 HG12 HD12 ' A' ' 35' ' ' LEU . 76.8 mt -57.61 -51.92 63.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.265 -0.88 . . . . 0.0 112.074 -178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.9 m -72.85 -24.22 60.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.336 -172.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 -92.75 -33.4 14.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.586 -0.445 . . . . 0.0 111.603 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -93.72 -9.36 38.0 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.953 -0.299 . . . . 0.0 111.11 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 59.3 mmtt 64.85 81.38 0.21 Allowed 'General case' 0 C--O 1.231 0.131 0 O-C-N 123.689 0.618 . . . . 0.0 112.02 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD12 HG12 ' A' ' 30' ' ' ILE . 98.7 mt -100.68 157.72 16.47 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.997 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.9 t -101.43 123.14 54.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.964 0.412 . . . . 0.0 111.342 -174.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -79.63 116.92 20.11 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.859 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.1 t -87.65 -44.34 15.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.96 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.97 -160.65 20.99 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.563 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 72.8 m -139.8 135.21 32.78 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.5 pt -113.8 144.61 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.201 0.524 . . . . 0.0 111.212 -178.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.4 p-10 -125.97 121.85 34.26 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.653 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.711 HG22 HD12 ' A' ' 63' ' ' LEU . 37.3 t -101.62 101.09 11.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.4 m -102.14 104.22 14.81 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.915 177.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.748 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 79.5 mm-40 -117.04 116.69 27.84 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.575 -178.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.7 p -87.58 107.71 18.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.08 0.467 . . . . 0.0 110.799 -178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.06 -153.02 20.44 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 121.004 -0.617 . . . . 0.0 113.19 176.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.36 54.79 4.34 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.576 -0.345 . . . . 0.0 113.692 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.748 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.8 mm100 -90.41 -39.83 12.42 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 172.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 55' ' ' ASP . 45.2 mt -122.08 122.23 66.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.534 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.7 m -121.7 -45.1 2.3 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.085 0.469 . . . . 0.0 110.378 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -104.08 161.61 22.4 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.253 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.94 -26.61 68.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.514 2.142 . . . . 0.0 111.154 173.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -58.29 -51.07 71.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.281 175.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.563 ' HB2' HG23 ' A' ' 50' ' ' ILE . 34.6 m-20 -63.23 -39.4 94.52 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.271 0.558 . . . . 0.0 109.866 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD13 ' A' ' 50' ' ' ILE . 57.1 tp -60.01 -60.03 4.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.592 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.9 mtp85 -60.97 -31.76 71.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.391 -179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.44 -55.85 26.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.784 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 5.5 tptt -62.96 -36.06 82.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.594 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 93.4 mt -63.89 -50.41 68.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.986 178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.2 p -67.39 -31.12 71.13 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.533 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.17 -56.48 21.09 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.721 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.711 HD12 HG22 ' A' ' 43' ' ' VAL . 69.2 mt -70.44 -31.85 69.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.474 -177.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.97 85.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.924 0.392 . . . . 0.0 110.627 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -74.58 -29.98 61.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.32 -35.86 80.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.904 176.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.9 mttm -77.78 -52.36 9.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.955 0.407 . . . . 0.0 110.248 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.79 54.63 0.09 OUTLIER Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.863 -0.684 . . . . 0.0 111.771 -178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -124.16 161.11 18.67 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.699 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 23.5 mtpp -110.22 -28.74 8.48 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.503 0.668 . . . . 0.0 109.821 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -127.29 135.54 50.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.258 -176.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -123.83 132.98 53.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.407 0.623 . . . . 0.0 110.957 176.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.493 ' HB2' HD11 ' A' ' 30' ' ' ILE . 11.6 t-80 -110.86 109.55 19.78 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.089 -178.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 58.5 mt -69.83 113.59 5.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.045 177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -95.15 -31.77 4.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 -179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -152.34 101.48 2.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 111.564 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -102.81 99.17 9.09 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 78' ' ' ARG . 12.1 ptm85 -130.6 170.86 13.72 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.238 0.542 . . . . 0.0 111.455 -172.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -123.94 111.46 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.786 -178.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.3 t-160 -102.3 68.23 1.07 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.175 0.512 . . . . 0.0 109.759 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.02 -126.84 9.79 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.121 -0.792 . . . . 0.0 111.121 -178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.4 -20.89 27.04 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.58 2.187 . . . . 0.0 111.246 174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.67 104.21 16.79 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.452 -178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -82.41 118.13 22.97 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -111.82 108.07 17.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.095 -171.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -109.43 103.11 11.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.645 176.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t -100.17 123.18 52.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.389 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.23 165.05 28.19 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.451 -178.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 38.1 mt-10 -102.02 155.12 18.38 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.392 179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.7 t -113.44 113.61 44.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.049 176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -117.65 144.34 45.3 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.432 0.634 . . . . 0.0 111.423 -178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -117.73 -173.42 2.43 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.996 -1.002 . . . . 0.0 108.463 176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -85.17 162.03 19.38 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -94.03 3.83 54.76 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.83 0.348 . . . . 0.0 111.445 -175.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 p -87.95 60.74 6.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.258 0.551 . . . . 0.0 111.79 -177.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -129.94 122.81 29.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.51 141.04 48.82 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.834 0.35 . . . . 0.0 110.88 -174.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -68.89 102.87 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.299 0.571 . . . . 0.0 110.299 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -116.2 19.31 14.96 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.272 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -67.09 -33.03 74.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.381 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -96.96 12.2 33.29 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.733 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -129.87 112.26 13.39 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.939 0.4 . . . . 0.0 110.308 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.8 t-80 -90.98 105.64 17.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.015 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 62.4 t-80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.368 -0.825 . . . . 0.0 109.666 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -101.28 146.02 28.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.084 0.468 . . . . 0.0 111.141 -177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -102.55 129.05 48.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.806 -176.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.29 161.32 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 78.5 p -92.01 164.4 13.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.717 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HA ' HD12 ' B' ' 30' ' ' ILE . 42.9 tptt -63.31 -28.6 70.12 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.069 0.462 . . . . 0.0 110.001 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -63.85 -42.21 97.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.05 176.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -67.93 -43.07 80.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.264 0.554 . . . . 0.0 109.759 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' B' ' 27' ' ' LYS . 67.3 mt -59.29 -34.04 52.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.026 -0.988 . . . . 0.0 110.978 178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.4 t -74.51 -44.21 52.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.682 178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -68.86 -40.61 79.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.257 -175.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -93.13 -14.92 26.61 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' B' ' 34' ' ' LYS . 31.2 mmtp 58.73 83.97 0.11 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.496 0.665 . . . . 0.0 111.751 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' B' ' 30' ' ' ILE . 84.3 mt -99.78 148.81 24.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.186 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -86.72 125.9 40.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.528 -178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.516 ' HE2' ' HB3' ' B' ' 89' ' ' GLU . 57.2 tttm -84.76 108.76 17.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 0.0 109.957 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.0 t -72.36 -43.65 64.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.994 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.39 -167.05 37.92 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.792 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 61.3 m -122.04 134.12 54.79 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.727 0.298 . . . . 0.0 110.4 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.1 pt -112.16 154.78 13.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.979 0.419 . . . . 0.0 110.352 178.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.527 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 5.9 p-10 -141.39 132.52 26.32 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.041 178.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.587 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 85.5 t -101.74 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 19.8 m -106.09 106.38 16.87 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.658 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.416 ' HG3' ' CD1' ' B' ' 50' ' ' ILE . 83.9 mm-40 -127.03 156.38 41.74 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.478 -178.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.5 m -98.63 129.64 45.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.929 176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.32 -157.22 52.71 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.994 -0.622 . . . . 0.0 113.128 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 48.87 2.16 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.3 -0.476 . . . . 0.0 112.934 -174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -71.29 -20.58 62.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.465 0.65 . . . . 0.0 109.617 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.514 HG23 ' HB2' ' B' ' 55' ' ' ASP . 2.1 mp -112.03 104.07 16.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -97.88 -34.72 10.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.799 -175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 67.7 p -119.02 161.18 37.79 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.589 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -56.98 -27.72 74.69 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.273 1.982 . . . . 0.0 111.182 172.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 20.2 m -63.27 -42.54 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.594 176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.514 ' HB2' HG23 ' B' ' 50' ' ' ILE . 37.6 m-20 -60.01 -45.2 93.56 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.403 0.62 . . . . 0.0 109.948 176.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.523 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 39.1 tp -62.39 -53.17 58.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.927 -177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.501 HH22 ' HA ' ' A' ' 25' ' ' VAL . 53.1 mtt180 -68.41 -23.2 64.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.381 -176.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.07 -49.83 75.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.547 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 5.6 mptp? -70.68 -34.56 72.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.329 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.7 mt -58.77 -47.82 83.38 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.5 178.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 50.5 m -67.48 -39.38 85.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.068 0.461 . . . . 0.0 110.268 176.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -57.15 -53.19 60.94 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.309 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 35.7 mt -74.22 -32.25 62.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.073 -175.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.23 -39.59 89.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.042 0.448 . . . . 0.0 110.298 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -64.18 -39.44 94.0 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.537 176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.88 97.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.856 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 49.5 mmtm -68.75 -50.81 47.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.148 0.499 . . . . 0.0 110.528 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.35 43.19 0.48 Allowed Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.593 -0.731 . . . . 0.0 111.715 -177.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.415 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -118.23 162.55 13.16 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.443 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -106.11 -40.71 5.57 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.284 0.564 . . . . 0.0 110.499 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -118.85 150.29 40.1 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.736 -177.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -133.56 158.57 42.84 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.042 0.449 . . . . 0.0 110.674 178.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -138.15 114.53 10.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.278 177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 57.2 mt -69.73 123.46 23.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.106 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -108.22 -25.41 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.617 0.246 . . . . 0.0 111.304 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.495 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.76 83.72 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.732 -179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.68 90.41 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.603 -0.888 . . . . 0.0 108.603 170.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -123.14 164.95 17.69 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.226 0.536 . . . . 0.0 111.33 -169.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -103.21 144.53 31.21 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.595 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.6 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 14.8 t-160 -119.89 51.49 1.18 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 -174.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.455 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.25 -111.51 3.44 Favored Glycine 0 N--CA 1.447 -0.583 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 -176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.455 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.1 Cg_exo -82.82 -4.7 11.42 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 123.143 2.562 . . . . 0.0 111.506 172.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 47.6 m-80 -111.36 173.72 6.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.295 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -133.69 138.25 45.74 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.6 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 60.0 mm-40 -127.55 109.79 12.07 Favored 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.228 0.33 . . . . 0.0 110.336 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.587 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.48 103.19 12.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.719 0.295 . . . . 0.0 110.79 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 33.5 t -97.42 123.53 49.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.32 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.81 159.26 42.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.154 -178.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.516 ' HB3' ' HE2' ' B' ' 37' ' ' LYS . 31.0 mt-10 -101.76 144.39 30.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.814 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.415 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 60.6 t -110.23 128.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.536 0.208 . . . . 0.0 110.601 179.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.552 ' CE1' HD13 ' B' ' 30' ' ' ILE . 96.8 m-85 -126.39 150.02 48.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.335 0.588 . . . . 0.0 112.002 -177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -133.1 178.81 6.6 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 174.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -76.65 157.72 31.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.857 0.361 . . . . 0.0 110.879 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.25 18.37 2.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.859 -173.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 16.4 p -84.59 3.85 34.9 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.967 0.413 . . . . 0.0 111.431 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.774 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -80.63 90.67 5.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 -177.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 94.4 mt -133.87 148.38 51.26 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.216 178.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.15 137.91 33.57 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 178.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -132.87 14.17 4.34 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.068 0.461 . . . . 0.0 110.669 -174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 54.3 m80 -85.17 87.2 7.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.199 0.523 . . . . 0.0 111.721 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 -135.65 6.21 3.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.739 0.781 . . . . 0.0 108.939 172.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -148.08 164.57 33.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.553 178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -84.54 122.59 29.23 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.291 -177.147 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.548 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 38.3 mt-10 -104.57 154.41 19.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.297 0.57 . . . . 0.0 111.333 -175.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -100.13 123.41 44.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.435 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.38 143.98 25.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.529 0.68 . . . . 0.0 112.461 -175.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.2 m -81.7 159.98 23.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.845 -1.07 . . . . 0.0 109.737 176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.434 ' HG2' ' OE1' ' A' ' 28' ' ' GLN . 64.7 pttt -63.51 -27.39 69.23 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.92 0.391 . . . . 0.0 110.101 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' OE1' ' HG2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -65.2 -41.27 94.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.214 176.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.2 -44.77 82.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.041 0.448 . . . . 0.0 110.028 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.514 HD11 ' HB2' ' A' ' 73' ' ' HIS . 77.2 mt -56.6 -45.65 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.601 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.9 t -80.3 -37.63 32.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.737 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 8.8 t60 -69.05 -41.09 78.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.504 0.193 . . . . 0.0 111.137 -174.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -93.73 -17.87 22.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.754 0.312 . . . . 0.0 110.258 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 65.48 85.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.748 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 HG12 ' A' ' 30' ' ' ILE . 86.8 mt -93.31 165.53 12.74 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.634 -178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -107.9 123.26 63.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.466 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -82.95 133.97 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.087 0.47 . . . . 0.0 110.906 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -93.3 -44.52 13.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.18 177.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.89 -170.44 41.51 Favored Glycine 0 N--CA 1.451 -0.305 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.2 m -120.1 132.32 55.38 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 117.085 0.443 . . . . 0.0 110.356 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.5 pt -114.41 155.07 15.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.303 0.573 . . . . 0.0 111.621 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.415 HD22 HG22 ' A' ' 87' ' ' VAL . 24.7 t-20 -135.69 119.11 16.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.185 -0.916 . . . . 0.0 109.576 178.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 67.3 t -101.39 101.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 176.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.9 t -114.09 97.43 6.36 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 -120.42 157.01 30.23 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.955 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.8 t -82.53 46.13 1.03 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.125 0.488 . . . . 0.0 110.974 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.18 -50.15 3.91 Favored Glycine 0 CA--C 1.519 0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 113.844 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -54.29 -27.57 40.26 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.899 0.72 . . . . 0.0 114.899 -172.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -93.07 -1.65 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 117.8 0.8 . . . . 0.0 112.077 -176.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.0 mp -130.46 86.67 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.4 m -92.34 -24.31 18.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.442 ' HB3' ' HD2' ' A' ' 53' ' ' PRO . 70.5 m -149.16 168.36 11.15 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.845 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' HD2' ' HB3' ' A' ' 52' ' ' SER . 53.8 Cg_exo -54.32 -24.16 33.48 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.88 2.387 . . . . 0.0 112.98 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.8 p -63.12 -55.17 27.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 177.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -55.62 -42.21 74.59 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.227 0.537 . . . . 0.0 110.41 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.3 tp -52.57 -56.72 13.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.387 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -74.83 -22.76 58.52 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.22 -174.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.45 -46.36 66.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.809 175.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 54.7 mmtt -64.37 -37.43 87.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.55 -42.19 92.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.907 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.634 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 18.9 p -76.41 -30.98 57.66 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 121.006 -0.278 . . . . 0.0 110.721 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.13 -54.66 37.98 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.694 176.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 39.9 mt -65.98 -31.02 71.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.677 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.98 -47.54 74.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -59.69 -46.26 89.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.634 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.79 84.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.23 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 67' ' ' LYS . 68.5 mmtt -69.71 -30.35 67.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.039 177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 116.24 32.95 1.56 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.823 176.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.81 162.1 21.71 Favored Glycine 0 N--CA 1.446 -0.633 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -120.44 6.38 10.63 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.223 0.535 . . . . 0.0 110.239 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 23' ' ' GLU . 96.6 m-85 -136.81 148.95 47.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.511 178.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -138.98 142.45 38.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.341 0.591 . . . . 0.0 111.415 178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.514 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.0 t-80 -115.65 104.96 12.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.233 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.7 mt -68.62 128.66 32.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 177.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.0 pt -113.56 -29.75 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.009 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.51 115.19 2.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.952 0.406 . . . . 0.0 111.701 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -110.42 80.66 1.33 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 173.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 7.8 ptp85 -96.92 145.13 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.605 0.717 . . . . 0.0 111.97 -170.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -86.31 133.11 33.83 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 114.854 -1.066 . . . . 0.0 109.497 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -125.15 59.59 1.24 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.29 -122.9 7.55 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -176.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.17 -21.15 14.0 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.38 2.053 . . . . 0.0 111.108 173.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -87.66 160.75 18.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.314 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -135.63 132.18 36.72 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.638 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 42.1 mt-10 -116.44 109.76 17.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.977 0.417 . . . . 0.0 111.013 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.518 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.18 107.44 18.42 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.992 177.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.415 HG22 HD22 ' A' ' 42' ' ' ASN . 5.2 t -100.86 125.75 54.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.26 -178.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -143.15 157.86 44.14 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 -178.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -101.77 138.71 38.39 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.847 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 55.4 t -90.41 124.31 42.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.326 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -124.32 147.64 48.01 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.184 0.516 . . . . 0.0 110.662 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -116.37 169.65 9.15 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 173.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -55.24 -67.14 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.482 0.489 . . . . 0.0 111.321 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -173.77 -44.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.33 0.586 . . . . 0.0 110.079 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.0 t -117.41 166.83 11.86 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.732 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -92.56 35.89 1.02 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 -178.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 87.3 mt 67.79 -79.19 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.49 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -135.0 148.54 50.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.024 0.44 . . . . 0.0 111.284 -176.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -126.33 146.91 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.292 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -80.94 129.93 34.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.807 0.337 . . . . 0.0 110.626 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -93.21 118.38 31.18 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.926 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -90.5 140.98 29.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -97.68 2.21 49.48 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.369 -170.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 69.1 t60 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.656 -0.687 . . . . 0.0 110.331 176.166 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -101.84 148.42 25.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.284 -174.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.402 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 6.1 tt0 -110.83 139.7 45.91 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.511 177.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 15.9 m -138.12 167.11 22.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.588 176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.409 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 11.7 p -101.12 175.06 5.72 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.4 ' HA ' HD12 ' B' ' 30' ' ' ILE . 57.9 pttt -60.51 -15.59 28.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -175.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -71.98 -47.13 54.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.503 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.4 mp0 -74.13 -37.81 63.96 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.536 HG23 ' HB2' ' B' ' 35' ' ' LEU . 98.9 mt -56.29 -45.06 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.293 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.7 t -81.55 -27.97 34.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.682 0.277 . . . . 0.0 110.765 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 22.3 t60 -68.39 -45.18 73.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.764 0.316 . . . . 0.0 110.739 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -92.55 -11.92 33.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.808 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? 64.08 81.15 0.21 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.011 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.536 ' HB2' HG23 ' B' ' 30' ' ' ILE . 88.7 mt -96.77 154.58 17.2 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.634 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.508 HG23 ' HA ' ' B' ' 94' ' ' ALA . 90.0 t -103.26 128.08 56.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.593 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -82.51 115.39 21.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 22.3 t -81.34 -46.29 20.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.212 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.36 173.86 45.78 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.846 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 25.8 m -107.71 126.42 52.58 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.426 HD12 ' HB2' ' B' ' 63' ' ' LEU . 28.4 pt -110.21 150.58 12.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.807 0.337 . . . . 0.0 111.114 -176.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -136.76 126.82 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.575 176.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.477 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 47.7 t -101.09 103.4 14.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.051 177.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 22.6 t -107.65 115.84 30.87 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -128.07 148.56 50.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.916 0.389 . . . . 0.0 111.178 -177.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.5 m -91.96 106.87 18.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.678 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.5 -160.71 38.13 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.606 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.65 60.84 4.32 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.132 -0.556 . . . . 0.0 113.112 -176.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -76.29 -36.09 58.53 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.183 0.516 . . . . 0.0 109.81 173.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.469 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.2 mp -83.69 98.7 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 171.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.7 p -83.56 -21.92 32.51 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.071 -173.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.1 p -143.24 156.7 61.04 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.699 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.411 ' O ' ' HG3' ' B' ' 57' ' ' ARG . 49.5 Cg_exo -56.65 -30.65 84.46 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.459 2.106 . . . . 0.0 111.581 174.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.531 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 22.0 t -67.28 -48.67 66.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -54.93 -40.78 70.25 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.064 0.459 . . . . 0.0 110.551 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.469 ' HB2' HG21 ' B' ' 50' ' ' ILE . 62.9 tp -55.86 -49.81 72.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.904 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' B' ' 53' ' ' PRO . 37.1 mtt180 -71.69 -32.34 67.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.686 -178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' B' ' 54' ' ' SER . 40.0 mm-40 -63.15 -42.03 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.741 178.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.461 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 34.6 mmtt -63.4 -43.42 97.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.738 0.304 . . . . 0.0 111.027 177.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.439 HD13 HG12 ' B' ' 74' ' ' ILE . 95.6 mt -64.33 -38.83 92.43 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.3 177.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 70.6 m -65.76 -40.34 91.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -59.04 -52.21 66.73 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.475 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 45.2 mt -67.76 -34.74 77.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.788 -177.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.91 -50.19 67.49 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.813 0.339 . . . . 0.0 110.946 179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -64.87 -36.21 83.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.202 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.16 -39.22 91.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.893 176.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.518 ' HB2' HG11 ' B' ' 90' ' ' VAL . 72.5 mmtt -65.71 -40.96 92.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.03 0.443 . . . . 0.0 110.322 175.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.0 23.4 1.8 Allowed Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.751 -0.659 . . . . 0.0 112.144 -179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -121.51 148.54 17.31 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.849 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -103.25 -6.31 22.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.284 0.564 . . . . 0.0 110.175 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.509 ' HE2' ' HB2' ' B' ' 93' ' ' ASP . 26.5 m-85 -124.46 151.52 44.44 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.168 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 50.6 p90 -142.91 168.24 20.18 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.02 0.438 . . . . 0.0 110.211 174.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -143.57 108.17 4.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.925 179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.439 HG12 HD13 ' B' ' 60' ' ' LEU . 20.7 mt -72.24 119.24 18.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.3 pt -95.05 -34.74 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.195 -178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.79 122.48 3.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.918 0.389 . . . . 0.0 111.319 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -115.92 94.48 4.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -102.09 155.97 17.85 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.337 0.589 . . . . 0.0 111.333 -172.69 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.737 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 32.2 tt0 -120.01 93.78 4.17 Favored 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 114.961 -1.018 . . . . 0.0 108.591 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -96.7 83.58 3.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.644 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -127.08 10.18 Favored Glycine 0 N--CA 1.446 -0.689 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -87.83 1.01 6.95 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.68 2.253 . . . . 0.0 111.802 174.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -107.12 104.37 14.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.976 0.417 . . . . 0.0 110.894 -178.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.434 ' O ' ' HA ' ' B' ' 44' ' ' SER . 63.6 t80 -90.97 135.86 33.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.933 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 50.6 mt-10 -132.66 115.47 15.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.945 0.403 . . . . 0.0 111.248 -178.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.44 ' HB2' HD11 ' B' ' 56' ' ' LEU . . . -105.77 110.91 23.38 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.344 176.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -104.81 129.75 56.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.727 -177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -140.61 158.52 43.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.027 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.78 131.59 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 177.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.518 HG11 ' HB2' ' B' ' 67' ' ' LYS . 58.8 t -90.55 129.77 40.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.788 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -124.65 136.38 53.87 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.641 0.734 . . . . 0.0 112.131 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -103.88 154.47 19.58 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.86 -1.063 . . . . 0.0 109.296 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.509 ' HB2' ' HE2' ' B' ' 71' ' ' TYR . 8.1 t70 -81.37 45.27 0.85 Allowed 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.729 -176.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.508 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . 70.51 -18.87 0.23 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.759 0.824 . . . . 0.0 113.006 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 15.1 t -156.05 160.15 39.74 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' B' ' 97' ' ' LEU . 3.5 mptp? -80.53 -44.87 18.38 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' B' ' 96' ' ' LYS . 7.1 mt 179.63 -48.82 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 114.922 -1.036 . . . . 0.0 109.362 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -144.46 150.58 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.541 -176.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -100.09 109.31 21.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 169.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 58.5 m-70 -59.73 136.32 57.96 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.586 -169.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -86.47 124.95 33.36 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.531 177.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -115.75 135.72 53.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.828 0.347 . . . . 0.0 110.614 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -146.42 122.49 10.76 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.831 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.43 -0.795 . . . . 0.0 110.028 179.752 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -147.53 163.88 35.16 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.462 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 15.4 pt20 -105.49 144.75 31.82 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.497 0.665 . . . . 0.0 112.347 -174.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -132.49 165.41 32.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.227 173.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 23.2 t -92.4 167.34 12.05 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 118.433 0.56 . . . . 0.0 109.612 -177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' HA ' ' HB ' ' A' ' 30' ' ' ILE . 61.5 tttp -66.06 -15.92 63.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.287 0.565 . . . . 0.0 109.738 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -62.3 -46.27 89.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.245 -0.888 . . . . 0.0 110.315 174.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.3 mp0 -76.96 -42.64 38.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.863 176.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.549 ' HB ' ' HA ' ' A' ' 27' ' ' LYS . 96.8 mt -51.99 -49.38 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.711 -178.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.2 m -68.32 -42.31 79.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.15 -177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -67.74 -33.46 74.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.556 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -101.59 -4.78 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.085 -0.246 . . . . 0.0 111.455 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 57.65 61.77 2.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.123 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD12 HG12 ' A' ' 30' ' ' ILE . 78.4 mt -71.57 145.18 49.21 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.406 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG11 ' HD2' ' A' ' 96' ' ' LYS . 62.1 t -91.48 118.15 36.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.38 -173.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -73.37 124.62 26.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.099 0.476 . . . . 0.0 110.553 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.416 HG21 ' HB2' ' A' ' 92' ' ' ASN . 48.2 t -103.01 -33.5 3.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.0 -177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.6 -171.85 44.92 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.3 m -124.11 142.11 51.48 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.918 0.359 . . . . 0.0 110.492 -177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.491 HG13 ' HB3' ' A' ' 88' ' ' ALA . 24.7 pt -124.29 136.79 59.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.862 0.363 . . . . 0.0 110.141 176.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -124.84 131.07 53.48 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.33 0.586 . . . . 0.0 110.595 179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 92.2 t -101.34 102.47 13.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.122 177.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 14.7 m -114.69 101.54 9.18 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.394 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG3' HG12 ' A' ' 50' ' ' ILE . 61.6 mm-40 -99.97 156.88 16.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.144 0.497 . . . . 0.0 111.62 -174.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -103.0 7.9 39.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.235 -178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.51 -130.67 2.51 Favored Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.284 -0.96 . . . . 0.0 113.092 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.57 51.92 4.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.498 -0.382 . . . . 0.0 113.923 -170.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -96.46 -21.59 17.64 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 172.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.558 HG12 ' HG3' ' A' ' 45' ' ' GLN . 49.2 mm -116.79 101.73 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.417 -0.81 . . . . 0.0 108.928 173.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 t -109.32 -46.58 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.952 0.406 . . . . 0.0 110.413 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -113.31 164.38 15.82 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -55.28 -28.62 63.21 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.318 2.012 . . . . 0.0 111.576 174.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.5 m -60.03 -48.47 81.58 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.866 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -61.07 -44.29 97.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.965 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.505 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.8 tp -58.9 -51.19 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.579 178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.5 ttp85 -61.83 -41.75 98.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.254 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.91 -46.77 87.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.945 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -65.05 -38.83 92.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 110.409 -177.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 HD11 ' A' ' 74' ' ' ILE . 94.9 mt -64.03 -45.27 89.64 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.6 176.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.533 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 29.3 t -65.49 -36.62 84.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.385 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -61.57 -49.31 77.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.722 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.0 -35.16 74.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.05 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.88 -38.96 92.99 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 110.599 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -66.3 -37.49 85.52 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.441 176.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.96 85.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.6 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -85.08 -36.48 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.061 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.52 58.7 0.57 Allowed Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.635 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -143.23 147.07 18.32 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.65 -0.58 . . . . 0.0 111.65 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -86.8 -31.32 20.93 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.158 0.504 . . . . 0.0 110.583 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 10.7 m-85 -117.05 154.75 30.43 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.842 -174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 24' ' ' GLN . 42.2 p90 -155.3 165.47 36.55 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -151.34 131.61 13.63 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.646 173.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.505 HD11 HD11 ' A' ' 60' ' ' LEU . 62.3 mt -67.03 109.73 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 173.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.5 pt -89.26 -23.4 6.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.921 -178.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.99 136.09 7.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.555 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -155.24 148.93 25.34 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.52 0.2 . . . . 0.0 110.794 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.67 158.08 36.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.225 175.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 33.4 tt0 -104.87 102.38 11.92 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 37.4 t60 -104.25 75.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.268 0.556 . . . . 0.0 109.682 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.07 -128.83 11.14 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.516 -0.849 . . . . 0.0 111.244 -178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.88 -17.64 17.52 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.742 2.295 . . . . 0.0 111.347 174.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -88.54 104.57 16.95 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.952 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' A' ' 44' ' ' SER . 79.8 t80 -92.36 115.32 27.99 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.036 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -109.87 108.77 19.19 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 123.297 0.373 . . . . 0.0 110.496 -178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -119.39 111.2 17.86 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.464 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.31 118.88 46.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.289 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' HB3' HG13 ' A' ' 41' ' ' ILE . . . -121.69 147.35 46.01 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.933 -179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -101.63 132.79 47.11 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.2 t -94.9 128.5 46.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.882 0.373 . . . . 0.0 111.336 -174.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.42 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 97.2 m-85 -126.23 147.85 49.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.677 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.416 ' HB2' HG21 ' A' ' 38' ' ' VAL . 10.4 t-20 -121.53 -176.21 3.26 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -68.42 165.0 19.76 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -78.43 -8.99 59.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.732 0.301 . . . . 0.0 111.453 -175.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.5 t -101.08 134.59 43.86 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' HD2' HG11 ' A' ' 36' ' ' VAL . 48.3 mtpt -129.41 162.19 28.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.858 0.361 . . . . 0.0 110.684 -176.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -97.06 117.85 32.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -79.78 -80.36 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.293 -175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -101.77 -38.77 7.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.112 0.482 . . . . 0.0 110.107 -177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -80.73 85.13 6.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -72.73 -55.82 6.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.868 -169.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.4 t60 60.68 73.91 0.47 Allowed 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 121.671 0.748 . . . . 0.0 110.41 -175.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -103.69 -9.16 19.36 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.244 176.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.0 t60 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.376 -0.821 . . . . 0.0 109.653 -179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.949 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -106.11 156.47 18.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.22 0.533 . . . . 0.0 111.209 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -89.76 131.34 35.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.621 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.8 m -126.96 157.62 38.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.13 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.501 ' H ' ' CD ' ' B' ' 29' ' ' GLU . 19.4 m -107.48 177.36 4.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.517 178.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -57.02 -31.66 65.36 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.401 -178.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.608 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 1.7 mp0 -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.746 -179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.9 mp0 -74.73 -37.45 62.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.969 0.414 . . . . 0.0 110.589 -177.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.43 HG13 ' O ' ' B' ' 26' ' ' SER . 77.5 mt -60.5 -55.41 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.399 -178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 70.9 m -76.23 -17.7 59.38 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . 0.608 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 2.6 t60 -78.06 -41.64 34.84 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.703 -177.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -107.93 -0.1 21.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.45 -176.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 55.81 70.75 0.61 Allowed 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.387 0.43 . . . . 0.0 110.817 -177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.42 HD12 HG12 ' B' ' 30' ' ' ILE . 86.0 mt -71.66 144.45 49.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.887 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' B' ' 94' ' ' ALA . 82.0 t -93.43 116.93 35.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.679 -177.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -79.67 104.02 9.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.061 0.458 . . . . 0.0 110.349 -179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 42.9 t -76.09 -32.43 22.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.698 -177.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -179.99 -173.28 44.83 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.754 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.0 m -126.18 143.49 51.11 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.048 -0.352 . . . . 0.0 110.048 178.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 26.9 pt -130.96 146.52 33.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.772 0.32 . . . . 0.0 110.416 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.573 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 3.8 p-10 -141.65 126.91 18.6 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.347 0.594 . . . . 0.0 109.587 175.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -101.73 117.17 46.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.803 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.478 ' HA ' ' O ' ' B' ' 84' ' ' PHE . 14.9 t -109.24 115.59 30.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.4 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -131.19 151.73 51.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.252 -177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 16.7 m -85.06 6.23 26.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.84 179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 100.18 -177.98 29.02 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -175.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.99 -64.06 2.37 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.987 -0.625 . . . . 0.0 112.665 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -66.24 -24.21 66.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.353 0.597 . . . . 0.0 109.812 178.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.476 HD11 ' HG3' ' B' ' 59' ' ' LYS . 50.5 mm -114.27 98.25 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 46.4 t -118.31 -49.83 2.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.079 0.466 . . . . 0.0 110.359 -178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.9 m -107.14 159.82 28.67 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_endo -58.1 -25.2 70.02 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.524 2.149 . . . . 0.0 111.637 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -65.25 -41.55 94.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.574 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.543 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 62.0 m-20 -61.91 -51.49 67.93 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.188 0.518 . . . . 0.0 109.611 177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.2 tp -56.72 -41.81 78.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.781 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.451 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 23.6 ttt85 -65.12 -41.16 95.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.786 -178.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.79 -48.79 80.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.48 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.543 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 24.2 mmmt -61.96 -46.3 89.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 95.6 mt -68.55 -40.13 80.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.922 -178.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.612 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 47.5 t -61.64 -45.36 94.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.596 179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -62.47 -49.9 73.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.931 -178.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -66.21 -38.74 88.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.645 -176.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.7 89.42 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.733 0.301 . . . . 0.0 111.187 -178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.64 -31.06 70.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.638 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.03 -40.95 78.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.104 178.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -63.68 -40.8 97.72 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.84 30.53 0.88 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.268 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.65 164.11 15.78 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.805 -0.712 . . . . 0.0 111.78 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -118.58 -12.43 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.892 0.377 . . . . 0.0 111.085 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 9.4 m-85 -124.64 153.3 42.47 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 52.1 p90 -140.72 142.13 34.86 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.3 0.572 . . . . 0.0 110.847 174.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -118.16 105.02 11.37 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.933 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.467 HG21 ' HB2' ' B' ' 77' ' ' ALA . 37.8 mt -71.08 106.24 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.779 0.323 . . . . 0.0 110.542 -179.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 12.8 pt -90.79 -22.07 6.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -148.62 91.6 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.783 0.325 . . . . 0.0 111.616 -179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.467 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -98.3 82.17 2.87 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 170.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.01 167.16 15.12 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.527 0.68 . . . . 0.0 111.951 -166.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -114.61 116.8 29.33 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 22.1 t-160 -108.47 70.38 0.75 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.24 -124.95 8.53 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.275 -0.73 . . . . 0.0 111.275 -177.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -84.16 4.69 6.77 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.563 2.176 . . . . 0.0 111.536 174.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.4 m-80 -113.03 109.23 18.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.74 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' B' ' 44' ' ' SER . 79.5 t80 -80.57 126.92 31.85 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -114.96 109.82 18.7 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 123.251 0.344 . . . . 0.0 110.75 -176.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.573 ' O ' ' HA ' ' B' ' 42' ' ' ASN . . . -107.55 102.74 11.98 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.123 174.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 20.6 t -103.75 123.28 57.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.165 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.62 155.55 50.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.811 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.6 mt-10 -101.72 129.75 47.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.255 178.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.84 117.03 30.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.311 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.493 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 70.7 m-85 -116.78 146.22 42.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.364 0.602 . . . . 0.0 111.359 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -133.82 179.62 6.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 170.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -80.94 169.92 16.92 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.413 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -66.33 -11.6 51.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.178 0.513 . . . . 0.0 110.936 179.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.7 m -82.16 89.65 6.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.825 176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 2.1 tmtp? -120.06 115.91 24.65 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.904 -174.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -80.91 96.84 7.18 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.189 0.518 . . . . 0.0 110.51 177.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.39 -173.59 2.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.483 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 27.4 m80 68.12 -72.49 0.1 Allowed 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.187 0.595 . . . . 0.0 112.129 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -67.55 -38.45 84.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.321 -171.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 20.8 m80 66.82 113.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.698 0.624 . . . . 0.0 111.398 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -76.72 69.76 3.13 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.061 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -97.57 -25.16 15.24 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 169.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 36.5 m80 . . . . . 0 C--O 1.249 1.066 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.546 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.748 0.308 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -99.63 150.23 22.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.003 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 8.3 tt0 -86.67 123.58 32.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.18 176.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG12 HH22 ' B' ' 57' ' ' ARG . 11.2 m -105.92 136.0 41.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.927 179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 14.2 t -92.45 168.28 11.39 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.15 178.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt -56.95 -44.31 82.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.677 -177.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 25.3 mp0 -68.93 -23.43 64.16 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.295 -175.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -81.13 -47.75 13.06 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.05 0.452 . . . . 0.0 109.898 177.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' A' ' 35' ' ' LEU . 82.4 mt -56.36 -46.61 81.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.483 -0.781 . . . . 0.0 111.428 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -77.35 -20.93 54.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.897 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.745 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 4.2 t60 -80.56 -40.92 25.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 110.528 -176.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -99.34 -12.12 20.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.365 -177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.485 ' NZ ' ' HB2' ' A' ' 34' ' ' LYS . 0.1 OUTLIER 63.53 76.78 0.35 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.525 -177.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' A' ' 30' ' ' ILE . 91.3 mt -81.09 155.73 26.14 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.233 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.5 t -95.56 112.3 27.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.17 -177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -78.27 126.28 30.56 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.018 0.437 . . . . 0.0 110.793 -177.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.521 ' CG2' ' HB2' ' A' ' 92' ' ' ASN . 12.2 t -92.25 -42.91 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.244 -178.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 179.98 -165.06 33.26 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.937 -0.649 . . . . 0.0 111.716 -179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -133.17 122.51 24.13 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.0 pt -100.95 153.28 4.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -138.58 127.01 23.1 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.329 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.649 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 47.5 t -101.72 100.74 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.719 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 171.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.5 t -87.33 91.45 8.73 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.534 ' HG2' HG13 ' A' ' 50' ' ' ILE . 1.0 OUTLIER -109.38 -179.22 3.77 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.379 -1.282 . . . . 0.0 109.109 -172.076 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 15.4 m -123.43 153.88 39.83 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.94 105.26 0.81 Allowed Glycine 0 C--N 1.331 0.286 0 O-C-N 123.397 0.435 . . . . 0.0 112.79 -178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.98 -47.24 0.76 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -65.6 -62.85 1.28 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.534 HG13 ' HG2' ' A' ' 45' ' ' GLN . 22.8 mt -89.35 112.71 24.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.44 0.638 . . . . 0.0 109.697 173.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -133.02 -35.21 1.06 Allowed 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 114.879 -1.055 . . . . 0.0 110.151 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.7 p -99.95 152.42 37.81 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.102 177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.627 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 32.3 Cg_exo -59.86 -32.6 95.56 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.304 2.002 . . . . 0.0 111.347 175.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -60.22 -48.66 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.129 178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -62.62 -38.68 91.16 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.329 0.585 . . . . 0.0 109.807 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -59.87 -51.89 67.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.89 177.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.627 ' HG3' ' O ' ' A' ' 53' ' ' PRO . 47.1 mtt-85 -64.55 -32.34 73.94 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.358 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -58.74 -55.9 29.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.388 178.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -62.59 -37.7 87.26 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.53 -46.41 72.88 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.052 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 25.6 t -68.72 -30.8 69.52 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 177.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -62.44 -51.93 65.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.515 177.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 79.2 mt -72.21 -32.07 66.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.024 -179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.85 97.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.05 0.452 . . . . 0.0 109.945 175.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -64.27 -38.25 90.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.684 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.97 -29.83 70.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.427 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 69.0 mmtt -85.89 -35.14 20.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.96 0.409 . . . . 0.0 110.157 176.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.7 33.37 2.67 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.27 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.29 153.89 16.83 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.124 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -101.78 -21.7 14.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.276 0.56 . . . . 0.0 110.557 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.406 ' HB3' HG13 ' A' ' 25' ' ' VAL . 51.2 m-85 -128.03 147.43 50.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.875 -175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.519 ' HA ' ' O ' ' A' ' 89' ' ' GLU . 41.6 p90 -140.36 146.55 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.919 0.39 . . . . 0.0 110.399 176.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 14.8 t-80 -121.87 118.83 29.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.17 176.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.439 ' HB ' ' OG ' ' B' ' 26' ' ' SER . 53.6 mt -72.38 115.28 12.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.868 0.366 . . . . 0.0 110.506 178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.83 -10.66 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.703 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.605 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -155.71 109.11 2.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 177.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.47 70.86 0.86 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HD3' ' HB1' ' A' ' 76' ' ' ALA . 4.8 ptm85 -126.71 171.95 10.74 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.909 -1.041 . . . . 0.0 111.287 -167.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 38.9 mt-10 -116.15 141.25 48.38 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.116 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 64.3 t60 -114.26 77.6 1.08 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.417 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 75.87 -120.0 5.85 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -173.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 2.2 Cg_endo -84.02 -0.26 9.52 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.019 2.479 . . . . 0.0 111.863 173.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.512 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 57.7 m-20 -101.79 170.4 8.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 -178.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 53.9 t80 -129.16 131.99 47.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.49 108.04 15.03 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.649 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.97 103.14 12.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.436 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.605 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 16.8 t -108.69 126.96 65.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.081 -177.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.68 157.93 45.62 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.08 0.467 . . . . 0.0 111.165 -178.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.519 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 37.0 mt-10 -101.76 124.44 47.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 47.6 t -87.84 124.13 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.159 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -120.33 142.02 49.51 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.71 0.766 . . . . 0.0 111.888 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.614 ' OD1' ' HG3' ' A' ' 96' ' ' LYS . 2.6 t-20 -115.98 162.5 17.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.35 -1.296 . . . . 0.0 108.193 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.63 154.87 17.6 Favored 'General case' 0 C--N 1.322 -0.619 0 C-N-CA 120.703 -0.399 . . . . 0.0 110.425 -179.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.11 24.7 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.095 -0.502 . . . . 0.0 112.245 -172.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.2 m -98.13 -15.08 20.09 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.443 0.639 . . . . 0.0 109.81 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.614 ' HG3' ' OD1' ' A' ' 92' ' ' ASN . 2.0 mmmp? -72.78 165.57 24.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.01 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 tt 65.3 100.2 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.261 0 O-C-N 123.954 0.784 . . . . 0.0 109.057 -174.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -99.07 -170.59 1.94 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.476 0.655 . . . . 0.0 112.1 -172.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -152.54 158.6 42.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.252 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -66.96 130.68 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.326 0.391 . . . . 0.0 111.298 -176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -83.31 90.97 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.479 ' CD2' ' H ' ' A' ' 102' ' ' HIS . 0.8 OUTLIER -81.4 95.38 7.03 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.513 -177.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -144.99 141.92 29.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.439 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 44.1 t60 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 118.72 -0.657 . . . . 0.0 109.706 178.278 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.904 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -97.91 141.53 30.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.082 0.468 . . . . 0.0 111.18 -176.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -77.1 121.57 23.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.217 173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -121.89 142.74 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.012 0.434 . . . . 0.0 111.264 -179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.439 ' OG ' ' HB ' ' A' ' 74' ' ' ILE . 70.0 m -81.02 170.62 16.01 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.642 175.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -64.51 -37.82 88.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.094 0.474 . . . . 0.0 110.499 -178.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -78.45 0.38 26.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.729 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -90.11 -53.15 4.6 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.53 HG23 ' HB2' ' B' ' 35' ' ' LEU . 69.0 mt -52.3 -52.04 27.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.787 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -79.36 -15.38 57.99 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.26 -174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -89.2 -43.08 11.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.728 0.299 . . . . 0.0 110.826 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -91.99 -7.56 48.6 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.532 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 63.89 83.15 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.939 178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.614 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 86.2 mt -96.25 145.92 25.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.286 179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.46 ' HB ' ' HZ1' ' B' ' 96' ' ' LYS . 59.6 t -100.73 108.65 23.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.361 -177.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.4 131.01 45.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.064 0.459 . . . . 0.0 111.451 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -91.65 -37.16 8.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.839 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.27 -168.0 41.05 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.559 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 18.6 m -121.16 132.57 54.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.784 0.292 . . . . 0.0 110.275 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.9 pt -102.43 149.03 7.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.879 0.371 . . . . 0.0 110.198 177.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' B' ' 86' ' ' ALA . 2.5 t-20 -144.58 114.32 7.24 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.24 -178.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.579 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 37.7 t -101.46 100.88 11.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 178.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 13.0 m -100.04 103.39 14.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.703 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.509 ' HG2' HG12 ' B' ' 43' ' ' VAL . 80.7 mm-40 -116.24 157.93 24.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.892 0.377 . . . . 0.0 111.244 -176.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.6 m -94.59 20.84 7.97 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.398 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.29 175.13 42.07 Favored Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.894 -178.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.33 -51.05 3.86 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 121.091 -0.576 . . . . 0.0 112.851 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -59.06 -37.02 76.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.953 0.406 . . . . 0.0 111.187 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 63.4 mt -116.32 129.06 73.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.028 178.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.1 m -129.42 -37.26 1.63 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.449 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.598 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 69.0 p -127.55 168.75 14.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.745 178.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.598 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 11.2 Cg_endo -55.5 -30.99 76.51 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 122.553 2.169 . . . . 0.0 112.036 176.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.4 m -59.62 -41.58 90.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.176 178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -67.82 -45.87 73.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.463 0.649 . . . . 0.0 109.842 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 64.8 tp -58.33 -56.0 27.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.102 -179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.497 HH22 HG12 ' A' ' 25' ' ' VAL . 99.7 mtt180 -67.16 -24.74 65.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.578 -176.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -64.97 -56.52 12.68 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 21.0 mmtm -59.04 -38.23 78.86 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.707 178.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.429 HD21 ' HB1' ' B' ' 86' ' ' ALA . 95.3 mt -65.93 -49.52 67.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.055 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 46.5 m -65.24 -37.36 87.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.945 0.402 . . . . 0.0 110.336 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -56.57 -49.87 73.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.764 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.44 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 90.7 mt -74.63 -33.84 62.64 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.261 -179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.33 -50.63 70.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.0 111.25 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -67.71 -27.32 66.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.664 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.87 76.71 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.495 ' HB2' HG11 ' B' ' 90' ' ' VAL . 74.1 mmtt -70.34 -34.64 72.9 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.187 0.518 . . . . 0.0 110.015 175.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.43 23.79 5.88 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.769 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.404 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.4 132.62 10.74 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.049 -179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -88.08 -14.43 38.89 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.81 0.338 . . . . 0.0 110.765 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -125.73 143.01 51.23 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -149.65 154.7 39.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.882 0.372 . . . . 0.0 110.541 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 83.8 t60 -132.91 123.51 26.12 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.415 179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 55.6 mt -71.01 117.81 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.785 175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.59 -25.0 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.363 -178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.21 96.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.898 0.38 . . . . 0.0 111.514 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.11 81.74 1.48 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -105.09 159.32 15.93 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.291 -172.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.745 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 28.2 tt0 -118.21 105.49 11.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.381 -177.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 10.6 t-80 -100.51 82.75 2.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.832 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.11 -124.47 8.4 Favored Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -176.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -80.73 -16.99 10.02 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.457 2.105 . . . . 0.0 111.692 174.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -91.4 151.95 20.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.859 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -125.78 134.7 51.63 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.758 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -115.92 109.51 17.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.253 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.38 103.24 12.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.402 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 38.1 t -106.82 124.24 62.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.194 178.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.34 154.0 45.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.316 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.73 133.93 45.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.16 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.495 HG11 ' HB2' ' B' ' 67' ' ' LYS . 62.0 t -100.52 128.46 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.701 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.614 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 93.0 m-85 -123.99 137.27 54.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.398 0.618 . . . . 0.0 111.6 -177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -106.18 159.44 16.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.168 -0.924 . . . . 0.0 108.552 174.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.417 ' C ' ' H ' ' B' ' 95' ' ' THR . 12.3 t70 -71.02 163.74 26.96 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -178.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.69 21.79 0.28 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.214 0.53 . . . . 0.0 111.062 177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.417 ' H ' ' C ' ' B' ' 93' ' ' ASP . 16.7 m -122.32 108.1 12.85 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.998 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.46 ' HZ1' ' HB ' ' B' ' 36' ' ' VAL . 62.1 mttp -136.92 -51.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -177.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 9.1 tt -105.31 115.32 30.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.206 0.527 . . . . 0.0 111.567 -169.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -92.6 152.23 19.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.168 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -127.09 171.05 11.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.719 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -73.22 148.89 43.29 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.118 0.485 . . . . 0.0 111.367 -176.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 23.1 m170 -117.6 119.39 34.85 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 172.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -114.87 104.9 12.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.306 0.574 . . . . 0.0 111.14 -174.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -176.82 122.32 0.14 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.93 178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.607 -0.711 . . . . 0.0 109.781 178.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.628 0.251 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -117.94 148.11 42.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.025 -177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.515 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 9.9 tt0 -85.33 121.45 28.08 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-O 120.917 0.389 . . . . 0.0 109.974 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.5 m -112.17 145.57 18.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.463 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 30' ' ' ILE . 76.8 p -77.03 161.34 28.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.811 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' HA ' HD12 ' A' ' 30' ' ' ILE . 62.1 tttm -67.51 -16.79 64.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.262 0.553 . . . . 0.0 109.743 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.45 -35.85 60.84 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.282 178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -72.84 -38.39 67.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.253 0.549 . . . . 0.0 109.773 176.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.423 HD12 ' HA ' ' A' ' 27' ' ' LYS . 85.7 mt -61.37 -49.23 85.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.261 -0.882 . . . . 0.0 111.967 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.9 p -77.22 -15.54 59.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.927 0.394 . . . . 0.0 111.453 -176.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.648 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 10.8 t60 -79.32 -58.56 3.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.375 -179.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -84.88 -9.35 58.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.598 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 62.96 85.42 0.13 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.205 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HB2' HG23 ' A' ' 30' ' ' ILE . 92.6 mt -96.33 152.68 18.36 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.309 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.42 128.42 52.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.349 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -79.34 114.19 18.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.202 178.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.9 t -75.88 -44.67 38.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.231 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.43 -171.52 37.37 Favored Glycine 0 N--CA 1.448 -0.52 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.816 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.4 m -124.53 138.62 54.32 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.7 pt -127.39 157.63 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.159 179.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -141.88 144.19 33.71 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.229 0.537 . . . . 0.0 110.651 176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.9 t -116.85 101.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.59 176.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.509 ' CB ' ' HG2' ' A' ' 85' ' ' GLU . 25.5 p -107.72 94.43 5.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.108 178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 77.8 mm-40 -120.15 146.57 45.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.663 -178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.471 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -85.45 51.08 2.09 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.622 -173.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.58 -49.06 3.3 Favored Glycine 0 CA--C 1.519 0.334 0 C-N-CA 121.327 -0.463 . . . . 0.0 113.61 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -55.34 -44.02 84.71 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.458 -0.401 . . . . 0.0 113.465 -176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.469 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.3 mm100 -73.61 -46.74 45.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 0.0 111.194 -178.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 56' ' ' LEU . 44.5 mm -102.07 93.06 2.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.896 0.379 . . . . 0.0 110.528 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -103.91 -10.57 18.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.832 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.0 m -150.18 158.53 36.42 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.04 178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -57.43 -29.05 83.13 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.607 2.204 . . . . 0.0 111.556 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 5.6 m -59.22 -47.72 84.28 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.47 -0.787 . . . . 0.0 110.698 177.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -66.95 -38.38 86.02 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 121.223 0.535 . . . . 0.0 110.059 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 ' HA ' HD12 ' A' ' 50' ' ' ILE . 60.2 tp -60.01 -56.69 18.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.047 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.878 ' HG2' HD12 ' A' ' 60' ' ' LEU . 33.1 mtm105 -79.32 -4.98 53.41 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.355 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 54' ' ' SER . 5.1 tm-20 -71.63 -43.04 66.84 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 170.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.647 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 1.4 mptp? -71.12 -36.19 72.04 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.849 174.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.878 HD12 ' HG2' ' A' ' 57' ' ' ARG . 87.5 mt -62.17 -37.28 84.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.868 179.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.6 p -76.85 -36.34 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.756 0.312 . . . . 0.0 110.282 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -56.54 -56.38 22.04 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.708 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 21.2 mt -71.31 -34.26 70.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.149 -175.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.64 -43.78 92.59 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -71.78 -32.29 67.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.941 0.4 . . . . 0.0 110.13 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.11 -33.04 74.61 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.644 176.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -69.74 -52.3 26.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.439 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.05 40.38 0.26 Allowed Glycine 0 N--CA 1.448 -0.507 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.902 -178.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -125.41 175.26 17.43 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.991 -0.624 . . . . 0.0 111.832 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -119.0 -28.62 5.47 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.24 0.543 . . . . 0.0 110.736 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -121.54 135.17 55.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.677 -175.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 55.1 p90 -115.26 147.68 40.08 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 176.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -140.67 113.49 8.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.296 -175.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -71.93 128.07 34.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.098 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.5 pt -107.17 -30.9 2.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -149.51 130.57 14.42 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.73 96.27 4.19 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -108.57 135.82 49.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.23 0.538 . . . . 0.0 111.23 -173.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -87.21 88.22 7.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 172.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.8 t-160 -95.37 78.92 3.44 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.599 -168.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.86 -121.86 7.39 Favored Glycine 0 N--CA 1.443 -0.889 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.975 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' SER . 92.6 Cg_endo -82.13 -10.39 11.37 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.698 2.265 . . . . 0.0 112.032 177.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -113.48 123.4 49.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.094 0.473 . . . . 0.0 111.259 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -83.85 109.46 17.58 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 171.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.509 ' HG2' ' CB ' ' A' ' 44' ' ' SER . 55.1 mt-10 -109.61 107.8 18.01 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.078 0.466 . . . . 0.0 111.155 -173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.479 ' HB3' HD11 ' A' ' 56' ' ' LEU . . . -107.26 123.18 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.349 177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.5 t -105.2 124.1 59.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.618 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.03 154.29 48.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.885 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -101.89 146.52 27.72 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.949 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.1 t -100.78 114.09 38.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -111.87 149.25 32.1 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.462 0.649 . . . . 0.0 111.773 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -137.08 166.18 24.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 174.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -65.46 153.25 41.89 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.889 -0.412 . . . . 0.0 109.889 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.65 87.2 0.67 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.056 0.455 . . . . 0.0 109.885 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.5 p -122.34 -60.12 1.58 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.138 -177.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -82.96 68.9 9.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.546 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.3 -38.82 41.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.809 -0.811 . . . . 0.0 108.809 172.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -87.07 133.32 33.61 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.042 175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -121.72 -22.19 5.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -146.11 104.44 3.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.723 177.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -112.73 83.68 1.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.752 0.787 . . . . 0.0 110.16 170.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -82.74 91.56 7.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.159 -175.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -139.69 134.8 32.46 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.226 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.555 -0.736 . . . . 0.0 110.068 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.511 ' HB3' ' HA ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.923 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.781 ' HG2' HH22 ' A' ' 57' ' ' ARG . 6.3 tp10 -122.44 147.69 46.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.286 -179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.555 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 5.4 tt0 -91.63 124.38 35.74 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.28 150.84 14.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 121.125 0.488 . . . . 0.0 111.409 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 71.7 m -81.32 157.84 24.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.105 176.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.52 ' HA ' HD12 ' B' ' 30' ' ' ILE . 84.4 tttt -63.4 -25.85 68.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 0.0 110.617 -177.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.01 -44.5 97.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.018 175.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -66.16 -44.71 83.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.821 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.522 HG23 ' HB2' ' B' ' 35' ' ' LEU . 68.9 mt -58.56 -45.75 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.502 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 17.5 m -77.43 -38.87 48.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.08 -173.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -81.97 -31.11 31.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.972 -0.291 . . . . 0.0 111.492 -174.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -102.87 -8.06 21.04 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.898 -0.321 . . . . 0.0 111.304 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 13.4 mptt 64.52 88.88 0.1 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.45 0.643 . . . . 0.0 111.576 178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.522 ' HB2' HG23 ' B' ' 30' ' ' ILE . 98.2 mt -105.43 127.42 52.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.032 177.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.35 124.43 39.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.072 -174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -75.01 117.67 17.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.958 0.408 . . . . 0.0 110.667 178.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 58.0 t -88.74 -43.27 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.564 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -170.66 -164.41 26.33 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.19 -177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -137.38 134.76 36.31 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 21.5 pt -117.92 137.6 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.64 115.68 25.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.534 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 65.5 t -101.53 104.84 16.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 172.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 20.2 m -118.12 105.13 11.5 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 18.0 mm-40 -140.08 148.31 41.55 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 -173.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.551 ' HA ' ' HA ' ' B' ' 83' ' ' ASN . 12.4 m -79.94 159.64 26.25 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.83 113.5 2.84 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.936 178.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.78 -42.15 1.13 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.001 -0.619 . . . . 0.0 111.651 -175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 12.2 mm100 -75.76 -48.86 20.0 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -114.39 111.52 36.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 20.0 m -117.22 -9.17 11.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 0.0 110.502 -177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 43.1 m -149.17 160.32 35.11 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.808 178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.72 -29.38 51.48 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.551 2.167 . . . . 0.0 112.003 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -57.64 -46.37 84.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.988 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -64.13 -46.31 84.69 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.258 0.552 . . . . 0.0 109.861 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 53.4 tp -60.16 -55.77 29.81 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.363 -177.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 49.7 mtp85 -64.9 -28.56 69.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.42 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -63.16 -55.03 28.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.849 175.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 42.8 mmtm -61.02 -43.35 99.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.255 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.8 mt -59.95 -43.22 95.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.511 ' HA ' ' HB3' ' B' ' 22' ' ' ALA . 67.5 m -65.36 -42.52 92.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.093 178.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -64.23 -45.89 86.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.571 -179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 80.6 mt -69.78 -33.46 72.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.46 86.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.03 0.443 . . . . 0.0 110.426 177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -69.03 -26.59 65.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.609 179.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.19 -30.77 69.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.714 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.0 mmtt -84.92 -38.78 18.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.026 176.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.43 36.94 0.58 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.659 178.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -130.95 152.08 19.83 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.342 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -103.69 -9.58 19.02 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.157 0.503 . . . . 0.0 110.553 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 49.7 m-85 -126.7 154.73 43.73 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.555 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 48.1 p90 -154.96 164.43 38.89 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.845 0.355 . . . . 0.0 110.402 175.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -151.28 127.72 10.69 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.954 175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' B' ' 77' ' ' ALA . 41.1 mt -68.93 127.71 31.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 31.3 pt -105.43 -31.1 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.883 0.373 . . . . 0.0 110.894 178.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.476 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -135.92 97.39 3.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.847 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.507 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -108.19 98.95 8.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.148 176.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -119.05 157.04 28.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.636 -178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.648 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.8 tt0 -124.25 95.78 4.67 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -80.77 59.93 3.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.435 -176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -112.95 3.92 Favored Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.063 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.47 -7.73 19.88 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.594 2.196 . . . . 0.0 112.045 176.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.551 ' HA ' ' HA ' ' B' ' 46' ' ' SER . 8.3 t30 -109.79 155.6 21.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.234 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -131.38 119.57 21.86 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 55.1 mp0 -113.37 110.35 20.2 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.099 0.476 . . . . 0.0 110.927 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -114.5 110.99 20.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.788 178.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.476 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 53.9 t -101.58 121.64 52.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.066 178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -128.0 152.63 47.68 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.968 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 57.9 mt-10 -101.64 139.45 37.28 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 54.8 t -96.58 129.48 46.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.219 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.573 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 52.7 m-85 -119.96 153.32 36.12 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.333 0.587 . . . . 0.0 111.096 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -126.4 157.37 38.71 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.655 -0.868 . . . . 0.0 108.655 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -70.53 147.72 49.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.898 0.38 . . . . 0.0 110.928 -176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . -76.64 77.46 3.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.406 0.622 . . . . 0.0 111.647 -176.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 2.2 p -121.59 3.46 10.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.664 172.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 43.2 mttp -128.2 88.7 2.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.09 -174.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.418 HD12 ' HG3' ' B' ' 98' ' ' GLU . 4.0 pp -105.19 -17.33 14.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.556 -179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.418 ' HG3' HD12 ' B' ' 97' ' ' LEU . 50.2 mt-10 -90.95 120.41 31.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.157 175.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -103.57 -22.81 13.55 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 175.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -135.7 119.77 17.6 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.377 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 64.4 t60 -111.73 85.73 2.2 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -145.03 93.71 2.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.79 -174.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -115.46 -2.08 12.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.721 0.772 . . . . 0.0 108.925 171.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 45.6 t60 . . . . . 0 C--O 1.247 0.928 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.565 178.351 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -126.04 163.14 23.69 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.968 0.413 . . . . 0.0 111.165 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -104.73 124.35 49.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.53 -175.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.44 166.01 25.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.721 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -107.91 178.11 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -67.47 -8.86 36.83 Favored 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 39.8 mt-30 -70.47 -44.57 67.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 109.511 177.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -75.85 -39.61 56.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.665 179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.533 HG12 HD12 ' A' ' 35' ' ' LEU . 87.6 mt -58.72 -44.56 90.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.032 -177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.3 p -77.74 -33.9 52.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.68 0.276 . . . . 0.0 111.13 -177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.8 t-80 -71.87 -43.25 65.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.077 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -89.5 -13.51 37.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.586 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.2 OUTLIER 64.24 80.85 0.22 Allowed 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.014 178.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 30' ' ' ILE . 92.3 mt -95.27 150.89 19.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.501 179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 55.8 t -95.13 119.42 43.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.741 -177.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -74.96 111.21 9.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.51 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.7 t -81.71 -36.25 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.462 0.649 . . . . 0.0 109.924 178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.69 -158.01 26.81 Favored Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.125 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.6 m -138.08 140.3 39.92 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.2 pt -121.99 151.43 25.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.83 0.348 . . . . 0.0 110.294 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 -138.54 124.82 20.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.193 0.521 . . . . 0.0 110.413 178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 53.6 t -101.51 100.79 11.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.002 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.41 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 51.0 p -105.48 111.5 24.23 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.57 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.505 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 16.8 mm-40 -134.7 131.28 37.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.556 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.504 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 19.8 m -90.44 79.03 6.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.008 -178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 69.84 160.77 2.88 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.87 -0.604 . . . . 0.0 113.66 176.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.2 -60.94 3.11 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 121.318 -0.467 . . . . 0.0 113.224 175.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.505 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 16.5 mm-40 -59.0 -41.86 88.67 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 122.706 0.402 . . . . 0.0 111.317 -176.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 44.1 mm -118.06 107.47 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 177.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.9 t -125.6 -43.05 1.9 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.09 0.472 . . . . 0.0 110.339 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.6 m -112.24 162.23 22.37 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.392 178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.95 -28.82 70.5 Favored 'Trans proline' 0 C--N 1.349 0.554 0 C-N-CA 122.596 2.198 . . . . 0.0 111.668 175.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.6 m -58.78 -50.81 72.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.999 177.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -58.66 -46.68 86.63 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.172 0.511 . . . . 0.0 109.702 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.9 tp -52.63 -60.92 2.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.603 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -68.06 -29.6 68.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.379 -174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -72.48 -38.47 68.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.262 -177.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 59' ' ' LYS . 30.6 mmmt -70.01 -32.96 71.39 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.854 0.359 . . . . 0.0 110.741 178.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.19 -45.68 72.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.558 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.9 p -66.28 -37.21 84.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.6 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -58.17 -54.3 48.53 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.86 -29.72 67.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.933 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.78 -42.24 86.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.465 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -69.48 -32.61 71.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.584 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.67 -47.81 82.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 177.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.1 mmtm -67.89 -37.02 81.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.152 175.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.02 65.96 0.53 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.788 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.41 158.1 23.04 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.618 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 58.8 mttm -102.78 -33.83 9.24 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.271 0.558 . . . . 0.0 110.111 178.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -127.93 147.5 50.47 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.923 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -125.91 142.18 51.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.211 0.529 . . . . 0.0 110.622 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.523 ' HB2' HD11 ' A' ' 30' ' ' ILE . 14.5 t-80 -120.46 108.45 14.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.938 -176.099 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.447 HG22 HE21 ' B' ' 28' ' ' GLN . 51.4 mt -71.68 119.56 18.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.0 pt -100.1 -30.63 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.39 112.17 3.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.296 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -106.31 87.9 2.66 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 171.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.4 ptt180 -105.51 155.77 18.86 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.156 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -121.75 128.86 52.22 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.061 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.405 ' HD2' ' OE2' ' A' ' 85' ' ' GLU . 59.7 m-70 -126.34 79.46 1.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.984 0.421 . . . . 0.0 110.149 176.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.99 -124.47 8.48 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.304 -0.951 . . . . 0.0 110.854 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -81.26 -14.82 10.48 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.381 2.054 . . . . 0.0 111.993 174.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.504 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 9.3 t30 -94.72 108.36 20.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.186 0.517 . . . . 0.0 110.699 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -95.02 139.18 31.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.456 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 50.1 mt-10 -125.92 112.68 16.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.103 0.478 . . . . 0.0 111.33 -178.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.99 105.14 15.04 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.363 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 20.7 t -98.35 120.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.204 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.21 156.33 48.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 -178.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -102.08 146.78 27.43 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.193 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.8 t -101.44 121.72 52.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.462 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 82.9 m-85 -119.82 133.51 55.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.353 0.597 . . . . 0.0 111.54 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -110.46 170.52 8.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.1 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.486 ' HB2' ' HD2' ' A' ' 70' ' ' LYS . 12.5 t70 -81.62 156.01 25.35 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -73.14 76.16 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.373 0.606 . . . . 0.0 110.248 178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.6 p -100.3 -79.06 0.5 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.591 -0.732 . . . . 0.0 111.83 -174.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -82.37 90.8 6.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.855 0.359 . . . . 0.0 111.278 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.8 mt -82.64 80.17 8.84 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.62 -0.882 . . . . 0.0 108.62 171.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -66.21 116.04 6.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.303 -174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -96.44 -11.68 25.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.245 -175.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -87.06 64.95 8.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.566 0.698 . . . . 0.0 110.103 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -130.3 -175.87 3.77 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.072 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -85.14 -11.91 54.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.256 0.55 . . . . 0.0 109.847 176.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -89.08 110.22 20.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.494 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 11.9 p80 . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.328 -0.844 . . . . 0.0 110.118 -178.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' B' ' 71' ' ' TYR . 0.0 OUTLIER -136.87 161.59 35.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.763 0.316 . . . . 0.0 111.426 179.471 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.69 ' HB3' ' CE2' ' B' ' 72' ' ' TYR . 20.8 pt20 -97.34 140.52 31.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.399 0.619 . . . . 0.0 111.541 -176.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 31.4 m -126.5 172.11 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.678 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.494 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 4.3 m -96.72 174.12 6.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -63.68 -20.57 65.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.355 0.598 . . . . 0.0 110.528 -176.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 0.8 OUTLIER -72.4 -40.34 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.879 -179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.9 mp0 -74.01 -41.37 61.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 110.309 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.529 HG12 HD12 ' B' ' 35' ' ' LEU . 68.9 mt -55.11 -46.12 77.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.291 -178.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.3 p -76.15 -36.88 58.57 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.662 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -74.0 -40.03 63.22 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.269 -0.269 . . . . 0.0 110.99 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -92.11 -12.32 33.3 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm 66.78 74.61 0.33 Allowed 'General case' 0 N--CA 1.468 0.474 0 O-C-N 123.554 0.534 . . . . 0.0 111.013 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.529 HD12 HG12 ' B' ' 30' ' ' ILE . 82.7 mt -90.3 138.73 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.003 0.43 . . . . 0.0 110.82 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -97.72 122.02 48.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.514 -177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -73.87 120.4 19.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.069 0.461 . . . . 0.0 110.994 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 52.6 t -93.99 -43.44 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.438 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.5 -169.24 29.85 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.335 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 24.5 m -136.95 141.94 42.64 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.9 pt -126.65 151.5 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.334 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -139.46 120.27 14.36 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.897 0.38 . . . . 0.0 110.345 179.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.7 t -101.59 102.82 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.032 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 6.3 m -115.83 108.37 16.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.374 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -129.91 148.24 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.309 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.2 m -82.92 50.84 1.79 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.797 0.332 . . . . 0.0 111.053 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.09 -178.32 37.44 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.981 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.57 -68.98 1.79 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.623 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -57.49 -53.39 58.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.157 0.504 . . . . 0.0 110.413 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 45.8 mm -102.01 98.23 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.367 176.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.6 t -122.47 -36.74 2.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.037 0.446 . . . . 0.0 110.496 -178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 55.9 m -109.34 156.13 39.96 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.17 176.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -55.89 -29.62 73.62 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.603 2.202 . . . . 0.0 111.793 177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 14.6 m -64.69 -40.05 94.71 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.823 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.07 -42.76 96.88 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 121.325 0.583 . . . . 0.0 109.742 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 45.4 tp -63.11 -55.12 28.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.245 -0.889 . . . . 0.0 110.713 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.406 ' HG2' HH11 ' B' ' 57' ' ' ARG . 42.8 mtp85 -63.22 -29.93 71.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.402 -178.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -58.04 -60.5 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.082 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 27.4 mmtm -62.35 -38.49 89.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.918 -176.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.8 mt -60.89 -49.84 75.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 110.965 179.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 49.4 p -71.95 -36.05 69.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.774 0.321 . . . . 0.0 110.755 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.11 -44.2 97.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.968 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.8 mt -73.74 -36.55 65.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.851 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.38 87.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.137 0.494 . . . . 0.0 110.283 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -65.09 -43.67 91.39 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.615 175.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.94 -37.2 83.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.953 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -70.73 -45.22 65.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 112.87 38.02 1.33 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.103 -0.57 . . . . 0.0 111.997 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -110.08 168.05 12.96 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.303 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.1 mttt -108.17 -26.46 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.099 0.476 . . . . 0.0 110.515 -179.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.418 ' HA ' ' O ' ' B' ' 23' ' ' GLU . 75.7 m-85 -132.97 158.58 42.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.114 -177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.69 ' CE2' ' HB3' ' B' ' 24' ' ' GLN . 48.2 p90 -146.67 161.84 39.73 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.734 0.302 . . . . 0.0 110.203 173.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.424 ' HD2' HG22 ' B' ' 75' ' ' ILE . 79.1 t60 -147.25 121.4 9.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.605 -178.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 54.0 mt -69.67 112.46 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.424 HG22 ' HD2' ' B' ' 73' ' ' HIS . 38.7 pt -100.43 -18.88 6.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.803 0.335 . . . . 0.0 111.034 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.526 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -151.75 97.53 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.352 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.408 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -102.36 100.89 11.08 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 172.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.552 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 0.2 OUTLIER -122.85 167.29 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.064 0.459 . . . . 0.0 111.679 -175.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -138.15 129.33 27.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.492 -172.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -124.65 77.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.45 -115.53 4.85 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.314 -0.946 . . . . 0.0 111.025 -176.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -82.75 -18.43 6.62 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.282 1.988 . . . . 0.0 112.424 174.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -83.74 107.92 16.46 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.009 0.433 . . . . 0.0 111.105 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -96.81 129.67 44.2 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.416 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.552 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 52.4 mt-10 -117.15 118.62 32.82 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.57 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' B' ' 56' ' ' LEU . . . -111.16 102.98 11.37 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.363 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.526 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 41.2 t -94.87 118.8 41.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.927 178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.75 149.82 52.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.441 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 48.7 mt-10 -101.54 140.37 35.92 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 50.9 t -97.01 120.79 46.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.959 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -111.66 149.08 32.06 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.464 0.65 . . . . 0.0 111.382 -177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -123.09 173.31 7.94 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 170.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -90.4 -171.88 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 176.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.61 62.46 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.333 0.587 . . . . 0.0 111.506 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 98.6 m -107.56 -35.42 6.74 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.224 176.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' ' 96' ' ' LYS . 70.0 mmtt -88.43 18.47 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 112.006 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 81.3 mt -85.75 64.63 8.72 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 172.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . 0.414 ' C ' ' H ' ' B' ' 100' ' ' HIS . 44.2 mt-10 -96.01 -7.21 36.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.436 -173.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 48.2 m80 71.27 -27.69 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 176.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.414 ' H ' ' C ' ' B' ' 98' ' ' GLU . 33.4 m170 -66.73 92.39 0.22 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.048 0.452 . . . . 0.0 112.21 -172.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -154.77 -84.51 0.06 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.195 -0.912 . . . . 0.0 108.818 174.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -139.67 22.99 2.49 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 174.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -136.2 153.86 51.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.24 -172.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.7 p80 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.502 -0.761 . . . . 0.0 109.947 177.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' HB1' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -101.66 108.39 19.91 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.505 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 23.2 tt0 -91.29 102.9 15.61 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -124.15 175.04 7.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.268 -173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.533 ' HB3' ' OE1' ' B' ' 24' ' ' GLN . 80.5 p -88.52 153.64 20.98 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.995 0.426 . . . . 0.0 110.34 179.265 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 30' ' ' ILE . 67.3 tttt -70.87 -16.05 62.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.169 0.509 . . . . 0.0 109.699 179.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -64.94 -39.77 94.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.872 173.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -69.94 -47.75 61.17 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.307 0.575 . . . . 0.0 109.612 176.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' A' ' 35' ' ' LEU . 82.8 mt -53.74 -45.18 61.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 114.925 -1.034 . . . . 0.0 112.109 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -82.26 -21.41 36.26 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.795 0.331 . . . . 0.0 111.541 -177.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.603 ' CE1' ' HB2' ' B' ' 79' ' ' GLU . 3.9 t60 -77.78 -42.11 35.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.675 0.274 . . . . 0.0 110.275 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -95.91 -12.82 24.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.535 -176.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 mppt? 68.23 90.23 0.1 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.694 0.621 . . . . 0.0 111.883 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.537 ' HB2' HG23 ' A' ' 30' ' ' ILE . 84.8 mt -104.49 158.76 16.26 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.992 175.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -94.22 122.05 45.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.751 0.31 . . . . 0.0 111.03 -176.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 46.8 tttm -74.13 123.23 24.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.867 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -93.48 -43.57 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.233 178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.03 -175.67 44.52 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.906 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.3 m -126.97 129.61 48.46 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.62 155.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.437 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 6.7 p30 -145.63 129.82 17.58 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.314 0.578 . . . . 0.0 109.934 175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.6 101.35 12.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.406 175.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.525 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 1.5 p -113.66 99.88 8.06 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.338 179.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -127.54 150.82 49.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.389 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 m -83.84 47.09 1.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.394 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.7 -177.25 44.54 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.281 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.91 -57.05 2.67 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.31 -0.471 . . . . 0.0 113.034 179.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.16 -43.28 95.9 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 122.65 0.38 . . . . 0.0 110.899 -179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.1 mp -116.06 108.16 24.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.712 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m -104.7 -28.44 11.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 0.0 110.308 177.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.6 m -135.12 163.29 52.13 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.805 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.65 -25.45 50.61 Favored 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.498 2.132 . . . . 0.0 112.15 176.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.8 m -61.91 -44.02 97.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.511 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.582 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 9.4 m-20 -63.65 -43.99 95.13 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.191 0.52 . . . . 0.0 109.821 177.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CB ' ' A' ' 86' ' ' ALA . 53.9 tp -57.93 -51.19 70.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.505 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -65.64 -30.26 70.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.134 -178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.32 -40.43 97.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.994 0.426 . . . . 0.0 110.064 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 28.8 mmmt -67.86 -47.13 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.004 177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -46.42 89.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.506 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 34.1 t -59.76 -46.01 90.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.826 -179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.26 -46.5 89.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.98 -44.76 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.275 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.42 80.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.71 -32.35 73.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.213 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -62.97 -41.63 99.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 110.968 177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -74.73 -22.61 58.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.722 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.4 23.35 7.65 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.348 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -90.27 153.59 22.93 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.905 178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -110.63 -38.56 5.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.196 0.522 . . . . 0.0 109.691 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 62.9 m-85 -106.04 143.34 34.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.58 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 29.1 p90 -144.76 151.38 38.76 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.981 0.419 . . . . 0.0 110.166 174.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -146.19 126.35 13.81 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.81 -176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 74' ' ' ILE . 3.8 mp -77.88 127.46 38.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 177.055 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 15.1 pt -105.76 -32.73 2.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.001 0.429 . . . . 0.0 110.967 177.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -142.96 94.72 2.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.475 -177.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -87.74 75.37 8.97 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.806 -0.812 . . . . 0.0 108.806 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 3.0 ptm180 -91.45 153.31 19.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.588 -172.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.607 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 33.1 tt0 -116.08 132.98 56.5 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.988 -176.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.589 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -120.15 53.15 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 -177.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.407 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.41 -119.17 6.09 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.407 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 12.2 Cg_exo -71.34 -15.88 31.31 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 123.073 2.515 . . . . 0.0 111.594 174.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.589 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 53.2 m-80 -96.18 146.43 24.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.291 179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.525 ' O ' ' HA ' ' A' ' 44' ' ' SER . 85.7 t80 -123.65 131.1 53.53 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 177.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.518 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 39.6 mt-10 -123.65 107.73 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.831 0.348 . . . . 0.0 110.587 -178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -104.97 106.5 17.01 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 120.795 0.331 . . . . 0.0 110.741 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 42.3 t -93.63 122.49 45.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.073 179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.33 160.2 36.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.946 -177.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -101.82 151.53 21.97 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.907 -178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.1 t -120.91 121.73 65.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.389 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.469 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 88.8 m-85 -126.41 150.92 48.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.451 0.643 . . . . 0.0 111.786 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -122.07 169.96 10.33 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -70.0 157.04 38.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.276 178.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.98 83.12 1.78 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -173.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m 70.05 117.54 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.211 0 CA-C-O 121.601 0.715 . . . . 0.0 111.636 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 52.1 mttm -80.39 95.54 6.43 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.396 -177.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.9 mt -81.8 -15.26 54.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -71.54 120.6 17.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.213 0.53 . . . . 0.0 110.166 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -107.61 -11.72 15.4 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.228 -174.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 -78.0 90.63 4.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.001 -176.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -114.28 -71.33 0.75 Allowed 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 171.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -126.75 146.39 50.25 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 169.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -150.2 138.94 20.79 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.693 -179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.394 -0.812 . . . . 0.0 109.742 178.282 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.931 0.396 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -98.53 149.34 22.84 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.189 -173.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.533 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 5.6 tt0 -105.41 121.99 45.06 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.302 176.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 29.5 m -119.51 173.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 176.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.566 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 35.6 m -99.89 166.06 11.25 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 120.486 -0.486 . . . . 0.0 109.909 177.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' B' ' 30' ' ' ILE . 32.3 tttp -69.45 -6.46 30.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.105 0.479 . . . . 0.0 110.168 -176.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -72.64 -45.2 60.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.551 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.566 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 2.6 mp0 -73.37 -36.07 66.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.527 179.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.545 HG12 HD12 ' B' ' 35' ' ' LEU . 87.5 mt -59.48 -45.7 93.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.134 179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 57.7 m -78.2 -2.5 38.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.221 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . 0.607 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 3.9 t60 -95.19 -53.19 3.88 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -87.17 -5.52 58.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.46 -176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp 61.5 57.48 2.31 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.9 176.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.545 HD12 HG12 ' B' ' 30' ' ' ILE . 92.9 mt -71.35 155.89 40.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.004 -178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.3 t -100.79 127.21 54.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.107 -177.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 46.0 tttm -86.1 122.15 29.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.205 0.526 . . . . 0.0 110.917 -176.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 40.8 t -89.45 -33.06 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.704 -177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.63 -166.97 37.66 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.125 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 9.4 m -132.16 137.12 47.53 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.7 pt -123.92 138.84 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.769 0.319 . . . . 0.0 110.434 179.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.87 127.55 40.44 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.178 0.513 . . . . 0.0 109.788 176.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 41.2 t -101.68 100.65 10.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.58 110.26 22.49 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.384 -0.825 . . . . 0.0 110.041 179.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -120.75 144.78 48.09 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.445 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -67.67 -31.37 71.31 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.105 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.87 163.1 9.38 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.405 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.48 -48.0 3.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.765 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.34 -58.24 9.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.795 0.331 . . . . 0.0 110.829 -179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' B' ' 55' ' ' ASP . 35.9 mt -104.9 121.2 56.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.305 -0.407 . . . . 0.0 109.903 176.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.3 t -126.44 -26.29 3.33 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.685 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.5 p -127.87 164.12 38.93 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.455 -177.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.1 -16.53 40.24 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.586 2.191 . . . . 0.0 111.993 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 22.3 t -68.64 -48.57 63.69 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.994 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.531 ' HB2' HG23 ' B' ' 50' ' ' ILE . 3.1 m-20 -64.01 -41.51 97.43 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.022 -0.732 . . . . 0.0 109.022 177.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.5 tp -57.39 -58.76 6.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.508 -178.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.34 -33.46 72.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.075 -177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -67.48 -47.44 70.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.573 -178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' B' ' 59' ' ' LYS . 11.1 mmpt? -62.18 -43.42 98.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.6 178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 97.7 mt -61.22 -47.91 83.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 55.8 m -62.35 -42.57 99.5 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.809 0.338 . . . . 0.0 110.48 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -59.89 -48.92 79.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.96 -178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 80.8 mt -71.12 -45.5 63.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.196 -178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.94 88.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.97 0.414 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -61.44 -42.7 99.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.83 178.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.51 72.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.189 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.3 mmtt -73.38 -28.11 61.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.028 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.14 25.22 6.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.091 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -105.54 158.38 15.87 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.601 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -113.65 -21.52 10.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.235 0.54 . . . . 0.0 110.359 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -128.73 150.52 50.24 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.668 -0.697 . . . . 0.0 109.52 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 39.9 p90 -143.33 164.23 30.82 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 120.762 0.315 . . . . 0.0 110.216 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 12.6 t-80 -146.06 122.98 11.33 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.593 -178.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 66.3 mt -76.27 122.55 30.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.773 0.32 . . . . 0.0 110.164 176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.7 pt -99.28 -27.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.64 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.36 103.56 3.16 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.318 -179.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.16 73.85 1.73 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 171.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -98.22 142.82 29.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.687 -168.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.603 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 22.3 tt0 -94.84 114.47 26.35 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.464 177.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' B' ' 83' ' ' ASN . 4.4 t60 -97.03 67.64 2.23 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -175.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.25 -117.28 5.53 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.38 -0.914 . . . . 0.0 110.941 -177.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -85.0 -4.36 9.7 Favored 'Trans proline' 0 N--CA 1.457 -0.643 0 C-N-CA 122.411 2.074 . . . . 0.0 111.731 173.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 11.2 m120 -104.08 170.43 7.91 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.307 -178.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -135.5 133.4 38.43 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.395 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -122.04 112.85 18.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.48 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.48 103.15 12.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.633 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 25.4 t -100.47 119.8 49.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.365 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.4 156.68 45.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.207 0.527 . . . . 0.0 111.488 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -101.68 138.1 39.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.466 179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -97.98 122.73 49.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.568 0.223 . . . . 0.0 110.411 178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.498 ' CE2' HD13 ' B' ' 30' ' ' ILE . 56.6 m-85 -126.11 150.46 48.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.726 0.774 . . . . 0.0 112.056 -176.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -146.34 -172.31 3.92 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 169.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -124.08 139.68 53.7 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 120.839 0.352 . . . . 0.0 110.514 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -97.01 -15.71 20.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.802 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.85 75.92 7.78 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.176 0.512 . . . . 0.0 111.066 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.515 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.0 OUTLIER -77.21 87.5 3.65 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.84 -26.59 59.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.503 -0.771 . . . . 0.0 112.137 -174.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.36 121.04 9.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.108 0.48 . . . . 0.0 110.474 -175.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -149.62 18.01 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.67 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -113.16 91.8 3.78 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.739 0.304 . . . . 0.0 110.385 -176.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -116.15 -76.37 0.57 Allowed 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.462 178.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 25.7 p-80 -171.39 151.14 2.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.028 0.442 . . . . 0.0 111.227 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 53.4 m80 -100.1 -22.15 15.31 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 170.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--O 1.246 0.916 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.266 175.127 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -97.63 127.86 43.9 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.095 0.474 . . . . 0.0 111.663 -174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.51 ' HG2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -85.59 117.56 24.56 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 176.265 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.0 m -128.97 155.39 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.727 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.415 ' HB3' ' OE1' ' A' ' 29' ' ' GLU . 21.5 t -86.67 169.95 12.24 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.138 0.494 . . . . 0.0 110.572 -177.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -63.81 -20.31 65.68 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.424 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.497 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 1.9 mp0 -68.7 -41.46 79.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.508 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 26' ' ' SER . 2.5 mp0 -65.64 -42.89 90.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.632 0.254 . . . . 0.0 110.444 176.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.511 HG13 HD12 ' A' ' 35' ' ' LEU . 1.9 mp -57.22 -47.73 83.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.923 178.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.1 p -73.75 -34.84 64.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.652 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -71.24 -46.21 61.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.729 0.3 . . . . 0.0 111.099 -178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -91.75 -6.58 51.62 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.652 -175.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp 58.8 56.44 4.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.1 0.476 . . . . 0.0 110.247 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.511 HD12 HG13 ' A' ' 30' ' ' ILE . 79.7 mt -68.04 147.07 52.89 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.459 -176.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 70.0 t -84.59 116.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.302 -178.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.46 110.23 7.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.125 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.7 t -85.3 -50.43 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.699 -177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.21 -178.9 47.26 Favored Glycine 0 N--CA 1.447 -0.576 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.6 m -120.91 121.94 39.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.879 0.34 . . . . 0.0 110.505 -177.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.48 ' C ' HD22 ' A' ' 42' ' ' ASN . 30.8 pt -104.11 136.85 35.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.207 0.527 . . . . 0.0 110.476 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.48 HD22 ' C ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -118.75 120.31 37.0 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.188 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 61.7 t -101.45 100.93 11.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 176.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.3 p -120.45 103.18 8.98 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.187 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -103.62 157.03 17.34 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.418 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.5 m -75.88 -17.64 59.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.231 -174.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.07 -165.23 10.82 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.774 -0.726 . . . . 0.0 111.649 178.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.18 67.73 3.41 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.968 -0.634 . . . . 0.0 111.948 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -83.86 -0.42 51.14 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.16 0.505 . . . . 0.0 110.42 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 4.0 mp -118.37 95.76 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.0 m -96.47 -28.08 14.59 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.168 -177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 95.8 p -137.44 166.37 27.26 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.162 -178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.499 ' HG2' ' HE2' ' B' ' 71' ' ' TYR . 50.5 Cg_exo -57.49 -25.03 64.54 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.531 2.154 . . . . 0.0 111.944 174.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.1 m -64.77 -47.25 78.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.224 175.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.07 -42.75 99.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 121.394 0.616 . . . . 0.0 109.897 176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 36.6 tp -59.49 -50.84 72.36 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.831 -1.077 . . . . 0.0 110.516 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 34.6 mtm105 -64.78 -39.58 93.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.4 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -55.26 -51.89 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.768 0.318 . . . . 0.0 110.916 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.609 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.8 mptt -64.88 -51.14 63.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.362 179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD22 ' HB3' ' A' ' 88' ' ' ALA . 97.6 mt -62.94 -42.29 99.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.914 -174.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 61.6 p -64.53 -43.99 92.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.794 0.331 . . . . 0.0 110.637 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -58.27 -47.65 82.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.733 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 20.8 mt -73.54 -38.62 65.21 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.922 -177.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.79 96.56 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.963 0.411 . . . . 0.0 111.238 -179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -71.5 -31.32 66.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.436 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.05 -25.96 65.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.871 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -82.81 -52.14 7.02 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.369 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.82 51.19 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.503 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.11 154.77 21.15 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -97.53 -29.7 13.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.183 0.516 . . . . 0.0 109.915 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -121.84 163.35 19.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.859 -177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.51 ' CE1' ' HG2' ' A' ' 24' ' ' GLN . 54.1 p90 -155.22 154.68 32.6 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 172.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -132.71 127.41 34.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.797 0.332 . . . . 0.0 110.704 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 46.1 mt -72.86 111.19 6.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.705 175.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 19.7 pt -98.54 -14.15 7.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.421 -176.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.539 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -159.56 99.71 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.148 177.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.83 103.29 13.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.1 ptm85 -134.84 175.62 9.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.008 0.433 . . . . 0.0 111.091 -173.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -135.38 111.23 9.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.698 -177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -100.05 89.98 4.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.983 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.74 -128.53 11.23 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -176.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.14 -3.26 10.27 Favored 'Trans proline' 0 N--CA 1.456 -0.68 0 C-N-CA 122.499 2.132 . . . . 0.0 111.526 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -99.47 114.25 27.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.614 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -81.94 131.76 35.25 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 176.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -122.11 110.36 15.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.337 0.589 . . . . 0.0 110.64 -176.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.55 103.36 12.86 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.219 178.127 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 59.5 t -94.96 107.57 19.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.108 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' HB3' HD22 ' A' ' 60' ' ' LEU . . . -122.88 145.53 48.38 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.021 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -108.05 137.42 46.07 Favored 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.135 -179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 42.9 t -90.9 128.46 42.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.781 -174.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.497 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 86.0 m-85 -128.26 147.92 50.62 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.234 0.54 . . . . 0.0 110.677 -179.211 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -131.53 175.31 9.26 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 175.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -75.53 160.55 30.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.448 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -77.89 2.51 17.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.253 0.549 . . . . 0.0 110.608 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.2 m -99.43 98.11 9.07 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.897 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.511 ' HG2' ' HG ' ' A' ' 97' ' ' LEU . 88.1 tttt -142.35 -66.8 0.39 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.269 -177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.511 ' HG ' ' HG2' ' A' ' 96' ' ' LYS . 96.1 mt -136.05 176.73 8.42 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.179 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -69.36 148.87 49.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.69 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 54.1 m-70 -142.79 21.78 1.97 Allowed 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.63 -4.13 44.41 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.804 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.6 t-80 -67.35 125.15 25.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.77 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -87.48 154.86 20.31 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.232 -0.44 . . . . 0.0 109.963 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -80.8 165.16 22.15 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.856 0.36 . . . . 0.0 110.803 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.3 m80 . . . . . 0 C--O 1.251 1.155 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.617 178.347 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -97.31 135.88 38.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.007 -172.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 12.6 tt0 -101.53 118.17 36.4 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 173.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.5 m -126.48 154.98 36.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.247 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.471 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 16.3 m -91.52 163.62 14.08 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 179.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HA ' HD12 ' B' ' 30' ' ' ILE . 83.8 tttt -62.62 -22.82 66.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.251 -173.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.41 ' HB2' ' OE1' ' B' ' 29' ' ' GLU . 0.3 OUTLIER -62.09 -48.23 81.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 109.827 177.095 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.471 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 1.8 mp0 -70.71 -40.9 72.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.814 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.523 HG12 HD12 ' B' ' 35' ' ' LEU . 79.8 mt -57.37 -43.39 82.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.747 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.2 t -72.48 -37.25 68.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.016 -178.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -74.05 -44.49 54.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.593 0.235 . . . . 0.0 111.207 -175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -88.38 -9.99 50.81 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 121.226 -0.19 . . . . 0.0 111.396 -177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.57 73.17 0.49 Allowed 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.65 0.594 . . . . 0.0 110.997 178.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.523 HD12 HG12 ' B' ' 30' ' ' ILE . 99.5 mt -85.64 155.69 21.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.445 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' B' ' 94' ' ' ALA . 41.5 t -86.92 112.82 23.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.813 0.34 . . . . 0.0 110.807 -176.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -76.06 116.72 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.005 0.431 . . . . 0.0 110.383 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -86.41 -42.85 15.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.23 0.538 . . . . 0.0 109.655 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 168.22 -158.04 30.58 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.909 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 60.1 m -138.31 129.86 27.78 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 25.1 pt -105.66 149.88 8.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.387 . . . . 0.0 111.213 -176.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . 0.478 ' C ' HD22 ' B' ' 42' ' ' ASN . 0.2 OUTLIER -123.68 116.57 23.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.805 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.54 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 49.4 t -101.29 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.166 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -105.36 95.65 5.97 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.494 ' OE1' HG13 ' B' ' 43' ' ' VAL . 0.5 OUTLIER -113.04 176.47 5.0 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.604 -176.051 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 12.0 p -94.47 147.77 22.91 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.506 -0.316 . . . . 0.0 110.279 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -60.29 101.84 0.31 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.25 -0.5 . . . . 0.0 112.224 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 148.62 -34.4 1.15 Allowed Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.173 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -68.92 -42.95 76.1 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' B' ' 55' ' ' ASP . 3.6 mp -105.25 107.58 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.41 174.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 14.4 m -115.79 -21.52 9.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.439 0.638 . . . . 0.0 110.096 179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -124.18 150.18 62.78 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.606 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_endo -53.04 -27.52 36.59 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.813 2.342 . . . . 0.0 112.091 175.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 19.5 m -62.33 -42.43 99.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.669 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 44.0 m-20 -62.25 -42.06 98.99 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 59.4 tp -54.9 -53.64 52.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.841 178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 24.5 mtm180 -68.71 -31.0 69.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.107 -178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -60.35 -48.0 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.924 0.392 . . . . 0.0 110.424 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 30.1 mmmt -66.37 -41.78 88.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.055 0.455 . . . . 0.0 110.289 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 96.9 mt -67.31 -49.85 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.614 -177.012 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 34.4 p -61.08 -38.07 84.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.517 0.198 . . . . 0.0 111.093 -177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -60.73 -53.76 53.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.98 0.419 . . . . 0.0 110.764 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.536 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 95.3 mt -67.25 -32.16 73.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.833 -178.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.48 89.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.403 175.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -67.08 -35.16 79.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.5 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.58 -38.36 90.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.536 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.1 mmtt -72.51 -29.46 63.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.235 0.54 . . . . 0.0 110.232 176.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 101.94 43.88 2.01 Favored Glycine 0 N--CA 1.445 -0.736 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.932 -178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -123.19 158.45 17.81 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.193 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -117.25 -21.76 8.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.265 0.555 . . . . 0.0 110.235 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 91' ' ' TYR . 32.8 m-85 -115.4 146.91 41.15 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.109 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' B' ' 89' ' ' GLU . 50.8 p90 -141.51 153.6 45.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.09 0.472 . . . . 0.0 110.934 176.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 18.0 t-80 -134.92 110.84 9.39 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 59.5 mt -74.75 125.04 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.287 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 36.2 pt -112.74 -12.99 11.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.882 0.372 . . . . 0.0 111.041 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.76 123.79 5.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.024 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.31 71.01 1.46 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 175.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.539 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.9 ptp180 -105.55 147.17 28.67 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.677 -169.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -104.23 95.64 6.1 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.219 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 28.7 t60 -93.94 76.6 4.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.164 -174.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.49 -121.18 6.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.539 -0.838 . . . . 0.0 111.356 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -87.71 0.24 7.17 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.821 2.347 . . . . 0.0 112.109 175.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -112.12 130.29 55.95 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.228 0.537 . . . . 0.0 110.779 -178.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -97.23 114.28 26.0 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.37 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 3.4 mm-40 -102.1 107.8 19.01 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.769 -178.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -116.82 112.15 20.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.306 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 35.2 t -111.45 123.3 67.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.835 -179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.39 155.88 49.41 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.682 -177.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.45 ' O ' ' HA ' ' B' ' 72' ' ' TYR . 34.9 mt-10 -101.81 140.05 36.62 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 59.4 t -104.04 126.56 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.583 -177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.578 ' HB2' ' HB2' ' B' ' 71' ' ' TYR . 97.7 m-85 -126.21 138.08 53.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.342 0.591 . . . . 0.0 111.418 -179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -97.8 158.11 15.7 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.402 -0.817 . . . . 0.0 108.8 177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.469 ' HA ' ' HE1' ' B' ' 71' ' ' TYR . 29.4 t70 -64.57 141.8 58.65 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.531 ' HA ' HG23 ' B' ' 36' ' ' VAL . . . -75.68 80.06 2.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.149 0.5 . . . . 0.0 111.926 -172.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 27.2 m -153.02 -79.2 0.1 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.041 173.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 79.0 mttt 56.42 -165.7 0.13 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.556 0.535 . . . . 0.0 111.531 -176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 77.8 mt -83.44 164.38 19.94 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.343 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.39 148.92 23.99 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.803 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -126.09 138.72 53.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.943 173.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -134.98 22.12 3.52 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.501 0.667 . . . . 0.0 109.764 -177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -79.07 132.12 36.5 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.864 177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . 0.468 ' HB3' ' H ' ' B' ' 103' ' ' HIS . 35.2 m-70 -84.06 -166.72 1.5 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 -170.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . 0.468 ' H ' ' HB3' ' B' ' 102' ' ' HIS . 50.6 t60 -76.75 141.87 40.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.623 -166.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 C--O 1.247 0.954 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.377 170.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.438 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -124.93 160.11 29.64 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HG3' ' HA ' ' A' ' 73' ' ' HIS . 10.1 tt0 -104.72 134.67 47.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.216 0.531 . . . . 0.0 111.955 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.512 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 22.6 m -127.35 165.03 27.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.682 171.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.519 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 75.0 m -101.22 175.58 5.54 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.068 0.461 . . . . 0.0 111.382 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 25.8 tttm -48.89 -37.62 20.26 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.559 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.604 HE21 HG22 ' B' ' 74' ' ' ILE . 1.2 mp0 -64.5 -43.65 93.44 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.0 -175.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.9 mp0 -72.88 -41.3 64.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.911 0.386 . . . . 0.0 110.11 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.5 HG12 HD12 ' A' ' 35' ' ' LEU . 76.9 mt -58.58 -41.7 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.337 -179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.8 p -81.42 -21.73 38.69 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.741 -177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -84.67 -42.78 14.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.847 0.356 . . . . 0.0 110.811 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -88.81 -12.24 42.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.913 -179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp 60.91 81.91 0.18 Allowed 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.723 0.64 . . . . 0.0 110.81 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD12 HG12 ' A' ' 30' ' ' ILE . 96.2 mt -95.01 150.26 20.35 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.795 -178.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.79 125.23 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.262 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.3 tmtp? -77.68 104.67 8.36 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.6 t -81.61 -53.58 11.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.599 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -172.6 -163.26 26.12 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.595 -178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.528 HG23 ' HG2' ' A' ' 89' ' ' GLU . 15.2 m -133.72 142.18 47.87 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.6 pt -123.26 155.98 29.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.369 . . . . 0.0 110.48 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -143.21 130.96 21.41 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.097 0.475 . . . . 0.0 110.191 176.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 60.2 t -101.55 100.85 11.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.761 176.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 22.9 t -100.32 110.23 22.45 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.475 ' HG2' HG12 ' A' ' 43' ' ' VAL . 82.2 mm-40 -113.5 153.39 28.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.028 -177.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.496 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 21.7 t -91.29 17.44 8.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.282 -174.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.87 -138.1 5.04 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.184 -1.008 . . . . 0.0 112.724 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.04 41.18 2.92 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 121.095 -0.574 . . . . 0.0 113.363 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 -62.5 -35.94 80.96 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.7 mp -105.51 88.21 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.473 169.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 p -96.91 -25.71 15.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.843 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.0 m -124.72 153.2 70.21 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -56.53 -26.15 62.45 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 m -64.89 -39.91 94.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.698 176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -69.79 -34.17 73.36 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 121.362 0.601 . . . . 0.0 109.579 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.19 -52.68 64.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.626 178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.5 mtm105 -66.26 -28.99 69.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -57.8 -57.32 13.28 Favored 'General case' 0 C--N 1.33 -0.28 0 O-C-N 123.382 0.426 . . . . 0.0 110.559 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.573 ' HA ' ' HE2' ' A' ' 59' ' ' LYS . 10.6 mmpt? -61.67 -40.59 95.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.311 -179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.6 mt -63.51 -46.23 87.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.228 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.438 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 23.5 t -64.24 -40.78 96.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.903 0.382 . . . . 0.0 110.04 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -58.66 -46.16 87.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.949 179.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 64.1 mt -75.58 -31.56 60.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.257 -177.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.9 72.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.786 0.327 . . . . 0.0 110.819 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.55 -26.58 66.38 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.21 -50.29 41.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -61.96 -49.72 74.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.023 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.77 50.52 0.21 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.153 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -141.26 135.06 6.64 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 178.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -88.64 -20.15 25.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.666 0.27 . . . . 0.0 111.417 -175.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -129.53 129.96 45.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 55.4 p90 -128.71 167.79 16.74 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.651 0.262 . . . . 0.0 110.418 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.468 ' ND1' ' HA ' ' A' ' 26' ' ' SER . 85.0 t60 -148.63 124.17 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.608 177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.09 114.86 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.86 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.0 pt -100.69 -22.55 4.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.995 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -153.75 98.36 2.19 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.887 0.375 . . . . 0.0 111.43 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.26 86.58 3.04 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 173.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 85' ' ' GLU . 6.7 ptp180 -106.57 148.97 27.64 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.354 0.597 . . . . 0.0 111.404 -172.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -99.45 124.58 44.73 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.511 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -106.19 55.07 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 -176.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.65 -115.47 4.77 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.261 -0.971 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.92 -15.52 13.17 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.41 2.073 . . . . 0.0 111.753 175.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 46.1 m-80 -98.55 157.91 15.94 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.416 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -125.9 134.62 51.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 78' ' ' ARG . 37.9 mt-10 -123.92 108.07 12.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.123 0.487 . . . . 0.0 110.505 -177.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.28 103.6 13.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.568 179.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 41.2 t -96.98 121.12 47.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.433 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.37 146.52 44.6 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.152 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.528 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.0 mt-10 -101.86 146.85 27.24 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.504 -0.479 . . . . 0.0 110.402 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 55.2 t -104.57 123.95 58.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.005 -174.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.426 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 85.7 m-85 -122.79 155.51 36.4 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.084 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -138.92 170.29 16.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 175.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -81.9 152.72 26.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.321 -179.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.57 50.68 0.69 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.034 0.445 . . . . 0.0 111.076 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 m -75.68 -26.74 57.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.316 0.579 . . . . 0.0 109.974 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -81.3 144.89 31.19 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.999 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 88.5 mt -94.85 13.44 24.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.482 -173.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.32 83.74 7.62 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.169 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -142.82 26.47 1.72 Allowed 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 171.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -76.37 -16.14 59.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.037 -1.438 . . . . 0.0 109.653 -176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 48.5 t60 65.81 97.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.656 -1.156 . . . . 0.0 112.225 174.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 21.9 m80 -129.81 -179.89 5.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.495 171.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -92.99 123.7 36.43 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.628 0.251 . . . . 0.0 110.457 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 22.0 t60 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.615 -0.707 . . . . 0.0 109.207 173.64 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.612 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.901 0.382 . . . . 0.0 110.603 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -131.76 159.08 39.51 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.369 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.45 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.2 tt0 -99.84 128.98 45.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 110.832 176.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.407 HG23 HD11 ' B' ' 30' ' ' ILE . 6.5 m -132.16 167.91 25.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.134 -0.939 . . . . 0.0 108.722 173.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.519 ' HB3' ' NE2' ' B' ' 28' ' ' GLN . 14.4 t -102.83 174.31 5.93 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.474 0.654 . . . . 0.0 110.715 -175.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.417 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 20.2 ttmm -71.41 -4.12 24.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.276 -171.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.519 ' NE2' ' HB3' ' B' ' 26' ' ' SER . 0.0 OUTLIER -82.2 -39.21 23.47 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.219 0.533 . . . . 0.0 109.699 176.772 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.445 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.8 mp0 -71.1 -37.92 72.39 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.716 178.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.407 HD11 HG23 ' B' ' 25' ' ' VAL . 1.7 mp -59.53 -42.44 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.44 178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 3.4 p -74.38 -35.24 63.49 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.634 0.254 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 -69.74 -53.38 18.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.049 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -82.34 -7.21 59.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.072 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' HB2' ' HE2' ' B' ' 34' ' ' LYS . 4.6 tppt? 61.68 69.88 0.62 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.891 177.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.68 153.65 17.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -92.66 126.71 45.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.808 -177.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 2.2 tmtp? -82.61 90.89 6.86 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -66.67 -49.27 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.175 -173.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.16 -173.06 37.93 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.915 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 1.7 m -121.54 132.52 54.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 -178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.4 pt -112.81 128.91 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.944 0.402 . . . . 0.0 110.405 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -120.74 120.77 36.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.291 0.567 . . . . 0.0 111.198 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.536 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -101.27 100.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.355 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 18.0 t -96.04 105.67 17.74 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -100.05 141.81 32.38 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.963 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -85.36 1.54 48.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.096 -0.956 . . . . 0.0 110.574 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.84 161.58 36.37 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.89 179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.88 -51.91 4.5 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.719 178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -62.77 -49.56 74.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.607 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' B' ' 56' ' ' LEU . 30.4 mt -102.01 120.89 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.95 176.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.5 t -136.14 -38.96 0.69 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.647 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 7.4 m -99.18 155.77 36.18 Favored Pre-proline 0 N--CA 1.445 -0.705 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.794 -179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.33 -28.87 65.02 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.459 2.106 . . . . 0.0 111.248 175.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 2.4 m -58.15 -48.77 79.23 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.75 176.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.421 ' HB2' HG23 ' B' ' 50' ' ' ILE . 15.3 m-20 -64.64 -44.51 90.24 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.192 0.52 . . . . 0.0 110.249 -177.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.503 ' HA ' HD13 ' B' ' 50' ' ' ILE . 61.7 tp -58.77 -54.17 50.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.098 -177.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 mtm180 -68.57 -31.24 70.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.826 -176.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -64.97 -41.47 95.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.686 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' B' ' 59' ' ' LYS . 43.8 mmtt -66.36 -40.39 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.744 0.306 . . . . 0.0 110.898 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 80.2 mt -62.81 -46.39 88.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.243 177.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 26.5 t -63.21 -42.83 99.35 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.257 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -59.47 -50.34 74.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.124 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 61.8 mt -69.61 -38.93 77.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.058 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.39 -43.67 96.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.692 0.282 . . . . 0.0 110.726 178.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.49 -43.16 99.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.843 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -64.58 -34.52 78.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.125 179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -75.0 -30.83 61.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.37 19.99 8.08 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.948 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -107.29 146.93 16.2 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.35 -178.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.612 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 99.5 mttt -96.89 -17.72 19.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.028 0.442 . . . . 0.0 110.811 179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -130.76 144.44 51.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.419 -177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.45 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 42.3 p90 -135.54 156.66 48.52 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.199 177.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.456 ' CD2' ' HA ' ' B' ' 26' ' ' SER . 23.2 t-80 -137.56 111.72 8.47 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.376 -178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.604 HG22 HE21 ' A' ' 28' ' ' GLN . 67.3 mt -69.0 132.22 33.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 177.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 20.3 pt -110.54 -29.32 2.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.699 176.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -150.06 109.12 3.91 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' B' ' 85' ' ' GLU . . . -122.95 90.92 3.38 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 172.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -121.5 166.29 14.37 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.054 -170.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -93.82 110.1 21.77 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.687 -1.142 . . . . 0.0 109.497 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.446 ' HB2' ' CG ' ' B' ' 85' ' ' GLU . 7.1 t-160 -101.73 61.16 0.89 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -177.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.458 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.95 -119.18 6.29 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.482 -0.866 . . . . 0.0 111.172 -178.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.458 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 3.0 Cg_exo -82.24 -0.3 10.16 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.008 2.472 . . . . 0.0 111.721 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -111.98 158.92 18.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -122.43 126.26 47.57 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.601 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.601 ' O ' ' HA ' ' B' ' 77' ' ' ALA . 4.2 mm-40 -107.93 107.91 18.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.538 -175.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.536 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -108.87 102.9 11.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.88 0.372 . . . . 0.0 110.126 174.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -109.52 119.96 59.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.549 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 74' ' ' ILE . . . -130.33 160.88 32.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.122 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -101.58 139.95 36.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.518 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 94.9 t -94.03 115.33 32.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 177.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -111.83 131.78 55.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.315 0.579 . . . . 0.0 110.756 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -132.24 165.88 23.14 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.102 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -73.19 179.56 3.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -81.34 50.2 1.41 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.912 0.387 . . . . 0.0 110.455 -178.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.0 m -56.82 -41.59 78.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.327 -177.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -89.85 -86.27 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.706 HD13 ' HB2' ' B' ' 100' ' ' HIS . 0.6 OUTLIER 179.99 -57.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 70.24 -47.94 0.63 Allowed 'General case' 0 N--CA 1.472 0.637 0 O-C-N 123.978 0.799 . . . . 0.0 112.268 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -64.54 -22.89 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.063 0.459 . . . . 0.0 110.068 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . 0.706 ' HB2' HD13 ' B' ' 97' ' ' LEU . 38.4 t-80 -74.55 107.05 6.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.131 176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -167.22 160.98 14.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.182 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -105.47 -45.28 4.49 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -131.8 -63.91 0.81 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.8 176.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 40.3 t60 . . . . . 0 C--O 1.252 1.216 0 CA-C-O 118.248 -0.882 . . . . 0.0 109.691 175.819 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.665 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 109.705 -0.479 . . . . 0.0 109.705 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -130.85 171.38 13.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.015 0.436 . . . . 0.0 111.148 -173.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.561 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 10.2 tt0 -92.2 139.35 30.71 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.183 177.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.8 m -118.13 140.22 42.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.887 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.8 t -82.21 162.02 22.52 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.282 174.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -60.72 -28.99 69.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.188 0.518 . . . . 0.0 110.007 176.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 15.1 mt-30 -63.7 -24.74 67.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.731 177.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -90.76 -46.74 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.694 175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 35' ' ' LEU . 78.4 mt -56.15 -51.19 65.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.669 -178.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 m -77.74 -5.21 49.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.537 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.545 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 5.3 t60 -95.37 -41.09 9.18 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.407 -178.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -102.85 -0.86 30.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.193 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 63.56 56.8 1.54 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.124 177.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.531 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.9 mt -73.33 144.22 46.61 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.974 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' A' ' 94' ' ' ALA . 79.5 t -99.14 125.92 52.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.024 -176.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -79.65 132.07 36.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.614 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.63 -46.0 12.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.618 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.85 -159.65 21.47 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.677 -177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 30.6 m -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.0 pt -127.17 160.11 36.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.792 0.33 . . . . 0.0 110.303 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' A' ' 86' ' ' ALA . 28.1 p-10 -146.84 130.98 17.35 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.279 0.561 . . . . 0.0 110.64 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.477 HG12 ' HG2' ' A' ' 45' ' ' GLN . 48.8 t -101.56 101.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.796 177.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.3 m -97.08 114.3 25.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.562 ' HG3' HD13 ' A' ' 50' ' ' ILE . 78.3 mm-40 -124.73 147.9 48.37 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.432 -176.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 m -80.64 18.4 0.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.822 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.79 10.43 83.39 Favored Glycine 0 N--CA 1.451 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 113.002 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.05 35.55 4.32 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.893 -176.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -145.88 -62.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.807 0.304 . . . . 0.0 111.126 177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.562 HD13 ' HG3' ' A' ' 45' ' ' GLN . 1.9 mp -73.43 118.91 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.718 0.294 . . . . 0.0 110.369 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.5 m -127.66 9.98 6.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.197 0.522 . . . . 0.0 110.432 175.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -155.28 155.7 30.23 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.191 -178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.53 -33.28 97.06 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.206 1.937 . . . . 0.0 110.973 173.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 m -57.42 -51.79 67.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.593 177.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 5.9 t70 -61.48 -42.78 99.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.687 -177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.28 -49.33 72.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.003 -179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 57' ' ' ARG . 40.4 mtp85 -70.66 -24.55 62.72 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.807 -177.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -61.35 -50.88 71.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.262 0.553 . . . . 0.0 109.782 170.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.618 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.4 mmtm -58.23 -50.79 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.709 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.2 mt -58.38 -44.68 89.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.622 -177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.605 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 32.5 p -71.11 -41.17 70.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.671 0.272 . . . . 0.0 111.389 -176.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.82 -38.93 76.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.239 -177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 56.2 mt -71.49 -30.74 66.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.156 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.49 -42.49 74.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.379 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' HA ' ' O ' ' A' ' 69' ' ' GLY . 11.8 t70 -62.48 -38.08 88.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.731 177.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.63 -37.36 84.68 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.36 178.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp -66.33 -44.4 83.45 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.562 176.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.34 42.12 0.14 Allowed Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.858 -0.686 . . . . 0.0 112.383 179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.422 ' O ' ' HA ' ' A' ' 65' ' ' ASP . . . -142.3 167.72 26.01 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.815 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.665 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.4 mmmt -117.53 -3.09 11.37 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.61 0.719 . . . . 0.0 109.972 179.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.677 ' HE1' HH12 ' B' ' 57' ' ' ARG . 83.8 m-85 -136.57 155.58 49.74 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.031 179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.561 ' CE2' ' HB2' ' A' ' 24' ' ' GLN . 54.3 p90 -136.95 165.91 24.88 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.04 177.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -146.39 113.35 6.12 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.977 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.3 mt -70.38 126.89 31.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.72 0.295 . . . . 0.0 110.278 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.4 pt -114.11 -24.94 3.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.031 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 87' ' ' VAL . . . -150.77 78.87 1.32 Allowed 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.135 0.493 . . . . 0.0 111.55 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -91.11 92.81 8.86 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 170.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -125.13 141.54 52.05 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.317 0.579 . . . . 0.0 110.832 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.698 ' HB2' ' HE1' ' B' ' 32' ' ' HIS . 22.0 tt0 -92.61 129.15 38.62 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.434 -177.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 12.4 t-160 -116.92 70.09 0.77 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 109.675 -176.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.97 -127.63 10.38 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -175.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -80.92 -9.01 13.18 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 123.044 2.496 . . . . 0.0 111.192 173.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.454 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -94.48 138.08 32.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.635 179.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -111.25 125.36 53.74 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.229 -178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -112.62 107.74 16.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.246 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 42' ' ' ASN . . . -109.78 103.16 11.93 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.75 0.31 . . . . 0.0 110.551 177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 39.6 t -101.74 121.28 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.956 0.408 . . . . 0.0 110.501 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.06 156.22 48.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.197 -178.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.9 mt-10 -101.68 156.95 17.18 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 58.2 t -103.4 125.43 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.254 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.401 ' HE1' ' HB2' ' A' ' 89' ' ' GLU . 54.5 m-85 -123.14 140.64 52.82 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.839 0.352 . . . . 0.0 110.255 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -134.66 -176.04 4.09 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.717 -176.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -60.89 159.0 11.99 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.087 -178.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HA ' HG23 ' A' ' 36' ' ' VAL . . . -72.12 -23.98 61.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.275 -177.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 44.2 p -105.71 123.6 48.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.078 0.466 . . . . 0.0 110.662 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -79.62 121.52 25.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.393 179.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 51.4 tp -72.49 107.97 5.31 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -95.61 166.64 11.74 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.908 -176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -76.98 102.22 6.33 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.317 -176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -79.71 127.64 32.44 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.482 -177.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -147.26 74.76 1.34 Allowed 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.264 0.555 . . . . 0.0 110.63 174.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -114.4 131.89 56.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 171.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.565 ' O ' ' HB2' ' A' ' 104' ' ' HIS . 20.1 t-80 -80.61 -103.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.107 -0.237 . . . . 0.0 110.663 -176.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.565 ' HB2' ' O ' ' A' ' 103' ' ' HIS . 30.6 t-80 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.73 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.792 0.329 . . . . 0.0 110.586 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -106.96 148.97 28.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.13 0.491 . . . . 0.0 111.821 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -75.57 119.39 19.55 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.767 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 10.5 m -109.69 145.69 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.384 0.611 . . . . 0.0 112.061 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.434 ' O ' HG13 ' B' ' 30' ' ' ILE . 74.8 p -90.61 168.08 12.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.554 178.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -55.53 -38.42 69.21 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.37 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.53 HE22 ' HA ' ' A' ' 76' ' ' ALA . 97.4 mt-30 -69.28 -30.89 69.08 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 -176.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.66 -47.87 29.37 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.016 0.436 . . . . 0.0 110.069 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.434 HG13 ' O ' ' B' ' 26' ' ' SER . 64.1 mt -57.68 -46.22 86.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.149 -179.38 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 34.1 t -72.67 -38.93 67.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.539 -175.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . 0.698 ' HE1' ' HB2' ' A' ' 79' ' ' GLU . 3.3 t60 -71.6 -40.93 69.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.611 0.243 . . . . 0.0 111.249 -173.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -93.95 -11.21 31.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.048 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt 60.96 73.57 0.48 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.629 0.581 . . . . 0.0 111.262 -178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.556 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 94.5 mt -81.41 140.24 34.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.75 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.523 HG21 ' HA ' ' B' ' 94' ' ' ALA . 97.0 t -94.44 134.71 31.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.642 -176.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -76.7 115.54 16.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.878 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -88.51 -35.17 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.343 0.592 . . . . 0.0 110.21 178.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 170.96 -158.88 30.7 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.235 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 17.8 m -136.5 140.6 43.15 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.01 136.51 57.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.061 0.458 . . . . 0.0 110.826 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -119.56 118.68 31.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.776 -178.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 84.2 t -101.29 101.33 11.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 24.1 p -107.41 97.75 7.46 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.015 0.436 . . . . 0.0 110.252 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -111.38 145.48 38.83 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.929 -175.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 50.2 m -105.38 106.36 16.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.608 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.52 -153.39 22.08 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.91 177.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.69 64.31 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 121.081 -0.581 . . . . 0.0 112.591 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -83.9 -30.11 26.63 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 174.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.578 ' HA ' ' OD2' ' B' ' 55' ' ' ASP . 1.9 mp -107.23 125.39 63.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.668 176.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 34.9 t -97.37 -50.58 4.48 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.967 0.413 . . . . 0.0 110.924 -179.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.6 m -120.23 160.8 41.93 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.602 -174.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.33 -38.49 88.92 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.515 2.143 . . . . 0.0 111.824 176.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.9 m -63.93 -30.45 71.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.153 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.578 ' OD2' ' HA ' ' B' ' 50' ' ' ILE . 23.7 t0 -72.0 -47.07 54.62 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.325 0.584 . . . . 0.0 110.129 -178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.523 ' HB2' HG21 ' B' ' 50' ' ' ILE . 60.7 tp -62.17 -41.37 98.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.646 173.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.677 HH12 ' HE1' ' A' ' 71' ' ' TYR . 31.0 ttm180 -59.45 -34.09 72.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.712 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -60.32 -53.09 61.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.086 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -39.55 92.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.575 -179.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 77.9 mt -61.44 -44.63 96.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.062 0.458 . . . . 0.0 110.329 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.73 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 38.4 t -66.43 -43.71 84.93 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.21 177.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -61.76 -47.55 84.71 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.932 -177.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 49.8 mt -71.79 -33.15 68.34 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 121.109 -0.236 . . . . 0.0 110.843 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.83 82.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.296 0.569 . . . . 0.0 110.091 175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.11 -37.78 88.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.683 176.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.55 -28.55 67.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.94 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' B' ' 90' ' ' VAL . 65.2 mmtt -74.8 -38.67 62.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 175.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 108.09 34.57 2.72 Favored Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.562 -176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -118.32 163.43 13.01 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 121.044 -0.598 . . . . 0.0 111.723 178.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.472 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 51.0 mtpt -112.32 -15.99 13.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.087 0.47 . . . . 0.0 110.955 -178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.68 157.56 44.53 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.617 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 45.7 p90 -145.12 164.43 31.28 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.943 0.402 . . . . 0.0 110.225 177.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -145.54 114.0 6.71 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.108 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' B' ' 77' ' ' ALA . 59.0 mt -67.55 117.66 9.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 176.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.54 -24.13 4.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.744 0.307 . . . . 0.0 111.012 -178.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -145.82 101.08 3.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.962 0.41 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.473 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -112.01 94.69 5.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 176.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 9.0 ptp180 -118.93 135.26 54.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.39 0.614 . . . . 0.0 111.337 -175.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.545 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 30.4 tt0 -106.04 89.85 3.19 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.352 -0.84 . . . . 0.0 108.905 177.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -97.5 86.24 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.145 0.498 . . . . 0.0 110.573 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.94 -123.18 7.89 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.585 -0.816 . . . . 0.0 111.584 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -84.51 -15.9 6.0 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.74 2.294 . . . . 0.0 111.96 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -92.79 112.44 24.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.032 0.444 . . . . 0.0 110.833 -177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 81.1 t80 -96.24 116.36 28.89 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.555 177.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.461 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 15.8 mm-40 -109.68 107.8 17.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.451 -176.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -107.74 103.33 12.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.982 0.42 . . . . 0.0 110.534 177.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.546 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 48.1 t -103.91 117.33 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -129.96 152.27 49.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.451 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -101.43 143.12 31.84 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.5 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.481 HG21 ' HG3' ' B' ' 67' ' ' LYS . 45.5 t -97.9 128.28 49.45 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.381 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.556 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 39.1 m-85 -122.08 152.94 39.3 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.395 0.617 . . . . 0.0 111.162 -179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -146.21 -177.4 5.59 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 174.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.438 ' HB3' HG22 ' B' ' 95' ' ' THR . 22.7 t70 -81.33 172.09 14.0 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.523 ' HA ' HG21 ' B' ' 36' ' ' VAL . . . -65.76 -26.34 67.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.032 0.444 . . . . 0.0 110.669 178.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.438 HG22 ' HB3' ' B' ' 93' ' ' ASP . 14.6 t -71.23 163.4 27.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.519 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' B' ' 96' ' ' LYS . 4.6 ptpp? -171.36 -176.78 1.94 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.588 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -98.48 110.05 22.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -173.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -93.78 169.14 10.53 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 170.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 55.3 m-70 -65.65 -26.62 67.88 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 121.207 -0.197 . . . . 0.0 111.524 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 70.2 t60 64.21 82.97 0.17 Allowed 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.675 0.609 . . . . 0.0 110.699 173.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -131.33 101.66 5.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.189 0.519 . . . . 0.0 111.867 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -123.37 105.9 10.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 169.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -81.02 104.84 11.79 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.155 -170.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.244 176.424 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.525 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.79 156.7 16.97 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.064 0.459 . . . . 0.0 111.85 -174.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.9 111.6 24.18 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.593 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 29.2 m -117.02 151.5 18.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.74 0.305 . . . . 0.0 111.322 -175.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -93.96 174.5 7.13 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 176.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -59.69 -27.17 66.19 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.94 0.4 . . . . 0.0 110.775 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.501 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 11.8 mt-30 -57.94 -51.74 68.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.482 176.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.593 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 3.0 mp0 -69.29 -37.2 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.375 -178.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.519 HG23 ' HB2' ' A' ' 35' ' ' LEU . 77.7 mt -59.8 -51.7 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.027 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -72.7 -34.44 67.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.37 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 1.8 t-160 -73.45 -46.12 50.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.759 -0.201 . . . . 0.0 111.067 -175.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -92.84 -6.85 47.9 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm 67.37 85.04 0.15 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.578 0.549 . . . . 0.0 110.793 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' HB2' HG23 ' A' ' 30' ' ' ILE . 80.0 mt -106.44 136.79 45.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.34 0.591 . . . . 0.0 111.229 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -97.93 125.25 51.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.013 -175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -69.28 119.53 13.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.942 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.0 t -94.99 -41.01 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.007 176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -177.82 -158.19 20.23 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.026 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 68.8 m -141.89 139.19 32.52 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.5 pt -120.78 152.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.078 0.466 . . . . 0.0 110.734 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -135.96 125.86 25.82 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.341 176.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.47 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 93.2 t -101.76 101.02 11.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 175.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 84' ' ' PHE . 15.8 m -119.56 91.65 3.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.507 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -118.23 156.18 29.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.384 -176.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.4 m -85.67 36.41 0.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.102 0.477 . . . . 0.0 111.514 -175.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 170.59 47.0 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.721 -0.752 . . . . 0.0 111.73 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.59 -51.01 3.64 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.414 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -69.22 -19.38 63.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.972 0.415 . . . . 0.0 110.66 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.489 HG12 HD13 ' A' ' 56' ' ' LEU . 4.5 mp -128.99 93.67 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 172.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 p -114.74 7.98 16.02 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.785 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.498 ' HB3' ' HB2' ' A' ' 55' ' ' ASP . 34.0 t -165.45 151.93 8.95 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.7 -176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.06 -34.73 88.28 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.439 2.092 . . . . 0.0 111.475 172.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.0 t -71.54 -42.18 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.706 177.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' HB2' ' HB3' ' A' ' 52' ' ' SER . 26.9 t0 -56.92 -42.01 79.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.064 178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.489 HD13 HG12 ' A' ' 50' ' ' ILE . 68.1 tp -65.94 -46.85 76.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.076 -0.965 . . . . 0.0 111.336 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.5 mtp180 -68.03 -26.44 65.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.146 -177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.58 -45.93 90.63 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 39.1 mmtm -59.15 -47.06 86.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.755 176.319 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.1 mt -59.27 -46.67 87.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.525 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 56.3 m -62.3 -45.26 94.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.943 0.401 . . . . 0.0 111.047 179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.93 -46.89 85.63 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.38 -177.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 42.3 mt -72.1 -31.25 65.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.84 -178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.11 -38.63 79.02 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.862 0.363 . . . . 0.0 110.95 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -70.13 -31.69 69.34 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.258 179.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.7 -31.72 72.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.697 175.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -75.0 -47.85 27.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.444 176.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.96 47.36 0.24 Allowed Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.983 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -138.98 166.56 25.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.052 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -116.57 -20.63 9.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.24 0.543 . . . . 0.0 110.634 -178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -121.95 146.73 46.85 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.713 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -136.41 157.03 47.76 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 173.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -134.13 117.39 16.51 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.448 177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.3 mt -68.92 114.85 6.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.764 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 36.8 pt -98.2 -21.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.734 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.21 115.17 2.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 178.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -107.15 86.64 2.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 9.6 ptm85 -105.61 165.74 10.95 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.277 -170.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -123.4 99.9 6.56 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.604 -176.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 45.6 t-80 -91.96 59.76 3.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.354 -173.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.429 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.12 -116.21 5.18 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.901 178.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.429 ' HD3' ' HA3' ' A' ' 81' ' ' GLY . 6.5 Cg_exo -74.67 -20.37 17.76 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.863 2.376 . . . . 0.0 112.206 177.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -107.06 120.69 42.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.912 0.387 . . . . 0.0 111.04 -178.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.43 ' O ' ' HA ' ' A' ' 44' ' ' SER . 89.0 t80 -84.16 130.63 34.83 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.47 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 26.6 mt-10 -120.47 109.86 15.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.126 0.488 . . . . 0.0 111.374 -175.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.464 ' CB ' HD11 ' A' ' 56' ' ' LEU . . . -105.21 111.97 24.92 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.005 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 29.3 t -102.41 123.83 55.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.342 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.68 154.68 45.49 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.267 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 22.9 mt-10 -102.17 154.18 19.25 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.106 177.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 62.0 t -106.01 124.57 61.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.524 -177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 67.0 m-85 -120.85 147.21 45.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.85 -178.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -140.18 -172.25 3.37 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -97.49 151.09 20.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.855 0.36 . . . . 0.0 110.493 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.91 -8.28 53.49 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -174.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 36.5 m -67.36 -6.09 17.38 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 98' ' ' GLU . 66.6 tttp -57.9 -38.86 76.59 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 174.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.6 mt 56.41 30.67 17.38 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.16 174.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.535 ' HB2' ' HG2' ' A' ' 96' ' ' LYS . 8.1 tm-20 -79.88 6.72 10.41 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.562 0.696 . . . . 0.0 110.313 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -79.92 14.31 1.85 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.732 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -117.92 13.99 14.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 174.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -122.56 4.26 9.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.794 -169.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -96.08 103.72 15.62 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.265 0.555 . . . . 0.0 111.571 -175.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.0 m80 -138.72 98.91 3.67 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.384 177.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 17.6 t60 . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.927 -0.558 . . . . 0.0 110.112 -176.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.699 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.64 0.257 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -115.54 162.63 16.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.448 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.437 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 4.7 tt0 -95.34 130.13 42.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.837 0.351 . . . . 0.0 110.299 178.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 12.7 m -123.18 149.54 27.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.324 177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.438 ' HB3' ' HG2' ' B' ' 28' ' ' GLN . 19.9 t -99.99 179.01 4.63 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -63.88 -22.4 66.9 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.538 0.208 . . . . 0.0 110.537 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.438 ' HG2' ' HB3' ' B' ' 26' ' ' SER . 1.7 mm100 -59.92 -40.87 90.33 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' B' ' 26' ' ' SER . 2.2 mp0 -88.18 -47.6 8.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.659 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.521 HG12 HD12 ' B' ' 35' ' ' LEU . 78.2 mt -55.59 -46.44 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.791 -176.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -78.41 -21.79 48.73 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' B' ' 28' ' ' GLN . 3.0 t60 -81.63 -46.64 14.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.346 -177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -89.98 -12.17 39.49 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.43 -177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 62.77 78.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.158 0.504 . . . . 0.0 111.145 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.521 HD12 HG12 ' B' ' 30' ' ' ILE . 97.6 mt -89.65 146.0 24.84 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.792 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 45.4 t -93.74 130.37 42.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.229 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -77.87 128.69 34.36 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.895 0.378 . . . . 0.0 110.714 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.78 -34.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.638 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.79 -160.76 31.87 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.985 -0.626 . . . . 0.0 111.798 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.502 HG23 ' HG2' ' B' ' 89' ' ' GLU . 26.9 m -133.77 139.29 46.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.3 pt -118.31 153.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.942 0.401 . . . . 0.0 110.452 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -137.42 118.99 14.89 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.45 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 57.4 t -101.45 100.5 10.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 176.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 14.9 t -111.14 109.33 19.34 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -118.73 136.84 53.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.268 -176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 32.7 m -96.49 86.75 4.22 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.433 0.635 . . . . 0.0 109.879 -178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.87 -178.94 16.77 Favored Glycine 0 N--CA 1.44 -1.06 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.826 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.47 59.44 4.63 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.227 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -64.87 -48.91 72.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.07 0.462 . . . . 0.0 110.006 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' B' ' 56' ' ' LEU . 3.8 mp -81.49 99.07 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.499 176.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 12.9 p -89.48 -24.02 21.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.14 -178.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.404 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 53.1 m -149.24 158.46 38.45 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.129 -179.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 11.2 Cg_endo -54.93 -30.08 67.15 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.032 2.488 . . . . 0.0 112.875 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 43.0 t -59.28 -48.38 81.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.643 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 30.7 t70 -63.44 -41.8 98.66 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.434 179.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.447 ' HB2' HG21 ' B' ' 50' ' ' ILE . 64.5 tp -56.48 -48.48 77.05 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.677 178.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -61.53 -41.93 98.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.384 178.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -59.99 -43.98 94.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.101 -179.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' B' ' 55' ' ' ASP . 0.0 OUTLIER -60.1 -54.08 50.21 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.063 0.459 . . . . 0.0 109.833 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 52.9 mt -60.45 -46.87 88.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.798 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.699 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 35.7 t -60.28 -48.24 82.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.798 -179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -57.42 -44.39 84.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.038 0.447 . . . . 0.0 110.613 -177.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 76.3 mt -74.47 -38.39 62.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.837 -177.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.43 -48.72 63.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.698 0.285 . . . . 0.0 111.111 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.92 -28.63 70.2 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.574 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -72.1 -41.31 67.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.778 176.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.1 mmtt -64.21 -33.9 76.86 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.061 0.457 . . . . 0.0 110.335 176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.88 17.6 6.8 Favored Glycine 0 N--CA 1.444 -0.833 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.503 178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.16 124.63 5.04 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.8 mttm -96.74 10.75 37.84 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.019 0.377 . . . . 0.0 112.019 -173.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -127.03 135.78 51.29 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -144.62 163.79 32.89 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.916 177.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.422 ' HD2' HG22 ' B' ' 75' ' ' ILE . 49.6 t60 -140.65 121.68 14.65 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.671 175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.51 HG21 ' HB2' ' B' ' 77' ' ' ALA . 16.2 mt -72.71 108.71 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 177.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.474 HD13 ' HG3' ' B' ' 89' ' ' GLU . 41.7 pt -97.69 -9.16 9.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.774 0.321 . . . . 0.0 111.063 -176.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.567 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -156.31 90.37 1.18 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 176.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -99.25 86.84 3.5 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -108.41 154.78 21.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.337 0.589 . . . . 0.0 111.134 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -104.77 112.73 25.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.362 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.535 ' HB2' ' HG2' ' B' ' 85' ' ' GLU . 16.2 t-160 -97.07 43.09 1.07 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 -172.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.408 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 74.3 -112.25 3.69 Favored Glycine 0 N--CA 1.448 -0.528 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.408 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 7.1 Cg_exo -74.94 -16.82 20.14 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.637 2.224 . . . . 0.0 111.531 172.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.454 ' HB2' ' HB3' ' B' ' 80' ' ' HIS . 3.4 m-20 -101.71 168.47 9.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.385 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -135.59 134.18 39.07 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.287 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' B' ' 80' ' ' HIS . 24.2 mm-40 -122.03 115.25 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.242 -177.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -119.32 102.9 9.02 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.013 0.435 . . . . 0.0 110.694 177.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.567 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 42.8 t -99.52 125.21 53.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.165 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.12 146.74 43.19 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.634 -178.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.502 ' HG2' HG23 ' B' ' 40' ' ' THR . 20.7 mt-10 -102.08 146.51 27.82 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.333 177.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 98.5 t -100.0 126.02 53.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.373 -174.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 70.4 m-85 -120.11 150.43 40.61 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.031 174.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -145.29 171.67 14.25 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.929 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' B' ' 95' ' ' THR . 22.7 t70 -65.32 155.84 34.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.73 174.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.02 30.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -177.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.4 ' H ' ' C ' ' B' ' 93' ' ' ASP . 21.1 m -63.77 -40.75 97.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.145 0.498 . . . . 0.0 110.338 178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -110.27 103.13 11.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.972 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 91.8 mt -107.68 -22.26 12.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.3 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 65.69 4.79 3.01 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.121 -0.945 . . . . 0.0 112.091 177.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -81.91 69.8 8.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.339 0.59 . . . . 0.0 110.536 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 5.8 m170 -166.69 -45.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.739 -1.119 . . . . 0.0 108.538 176.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -129.13 80.69 1.98 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.275 179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -132.68 92.42 3.06 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -123.87 137.65 54.61 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -171.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.3 t60 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.247 -0.883 . . . . 0.0 108.953 172.411 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.693 0.283 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 36.1 mm-40 -105.68 147.48 28.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.213 -177.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.2 tt0 -99.72 112.53 24.76 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.671 171.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -102.32 132.71 47.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.579 -179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.511 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 16.5 m -98.32 -176.53 3.43 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.684 -178.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.0 ptpt -59.24 -25.29 63.92 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.49 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.52 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 25.7 mp0 -69.03 -45.39 70.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.919 0.39 . . . . 0.0 110.595 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.511 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.3 mp0 -80.74 -48.03 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -175.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 26' ' ' SER . 63.8 mt -55.12 -49.46 71.78 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 120.716 0.293 . . . . 0.0 111.542 -174.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.8 m -68.68 -24.8 64.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.472 -177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 31.9 t-80 -84.81 -33.37 22.95 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.264 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -101.14 -5.09 26.12 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? 58.62 48.67 11.41 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.428 0.455 . . . . 0.0 110.662 -178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 ' HB2' HG23 ' A' ' 30' ' ' ILE . 95.7 mt -67.51 133.2 49.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.312 -176.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.04 126.05 39.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.493 -177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -84.61 121.85 28.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.006 0.431 . . . . 0.0 110.535 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -82.95 -50.39 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -178.63 161.32 27.76 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.104 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.6 m -94.06 135.01 35.88 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.642 0.258 . . . . 0.0 110.685 178.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -111.73 146.65 16.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.346 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -122.32 111.57 17.06 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.061 -177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 58.5 t -101.51 100.91 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.4 p -121.76 98.73 6.09 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.736 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.9 mm-40 -124.18 158.05 33.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.319 -174.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 4.7 m -82.84 33.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.457 -176.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.34 -172.85 55.11 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.194 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 72.69 -65.52 1.42 Allowed Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.211 -0.519 . . . . 0.0 112.645 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' C ' HD12 ' A' ' 50' ' ' ILE . 16.5 mt-30 -64.42 -18.17 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 0.0 110.699 179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 3.8 mp -132.28 102.44 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 169.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.3 m -120.74 -27.13 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.237 0.541 . . . . 0.0 110.385 178.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.3 t -132.97 159.87 70.93 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.417 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.464 ' HD3' ' CE2' ' B' ' 33' ' ' PHE . 71.1 Cg_exo -50.34 -30.67 27.39 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 122.87 2.38 . . . . 0.0 112.933 177.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -61.92 -43.86 97.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.939 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 45.7 m-20 -63.25 -38.29 90.58 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.331 0.586 . . . . 0.0 109.734 179.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.5 tp -64.91 -51.53 61.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.236 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -58.21 -42.58 86.52 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.426 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -47.5 -66.02 0.47 Allowed 'General case' 0 C--N 1.33 -0.264 0 O-C-N 123.963 0.789 . . . . 0.0 111.422 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.621 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 62.0 mttp -70.5 -38.65 74.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.361 -173.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.01 -39.34 91.92 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.021 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.8 p -79.58 -33.73 41.42 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.363 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -63.66 -49.24 73.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.415 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 39.3 mt -68.71 -33.42 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.409 -179.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.31 -41.74 89.28 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.202 0.525 . . . . 0.0 110.269 176.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.66 -38.73 92.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.161 176.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.01 -35.91 81.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.212 177.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.21 -41.68 76.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.064 0.459 . . . . 0.0 110.751 176.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 117.06 36.35 1.04 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.136 -179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -126.96 171.34 18.6 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.972 -0.633 . . . . 0.0 111.633 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -122.57 -2.77 8.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.156 0.503 . . . . 0.0 111.021 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.509 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 38.1 m-85 -129.3 144.26 51.16 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.692 -179.064 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 52.6 p90 -132.51 153.95 50.43 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 175.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -143.02 109.22 5.27 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.608 -177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.436 HG21 ' HB2' ' A' ' 77' ' ' ALA . 59.2 mt -71.55 124.36 27.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 176.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 28.4 pt -102.96 -29.68 2.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.781 0.324 . . . . 0.0 110.496 176.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.83 97.11 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.316 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.436 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -102.69 83.2 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 172.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -105.28 160.14 15.34 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.863 -172.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -113.56 106.68 14.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.984 -179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 52.6 t60 -102.27 57.31 0.8 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.511 0.672 . . . . 0.0 109.771 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.435 ' HA3' ' HD3' ' A' ' 82' ' ' PRO . . . 74.02 -117.03 5.51 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 115.485 -0.779 . . . . 0.0 112.184 176.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.467 ' O ' ' HA ' ' A' ' 46' ' ' SER . 11.2 Cg_exo -72.19 -14.46 28.65 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.979 2.453 . . . . 0.0 111.968 178.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -115.43 112.24 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.034 0.445 . . . . 0.0 111.002 -178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -85.54 126.03 33.54 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 175.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -112.0 107.92 17.06 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.948 0.404 . . . . 0.0 110.66 -176.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.552 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -110.61 103.41 11.99 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.319 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 25.5 t -97.37 119.09 44.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.857 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -131.31 151.73 51.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.058 0.456 . . . . 0.0 110.97 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -103.8 136.22 43.89 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.176 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 76.1 t -89.84 124.16 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 175.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.445 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 78.2 m-85 -118.17 148.01 42.78 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.021 0.439 . . . . 0.0 110.295 177.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.53 163.08 34.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.668 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -79.04 172.67 13.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.96 0.41 . . . . 0.0 110.747 -175.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -85.79 46.65 1.34 Allowed 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.33 -2.64 54.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.996 0.427 . . . . 0.0 111.117 175.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -75.4 106.4 6.92 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 48.9 tp -78.59 134.87 37.17 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.886 -174.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.33 146.0 29.64 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.312 178.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 9.0 p80 -79.28 88.02 4.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.973 0.892 . . . . 0.0 109.261 171.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 16.1 t60 -94.27 -10.11 33.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.234 -173.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -116.83 171.78 7.67 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.333 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -122.2 120.76 35.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.67 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -89.9 145.19 25.32 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.463 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.3 t60 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.619 -0.705 . . . . 0.0 110.356 177.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' B' ' 71' ' ' TYR . 5.1 mp0 -97.51 147.23 24.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.438 -177.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.529 ' HG2' ' CE1' ' B' ' 72' ' ' TYR . 0.0 OUTLIER -99.76 109.37 21.81 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 174.167 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.33 175.79 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.655 -0.248 . . . . 0.0 110.914 -174.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -113.66 173.87 6.2 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 120.679 -0.409 . . . . 0.0 110.206 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -60.04 -18.17 44.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.608 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -66.64 -44.73 81.19 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.757 0.313 . . . . 0.0 110.322 -177.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -73.56 -38.03 65.34 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.06 -46.05 97.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.72 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 52.2 p -78.56 -36.1 45.08 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -174.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -66.53 -42.67 86.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.701 0.286 . . . . 0.0 110.65 -177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.464 ' CE2' ' HD3' ' A' ' 53' ' ' PRO . 82.1 m-85 -92.88 -10.81 35.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.259 -178.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp 58.6 77.14 0.31 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.307 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 92.6 mt -86.61 150.63 24.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.679 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 46.8 t -88.81 119.01 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.179 -179.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -73.43 124.4 25.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.818 0.342 . . . . 0.0 110.319 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 51.5 t -94.14 -44.45 13.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.833 -177.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 178.35 -158.15 22.61 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.104 -177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 16.0 m -133.27 136.7 45.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.446 HD13 ' HB2' ' B' ' 64' ' ' ALA . 17.2 pt -111.49 126.59 68.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.007 0.432 . . . . 0.0 110.501 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -113.77 114.81 26.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.367 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 74.6 t -101.74 105.99 18.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.869 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 12.2 p -121.46 92.93 3.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.149 0.499 . . . . 0.0 110.118 178.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -116.98 155.26 29.46 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.825 -175.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 47.4 m -77.83 59.99 2.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.089 0.471 . . . . 0.0 111.711 -177.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.12 -70.31 2.37 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.837 -0.619 . . . . 0.0 114.238 173.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -76.17 48.74 2.48 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 115.027 0.771 . . . . 0.0 115.027 -168.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -136.67 -22.49 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.999 0.428 . . . . 0.0 109.945 170.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.408 ' HA ' ' CB ' ' B' ' 55' ' ' ASP . 4.9 mp -130.22 108.18 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -113.81 -22.72 10.03 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.144 0.497 . . . . 0.0 110.651 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.554 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 79.3 p -139.5 167.35 19.04 Favored Pre-proline 0 N--CA 1.449 -0.485 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 -177.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.554 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 13.4 Cg_endo -57.92 -25.4 69.59 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.697 2.265 . . . . 0.0 112.004 175.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -62.37 -49.45 75.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.041 175.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.408 ' CB ' ' HA ' ' B' ' 50' ' ' ILE . 22.5 m-20 -64.92 -38.17 90.07 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.619 178.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.9 tp -56.91 -59.12 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.627 178.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 45.3 ttp85 -62.04 -34.38 76.14 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.24 -0.184 . . . . 0.0 111.196 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -58.0 -53.85 53.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.987 0.422 . . . . 0.0 110.653 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.452 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 15.2 tppt? -66.92 -42.36 85.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.548 -178.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.43 ' CD1' HD11 ' B' ' 74' ' ' ILE . 88.0 mt -64.13 -46.45 84.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.554 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 66.4 m -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.787 -0.188 . . . . 0.0 110.838 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.33 -49.26 78.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.563 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 52.2 mt -70.64 -46.81 62.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.149 -178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . 0.446 ' HB2' HD13 ' B' ' 41' ' ' ILE . . . -63.0 -40.5 97.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.49 -176.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -70.6 -32.47 69.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.321 -178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.42 -33.99 76.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.503 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 75.6 mmtt -70.6 -31.13 68.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 175.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.46 36.19 2.91 Favored Glycine 0 N--CA 1.446 -0.676 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.896 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -117.81 152.27 17.68 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 121.037 -0.602 . . . . 0.0 111.931 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -110.68 -29.99 7.78 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.125 0.488 . . . . 0.0 110.484 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' B' ' 23' ' ' GLU . 81.0 m-85 -125.6 139.89 53.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.61 -177.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.529 ' CE1' ' HG2' ' B' ' 24' ' ' GLN . 47.5 p90 -139.75 160.87 38.91 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 120.751 0.31 . . . . 0.0 110.314 176.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.458 ' HA ' ' OE1' ' B' ' 24' ' ' GLN . 78.2 t60 -128.9 127.68 42.28 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.726 178.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.477 HD13 ' HB2' ' B' ' 88' ' ' ALA . 45.0 mm -69.6 120.8 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.393 175.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.0 pt -109.56 -17.26 8.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.932 0.396 . . . . 0.0 110.395 176.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -154.18 126.26 7.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.708 178.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.52 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -133.75 49.71 2.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 176.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' B' ' 78' ' ' ARG . 11.5 ptp180 -84.57 146.13 27.69 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.531 -171.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -97.47 88.37 4.37 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 176.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -83.44 69.0 9.96 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.523 -172.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . 0.475 ' HA3' ' HD3' ' B' ' 82' ' ' PRO . . . 73.83 -121.33 7.19 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.642 -0.789 . . . . 0.0 111.649 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.475 ' HD3' ' HA3' ' B' ' 81' ' ' GLY . 1.9 Cg_endo -85.09 6.52 5.65 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.444 2.762 . . . . 0.0 111.847 175.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -124.67 123.32 39.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.462 -178.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -90.86 123.12 34.14 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 175.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -110.89 107.69 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.037 0.446 . . . . 0.0 110.87 -177.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.541 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.62 107.79 17.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.831 176.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.2 t -109.47 124.26 66.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.842 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.477 ' HB2' HD13 ' B' ' 74' ' ' ILE . . . -131.09 152.39 50.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.012 -178.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -101.49 124.77 47.7 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.486 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 48.1 t -90.88 126.57 43.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.354 -174.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -124.16 149.39 46.35 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.264 0.554 . . . . 0.0 110.896 178.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.424 ' OD1' ' HE2' ' B' ' 96' ' ' LYS . 23.5 t-20 -129.33 150.36 50.72 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.536 -0.756 . . . . 0.0 108.998 177.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -66.6 157.03 33.44 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.554 -0.165 . . . . 0.0 110.554 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.78 82.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.432 0.634 . . . . 0.0 110.664 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 10.8 p -124.54 7.88 8.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.914 -176.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.424 ' HE2' ' OD1' ' B' ' 92' ' ' ASN . 4.5 mptp? -91.88 113.18 25.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.137 -175.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 62.2 tp -82.26 111.86 18.73 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 173.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -59.16 145.14 43.63 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 -178.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -81.38 72.01 8.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.832 0.825 . . . . 0.0 110.114 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 -127.71 43.49 3.12 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.417 -176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 71.1 m-70 -134.64 139.73 45.52 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.349 -177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -106.32 119.1 38.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.762 178.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 52.4 m-70 -73.62 -23.02 59.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.32 0.581 . . . . 0.0 109.755 176.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.251 1.166 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.094 177.904 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.592 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.795 0.331 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 34.5 mt-10 -113.2 166.81 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.92 -176.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -109.06 139.51 43.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.513 0.197 . . . . 0.0 110.621 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.431 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.9 m -132.97 165.47 32.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.734 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.534 ' HB2' ' OE1' ' A' ' 29' ' ' GLU . 50.1 m -92.8 170.97 9.29 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 176.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 30' ' ' ILE . 60.9 tttm -68.25 -11.81 59.98 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.072 0.463 . . . . 0.0 110.59 -173.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.43 -42.76 34.87 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.346 177.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.534 ' OE1' ' HB2' ' A' ' 26' ' ' SER . 3.0 mp0 -65.86 -39.18 90.48 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.425 -0.584 . . . . 0.0 109.425 179.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 35' ' ' LEU . 69.2 mt -58.21 -44.67 88.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.694 177.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.2 m -75.34 -35.03 61.25 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.465 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.578 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 31.0 t60 -79.49 -42.64 24.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 111.356 -175.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -88.99 -11.83 43.18 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.997 -178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm 62.87 78.99 0.27 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 121.443 0.64 . . . . 0.0 111.005 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD12 HG12 ' A' ' 30' ' ' ILE . 76.3 mt -94.86 144.74 25.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.336 -179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.6 t -99.06 126.56 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.032 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -74.19 132.03 41.81 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.129 0.49 . . . . 0.0 111.091 -178.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.26 -42.04 12.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.81 176.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.53 -169.19 41.61 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.338 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -121.87 136.37 54.93 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.2 pt -112.84 148.43 15.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.064 0.459 . . . . 0.0 111.117 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 87' ' ' VAL . 17.2 m120 -131.31 122.3 26.19 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.36 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 52.0 t -101.23 100.7 10.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 174.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.8 t -104.94 117.7 34.69 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.811 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' OE1' ' HB2' ' A' ' 49' ' ' GLN . 37.3 mt-30 -113.48 156.65 23.15 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.183 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.458 ' HA ' ' ND2' ' A' ' 83' ' ' ASN . 15.6 m -85.57 -9.98 56.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.322 0.582 . . . . 0.0 109.686 172.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.05 141.46 6.19 Favored Glycine 0 N--CA 1.448 -0.5 0 CA-C-N 115.715 -0.675 . . . . 0.0 113.156 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.23 -10.22 64.34 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 121.234 -0.507 . . . . 0.0 114.211 172.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' HB2' ' OE1' ' A' ' 45' ' ' GLN . 77.5 mt-30 -68.5 -59.63 3.01 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 117.079 0.439 . . . . 0.0 111.171 -176.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.586 HD13 ' HA ' ' A' ' 56' ' ' LEU . 61.2 mt -83.15 133.36 29.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.727 0.299 . . . . 0.0 110.279 176.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.7 p -116.04 -58.09 2.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.956 -177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.1 p -102.77 163.45 17.55 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.408 -0.182 . . . . 0.0 110.915 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_exo -57.1 -36.48 99.22 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 122.454 2.103 . . . . 0.0 111.718 175.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 20.1 m -65.72 -38.7 89.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.375 177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 24.7 t70 -68.33 -41.08 81.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.948 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 ' HA ' HD13 ' A' ' 50' ' ' ILE . 61.4 tp -59.94 -49.62 76.96 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.604 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -60.37 -35.49 75.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.801 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -70.4 -36.93 74.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.021 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 59' ' ' LYS . 26.9 mmtt -65.95 -39.06 90.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.969 0.414 . . . . 0.0 110.759 176.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.11 -44.43 84.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.92 176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 43.5 t -60.99 -45.46 94.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.464 176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -50.22 -55.27 15.97 Favored 'General case' 0 C--N 1.331 -0.232 0 O-C-N 123.442 0.464 . . . . 0.0 110.952 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.603 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 67.8 mt -69.76 -46.83 64.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.478 -176.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.23 -42.86 92.97 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.723 -176.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' SER . 2.8 t70 -65.94 -34.47 78.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.642 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -40.72 78.47 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.481 -0.782 . . . . 0.0 111.14 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.603 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 73.3 mmtt -59.07 -48.25 82.27 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.054 0.454 . . . . 0.0 110.334 178.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.35 31.02 0.49 Allowed Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.002 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -121.57 142.5 15.31 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.784 -0.722 . . . . 0.0 111.586 179.565 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.552 ' HD2' ' OD1' ' A' ' 93' ' ' ASP . 83.1 mttt -90.53 -19.83 23.34 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.045 0.45 . . . . 0.0 110.32 -178.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 86.7 m-85 -135.32 163.13 30.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.226 -177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -152.41 163.14 40.1 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.186 176.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.406 ' HB2' HD11 ' A' ' 30' ' ' ILE . 85.6 t60 -133.3 122.55 24.02 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.245 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.546 HG22 HE21 ' B' ' 28' ' ' GLN . 56.4 mt -72.02 114.53 10.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 38.2 pt -102.23 -26.16 3.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.93 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -160.15 85.57 0.74 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 120.884 0.374 . . . . 0.0 111.744 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.569 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -92.89 89.48 6.59 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 170.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -108.32 157.05 18.72 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.418 0.628 . . . . 0.0 111.57 -168.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -97.78 133.32 42.46 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.299 178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -128.13 70.84 1.36 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.235 0.54 . . . . 0.0 110.142 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.05 -125.69 9.09 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.429 -0.891 . . . . 0.0 110.927 -176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.44 -19.54 13.08 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.756 2.304 . . . . 0.0 110.651 170.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 46' ' ' SER . 15.0 m120 -84.84 157.12 21.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.484 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -131.38 129.49 41.41 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -120.5 109.94 15.89 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.374 0.421 . . . . 0.0 110.628 -179.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.572 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -105.23 109.04 20.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.52 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG22 ' ND2' ' A' ' 42' ' ' ASN . 18.7 t -100.43 119.3 48.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.322 178.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -137.18 148.52 46.62 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.429 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -101.85 138.37 38.91 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.7 t -94.5 131.02 42.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.805 -176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.458 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 93.3 m-85 -128.02 144.52 51.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.581 0.705 . . . . 0.0 111.699 -177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -126.67 136.39 52.42 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 175.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.552 ' OD1' ' HD2' ' A' ' 70' ' ' LYS . 11.8 p-10 -77.13 69.42 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.46 0.647 . . . . 0.0 111.708 -172.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 71.9 -21.14 0.23 Allowed 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.015 -0.993 . . . . 0.0 112.7 175.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 96' ' ' LYS . 2.7 m 68.04 -177.68 0.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -175.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.637 ' H ' HG22 ' A' ' 95' ' ' THR . 0.5 OUTLIER -81.25 -10.31 59.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.794 -0.566 . . . . 0.0 111.755 179.504 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mp 61.67 11.62 4.07 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.849 0.46 . . . . 0.0 111.509 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.636 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 0.9 OUTLIER -100.47 91.4 4.67 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 -179.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -82.97 89.55 6.9 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.686 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -79.08 -27.07 42.98 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.972 -176.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -106.05 112.67 25.81 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.471 176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -100.75 165.09 11.55 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.485 -177.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -177.93 139.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 171.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.101 -179.423 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.658 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 120.751 0.31 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -103.59 159.0 15.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.66 -174.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.487 ' HG3' ' HA ' ' B' ' 73' ' ' HIS . 10.4 tt0 -103.12 128.71 49.94 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.167 173.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.507 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 24.5 m -121.67 153.28 25.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.455 176.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 83.9 p -96.48 -178.56 4.32 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.529 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -57.68 -26.58 61.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.334 -174.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.546 HE21 HG22 ' A' ' 74' ' ' ILE . 1.3 mp0 -70.38 -40.22 74.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.214 -176.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 2.9 mp0 -73.65 -43.34 59.75 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.422 HG12 HD12 ' B' ' 35' ' ' LEU . 69.9 mt -57.15 -44.87 84.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.934 -179.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -71.97 -34.7 69.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.468 -177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -77.72 -48.18 17.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.97 0.414 . . . . 0.0 110.829 -176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -82.94 -9.14 59.44 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.481 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 61.94 48.26 5.39 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.454 0.471 . . . . 0.0 110.45 176.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.5 mt -63.83 141.73 58.66 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.509 -176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.91 134.76 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.921 178.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 47.0 tttp -73.23 126.83 30.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.811 0.338 . . . . 0.0 110.589 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 62.0 t -95.63 -42.82 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.343 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.24 28.71 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.742 -178.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 28.1 m -137.24 130.0 30.28 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.0 pt -111.15 141.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.021 0.438 . . . . 0.0 110.752 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -134.43 116.12 14.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.667 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.432 HG11 HD11 ' B' ' 50' ' ' ILE . 21.9 t -101.23 100.91 11.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 5.5 p -119.4 108.12 14.18 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.819 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.645 ' NE2' ' HD2' ' B' ' 84' ' ' PHE . 0.1 OUTLIER -123.43 171.96 9.06 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.342 -177.567 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.69 ' HA ' ' ND2' ' B' ' 83' ' ' ASN . 14.8 t -83.67 -27.8 28.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.47 -171.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.16 156.97 7.3 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.631 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.71 24.3 76.36 Favored Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -177.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.82 -55.65 2.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.432 HD11 HG11 ' B' ' 43' ' ' VAL . 56.9 mt -111.97 126.74 69.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.747 177.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' B' ' 55' ' ' ASP . 80.6 p -136.66 -19.2 1.38 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.908 -174.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 90.0 p -150.67 166.67 14.59 Favored Pre-proline 0 N--CA 1.449 -0.496 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -173.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.38 -27.14 56.63 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.208 1.939 . . . . 0.0 112.304 175.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 9.8 m -63.61 -56.53 15.12 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 120.762 0.315 . . . . 0.0 111.192 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' B' ' 51' ' ' SER . 0.5 OUTLIER -71.15 -35.65 71.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.961 -179.447 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 60.8 tp -60.75 -52.42 65.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.813 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 8.4 ttp85 -57.12 -36.99 71.34 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.325 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.4 -58.85 6.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.909 0.385 . . . . 0.0 110.877 179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -66.63 -32.64 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.976 -176.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.2 mt -65.96 -49.87 66.34 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.837 0.351 . . . . 0.0 110.421 177.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.658 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 21.8 t -64.64 -38.36 90.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.226 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -56.72 -52.0 66.68 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.933 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.86 -36.16 64.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.641 -176.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.04 -41.14 99.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.0 0.428 . . . . 0.0 110.818 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -66.76 -36.62 82.85 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.743 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -69.02 -29.46 67.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -75.56 -30.86 59.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.95 0.405 . . . . 0.0 110.503 175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.85 34.48 4.03 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.255 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -122.76 161.49 16.95 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.895 -0.669 . . . . 0.0 111.725 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -102.38 -23.78 13.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.826 0.346 . . . . 0.0 110.784 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -129.51 157.56 41.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -173.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.471 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 30.4 p90 -151.6 168.83 23.72 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.972 175.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.487 ' HA ' ' HG3' ' B' ' 24' ' ' GLN . 54.7 t-80 -147.03 124.87 11.91 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 175.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.539 HG21 ' HB2' ' B' ' 77' ' ' ALA . 66.1 mt -69.69 126.06 29.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.201 179.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 41.8 pt -107.53 -18.78 7.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.547 178.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.487 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -152.19 96.53 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.288 179.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.539 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -102.22 67.7 1.06 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 173.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 26.8 ptt180 -103.52 146.69 28.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.207 -170.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.578 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 15.4 tt0 -99.98 116.24 31.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 174.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -105.72 85.26 2.2 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.681 -173.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.91 -129.84 12.23 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -78.42 -15.32 14.11 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.639 2.226 . . . . 0.0 111.274 172.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . 0.69 ' ND2' ' HA ' ' B' ' 46' ' ' SER . 16.5 m120 -89.08 155.28 19.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.827 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.645 ' HD2' ' NE2' ' B' ' 45' ' ' GLN . 82.4 t80 -121.9 130.94 53.75 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 176.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -122.37 111.51 16.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.612 -177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -105.09 108.24 19.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.535 177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 21.4 t -105.56 123.47 59.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 178.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.66 150.8 50.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.983 0.421 . . . . 0.0 111.096 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -101.66 128.44 47.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.653 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 43.7 t -95.33 131.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.012 -175.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.452 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 97.5 m-85 -130.6 158.33 40.29 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.636 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -144.07 143.96 31.4 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -73.4 154.48 40.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.92 95.1 1.13 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.184 0.516 . . . . 0.0 111.208 -175.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . 0.749 HG23 ' HG3' ' B' ' 96' ' ' LYS . 12.2 t -154.67 -173.03 4.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.512 178.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' B' ' 95' ' ' THR . 29.7 mtpp 60.79 37.69 18.58 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.464 0.477 . . . . 0.0 110.425 -178.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.44 HD22 ' H ' ' B' ' 97' ' ' LEU . 2.9 mm? -64.06 -35.24 80.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.063 -179.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -72.48 92.24 1.45 Allowed 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.076 175.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -82.0 112.99 19.59 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 171.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -69.79 -2.42 12.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.878 0.37 . . . . 0.0 111.625 -169.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 36.1 t60 -140.43 108.44 5.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 174.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -88.66 149.98 23.25 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 -140.18 165.01 28.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.854 0.359 . . . . 0.0 111.026 -177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.57 -0.729 . . . . 0.0 109.248 174.373 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.463 ' HA ' ' O ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 13.8 tp10 -98.98 162.9 12.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.269 -176.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.512 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 9.6 tt0 -107.21 134.51 50.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.929 0.395 . . . . 0.0 110.902 178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 15.2 m -128.36 151.03 34.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.222 174.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.469 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 20.5 t -94.7 175.99 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.911 0.386 . . . . 0.0 110.437 -177.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.76 -17.66 50.19 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.507 -175.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -75.78 -46.48 30.5 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.331 178.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 25' ' ' VAL . 2.6 mp0 -73.73 -41.43 62.53 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.293 -177.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD11 ' HB2' ' A' ' 73' ' ' HIS . 93.3 mt -55.31 -45.1 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.359 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 t -84.22 -23.93 30.27 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 -176.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -73.18 -44.18 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.825 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -94.62 -15.31 24.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.505 179.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 34' ' ' LYS . 3.6 tppp? 64.24 85.19 0.14 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.95 -179.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.98 161.35 15.93 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 47.2 t -98.91 109.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.426 -177.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -73.61 133.8 43.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.987 0.422 . . . . 0.0 110.407 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 68' ' ' GLY . 64.2 t -104.19 -50.63 9.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.375 179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -164.88 -158.58 10.5 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.705 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -139.14 137.08 35.8 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.9 pt -114.57 147.35 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.027 0.442 . . . . 0.0 111.252 -177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -134.42 121.78 21.6 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.993 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.01 108.29 24.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.979 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 11.1 p -108.42 91.52 3.68 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 171.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -124.27 158.83 31.59 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.652 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.8 t -77.44 144.06 38.1 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.19 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -59.47 146.86 43.43 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.673 -0.571 . . . . 0.0 111.673 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -38.23 3.22 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.575 -175.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -70.3 -43.62 70.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.526 HD13 ' HA ' ' A' ' 56' ' ' LEU . 23.7 mt -121.6 113.61 39.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.855 174.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 46.9 m -130.1 -24.59 2.6 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.859 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.0 t -114.36 150.91 44.55 Favored Pre-proline 0 N--CA 1.448 -0.572 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.77 -26.34 47.03 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.717 2.278 . . . . 0.0 111.906 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 p -63.82 -45.7 88.41 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.083 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' HB2' HG23 ' A' ' 50' ' ' ILE . 26.5 m-20 -59.58 -46.54 88.62 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.702 0.763 . . . . 0.0 109.223 177.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.526 ' HA ' HD13 ' A' ' 50' ' ' ILE . 42.2 tp -61.78 -47.77 83.68 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.548 -1.206 . . . . 0.0 110.925 -177.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.3 ttt180 -56.55 -38.56 72.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 -178.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.17 -46.98 75.47 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.193 -179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.3 mmtt -64.86 -40.18 94.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.784 0.326 . . . . 0.0 111.089 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 85.7 mt -65.7 -44.13 87.1 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.879 179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 68.2 p -63.9 -33.3 75.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.56 0.219 . . . . 0.0 111.103 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -64.04 -53.48 49.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.887 0.375 . . . . 0.0 110.178 177.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.2 mt -65.87 -34.78 78.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 -178.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.26 -41.21 90.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 178.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -70.38 -36.86 74.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.387 . . . . 0.0 110.423 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.11 -44.27 83.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.918 178.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -85.54 -37.57 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.048 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG21 ' A' ' 38' ' ' VAL . . . 118.17 68.6 0.35 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.26 174.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.25 149.24 21.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.507 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 98.4 mttt -94.28 -28.73 15.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.116 0.484 . . . . 0.0 110.328 178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.426 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 77.3 m-85 -125.9 147.62 49.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.638 -174.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.512 ' CE1' ' HB2' ' A' ' 24' ' ' GLN . 54.2 p90 -127.73 156.78 41.88 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.124 175.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.48 ' HB2' HD11 ' A' ' 30' ' ' ILE . 13.9 t-80 -134.65 108.0 7.79 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.223 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.84 121.41 23.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.153 0.501 . . . . 0.0 110.771 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 33.2 pt -106.96 -11.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.382 178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -159.86 133.04 6.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.54 177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -144.89 79.04 1.58 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 78' ' ' ARG . 9.8 ptp180 -94.65 147.71 23.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.708 -171.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' B' ' 32' ' ' HIS . 34.8 tt0 -99.05 90.29 4.56 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 173.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -86.49 50.32 1.97 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.625 -174.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.06 -118.3 5.94 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.552 -0.619 . . . . 0.0 111.552 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -77.8 -1.59 11.76 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.772 2.315 . . . . 0.0 112.189 175.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -112.9 135.22 53.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.473 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -113.87 120.77 41.87 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -114.83 111.41 21.18 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.933 0.397 . . . . 0.0 110.556 -177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -111.41 119.6 39.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.581 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 9.6 t -111.7 119.75 60.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.663 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.31 153.7 51.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.938 0.399 . . . . 0.0 111.341 -177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 72' ' ' TYR . 34.5 mt-10 -101.68 138.65 38.39 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.587 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.9 t -99.72 121.97 51.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.009 -176.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -121.04 136.79 54.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.252 0.549 . . . . 0.0 110.862 179.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -107.35 155.29 20.15 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.69 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.445 ' CB ' ' HD2' ' A' ' 70' ' ' LYS . 26.8 t70 -93.24 79.44 4.48 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.592 -178.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 64.87 6.99 3.64 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.501 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.9 m 70.55 125.3 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.198 0.523 . . . . 0.0 111.225 -178.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -73.25 -31.09 63.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.429 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.5 mt 62.31 -172.17 0.16 Allowed 'General case' 0 N--CA 1.468 0.435 0 O-C-N 123.374 0.421 . . . . 0.0 111.281 -178.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.08 -166.2 0.14 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 121.754 0.787 . . . . 0.0 112.545 177.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' HB3' ' H ' ' A' ' 100' ' ' HIS . 20.4 m80 -131.34 -159.5 0.97 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.984 -1.007 . . . . 0.0 108.801 173.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.421 ' H ' ' HB3' ' A' ' 99' ' ' HIS . 29.8 t-80 69.25 4.81 4.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 111.023 178.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -96.61 7.34 46.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.17 0.51 . . . . 0.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -128.94 -67.73 0.77 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 26.4 p80 -172.95 146.19 1.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.886 176.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.351 -0.833 . . . . 0.0 109.415 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.611 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.045 0.45 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -118.91 157.14 28.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.11 -175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 49.0 tt0 -99.41 126.27 45.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.699 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -118.16 165.76 13.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.468 -177.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 t -99.04 171.82 7.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.157 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.35 -27.36 64.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.065 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.415 ' O ' ' HB2' ' B' ' 32' ' ' HIS . 24.3 mp0 -64.17 -31.08 72.14 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.74 177.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.24 -39.93 46.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.128 0.49 . . . . 0.0 110.008 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 73.3 mt -60.49 -44.46 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.928 178.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.475 ' O ' ' HE3' ' B' ' 34' ' ' LYS . 44.6 p -77.17 -21.61 53.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . 0.57 ' CE1' ' HB2' ' A' ' 79' ' ' GLU . 15.2 t60 -79.18 -51.98 8.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.578 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -89.43 -5.55 57.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 -176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' HE3' ' O ' ' B' ' 31' ' ' SER . 30.0 mmtp 57.62 53.37 7.33 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.346 0.593 . . . . 0.0 110.735 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.579 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 89.7 mt -69.71 148.2 49.55 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.921 -177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 55.2 t -96.62 132.79 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.064 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -78.95 109.78 13.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.344 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.6 -35.83 26.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.196 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 176.89 -167.62 39.08 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.667 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 12.1 m -124.22 145.69 49.19 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.9 pt -118.11 134.8 60.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.893 0.378 . . . . 0.0 110.082 175.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -132.85 112.2 11.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.375 -174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.592 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 46.2 t -103.68 101.06 11.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 175.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 16.2 m -103.25 97.82 7.84 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.486 ' HG2' HG12 ' B' ' 43' ' ' VAL . 84.2 mm-40 -123.08 159.81 27.69 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.128 -178.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 19.4 m -75.64 164.3 26.45 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.784 -0.451 . . . . 0.0 109.784 175.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.48 73.92 0.43 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 121.458 -0.401 . . . . 0.0 112.457 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.61 -35.3 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.736 -0.545 . . . . 0.0 111.736 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.823 ' HA ' HE21 ' B' ' 49' ' ' GLN . 0.0 OUTLIER -70.19 -44.18 69.23 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.927 0.394 . . . . 0.0 110.453 177.123 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.537 HG23 ' HB2' ' B' ' 55' ' ' ASP . 52.3 mt -108.64 124.6 65.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.598 175.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 3.9 p -118.86 -43.0 2.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.355 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.496 ' HB2' ' HD2' ' B' ' 53' ' ' PRO . 88.5 p -117.03 165.06 16.37 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.406 -179.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.496 ' HD2' ' HB2' ' B' ' 52' ' ' SER . 18.8 Cg_endo -60.15 -17.58 46.58 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.486 2.124 . . . . 0.0 112.039 174.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 8.4 t -66.78 -48.14 69.95 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.537 ' HB2' HG23 ' B' ' 50' ' ' ILE . 9.7 m-20 -61.68 -38.98 89.8 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.358 0.599 . . . . 0.0 109.529 177.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.05 -56.82 16.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.599 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -60.7 -43.91 97.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 178.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -53.49 -51.34 63.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.475 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 0.2 OUTLIER -64.56 -46.84 81.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.422 -179.255 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.03 -40.29 94.62 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.277 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 t -62.99 -42.23 99.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.858 0.361 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -67.71 -44.05 78.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.661 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 85.3 mt -68.17 -37.71 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.215 -178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.18 -37.73 88.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.886 0.374 . . . . 0.0 110.592 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.49 -33.96 75.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.206 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.67 -32.1 69.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.939 177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -76.58 -24.79 53.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.592 176.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.98 35.47 6.74 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.215 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -111.92 165.06 12.06 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.873 -0.679 . . . . 0.0 111.685 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.611 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 98.7 mttt -99.77 -51.85 3.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.164 0.507 . . . . 0.0 110.655 -179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -117.27 139.95 50.17 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.118 -173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.408 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 45.2 p90 -124.27 149.04 46.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.009 0.433 . . . . 0.0 110.05 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -127.8 114.49 17.31 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' B' ' 77' ' ' ALA . 56.2 mt -66.17 122.02 16.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.901 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 30.8 pt -103.54 -21.43 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 120.942 0.401 . . . . 0.0 110.417 178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -144.28 101.58 3.72 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.928 179.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.526 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -109.58 86.58 2.32 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 172.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.545 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 10.2 ptm85 -132.46 160.14 37.3 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.72 -169.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.11 127.41 56.2 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.179 -0.919 . . . . 0.0 108.885 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -115.01 75.71 0.95 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -175.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.58 -118.38 5.77 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.766 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -83.78 -0.7 9.79 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.863 2.375 . . . . 0.0 112.314 178.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -120.75 158.75 26.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.842 -176.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -120.02 135.53 54.89 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.545 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 32.2 mt-10 -114.18 112.84 23.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.819 0.342 . . . . 0.0 110.55 -177.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.592 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.85 103.02 11.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.133 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.551 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 40.3 t -113.75 119.28 60.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.253 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.73 153.56 51.61 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.822 -178.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -102.05 135.94 42.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 46.6 t -96.68 125.05 49.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.436 -178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.579 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 85.3 m-85 -120.48 149.42 42.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 112.22 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -131.29 163.1 28.56 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.858 -1.064 . . . . 0.0 108.436 174.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -52.47 -49.33 64.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.382 0.611 . . . . 0.0 109.805 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -164.46 -74.59 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.739 -1.119 . . . . 0.0 109.375 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 90.5 m -160.72 123.67 3.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.57 177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -88.87 113.1 24.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.079 0.466 . . . . 0.0 110.274 178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 65.6 mt -88.91 -6.18 57.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.842 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -66.85 110.36 3.27 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.247 -177.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.28 -23.82 20.03 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 174.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -74.68 -10.96 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.313 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -90.68 7.5 39.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.146 177.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -114.66 171.97 7.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.583 176.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.38 177.73 8.36 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 175.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 . . . . . 0 C--O 1.243 0.742 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 177.54 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -111.79 157.6 20.36 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.318 -178.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -98.56 121.6 40.7 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.55 -177.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 25.8 m -125.33 156.28 34.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.784 179.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.513 ' H ' ' CD ' ' A' ' 29' ' ' GLU . 32.8 t -99.87 177.49 5.1 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-O 121.025 0.44 . . . . 0.0 110.059 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -57.1 -33.34 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.289 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.448 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 24.6 mp0 -68.98 -38.36 79.29 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.319 -176.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 26' ' ' SER . 3.0 mp0 -71.99 -41.89 67.12 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.447 HG23 ' HB2' ' A' ' 35' ' ' LEU . 68.5 mt -57.05 -46.9 84.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.538 178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -73.46 -33.01 64.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.613 -175.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -81.8 -37.54 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.412 -176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -89.18 -8.5 53.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.728 -0.214 . . . . 0.0 111.403 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp 62.39 49.95 3.94 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.58 0.55 . . . . 0.0 110.685 177.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' HB2' HG23 ' A' ' 30' ' ' ILE . 90.6 mt -67.06 140.07 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.222 -178.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -88.71 126.8 41.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.845 -177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -75.76 117.13 17.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.949 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.6 t -97.11 -49.25 12.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.881 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -166.24 -170.15 30.77 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.493 -0.861 . . . . 0.0 112.527 -175.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 28.0 m -129.91 139.65 51.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.4 pt -129.19 128.65 67.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.021 0.439 . . . . 0.0 110.743 178.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 87' ' ' VAL . 41.5 m-20 -110.68 118.88 37.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.924 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.1 t -101.35 100.69 10.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 CA-C-O 121.012 0.434 . . . . 0.0 109.918 177.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.453 ' HB3' ' HG2' ' A' ' 85' ' ' GLU . 8.5 p -115.73 105.01 12.25 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.295 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 82.8 mm-40 -131.89 151.74 51.5 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.441 -179.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.2 m -75.04 161.04 29.79 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.46 176.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.75 104.02 0.28 Allowed Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.161 176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.98 -39.44 0.68 Allowed Glycine 0 N--CA 1.447 -0.593 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 73.9 mm-40 -76.28 -70.61 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 109.938 175.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 56' ' ' LEU . 25.0 mm -80.63 63.33 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.546 0.688 . . . . 0.0 109.815 178.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.9 p -84.81 -38.65 19.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.901 177.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.5 m -118.86 149.65 47.0 Favored Pre-proline 0 N--CA 1.446 -0.632 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.853 178.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -57.18 -24.97 61.84 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.566 2.178 . . . . 0.0 111.598 177.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.3 m -62.16 -31.1 71.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.223 177.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -83.35 -39.47 20.68 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.533 ' HA ' HD12 ' A' ' 50' ' ' ILE . 61.9 tp -57.19 -50.68 72.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.528 177.216 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -66.17 -30.68 71.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -62.66 -51.88 65.53 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.59 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 13.4 mptt -55.82 -53.69 53.66 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.728 176.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.9 mt -57.69 -42.84 84.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.534 -177.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.669 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 13.5 t -70.75 -37.21 73.41 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.81 0.338 . . . . 0.0 110.663 -179.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.68 -47.74 71.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.498 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 52.7 mt -67.6 -32.5 73.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.45 81.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.039 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -68.21 -40.38 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.229 0.538 . . . . 0.0 109.93 176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.9 66.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.479 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -94.73 -32.27 13.41 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.919 0.39 . . . . 0.0 110.92 177.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.49 56.64 1.09 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.083 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.32 162.82 24.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.247 -0.501 . . . . 0.0 111.88 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -106.27 -26.45 11.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.793 0.33 . . . . 0.0 111.168 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -129.47 152.19 49.27 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.398 -176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -130.59 154.73 47.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.848 0.356 . . . . 0.0 110.139 176.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -145.06 112.88 6.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.536 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.459 HG21 ' HB2' ' A' ' 77' ' ' ALA . 60.3 mt -71.33 119.59 17.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.939 176.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 29.8 pt -97.93 -30.33 3.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -145.55 106.69 4.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.98 -179.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -116.93 113.23 22.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 177.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 78' ' ' ARG . 10.6 ptp180 -135.13 145.67 48.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.368 0.604 . . . . 0.0 111.368 -176.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -104.89 97.0 6.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.054 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -96.56 86.81 4.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.105 0.478 . . . . 0.0 110.386 -175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -122.26 7.52 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.542 -0.837 . . . . 0.0 111.573 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -85.42 -7.36 8.86 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 122.718 2.279 . . . . 0.0 112.891 178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -111.6 128.88 56.18 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-O 120.929 0.395 . . . . 0.0 111.218 -178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -101.38 123.15 44.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.418 175.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HB3' ' A' ' 44' ' ' SER . 34.4 mt-10 -112.83 114.59 27.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.984 0.421 . . . . 0.0 110.818 -179.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.13 109.21 20.13 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.103 176.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.4 HG13 ' OD1' ' A' ' 42' ' ' ASN . 62.5 t -93.94 116.82 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.693 179.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -126.57 153.94 44.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.194 -177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -101.67 142.31 33.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.828 177.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.1 t -97.95 119.68 46.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.852 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.415 ' HB3' ' HB3' ' A' ' 35' ' ' LEU . 78.0 m-85 -118.04 147.46 43.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.228 0.537 . . . . 0.0 111.038 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -132.56 -179.43 5.45 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 176.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -90.65 172.5 8.63 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 -178.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.34 8.83 0.92 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.6 p -79.49 9.11 5.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.237 0.541 . . . . 0.0 110.703 177.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.6 -27.5 27.07 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.2 174.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 54.8 tp -70.04 -26.45 64.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.32 -178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -88.51 151.65 22.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.077 0.465 . . . . 0.0 111.608 -174.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.0 30.37 6.93 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.427 0.632 . . . . 0.0 109.769 178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 -75.07 80.51 2.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.341 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -151.16 71.66 1.02 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 121.349 0.595 . . . . 0.0 111.436 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 74.6 m-70 -114.03 -77.38 0.58 Allowed 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 106.471 -1.678 . . . . 0.0 106.471 165.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -112.19 -34.79 5.82 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 157.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-N 113.75 -1.568 . . . . 0.0 108.692 168.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.6 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.56 170.36 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.873 0.368 . . . . 0.0 111.033 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -92.04 140.94 29.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.029 -177.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.98 146.33 33.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.471 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.312 174.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.429 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 17.0 t -93.21 174.59 7.14 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.038 0.447 . . . . 0.0 109.924 177.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -64.94 -24.66 67.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.052 -173.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.69 -41.43 83.65 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.228 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.429 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.2 mp0 -73.34 -39.81 64.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.306 -177.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.462 HG12 HD12 ' B' ' 35' ' ' LEU . 69.7 mt -57.17 -45.25 84.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.797 178.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 13.4 p -79.53 -23.69 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.351 -177.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -75.33 -44.13 47.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.697 0.284 . . . . 0.0 110.773 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -96.19 -7.66 35.13 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.463 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 mppt? 57.18 69.24 0.76 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.283 0.563 . . . . 0.0 110.267 -175.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.462 HD12 HG12 ' B' ' 30' ' ' ILE . 88.6 mt -77.07 138.4 39.53 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.454 -176.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 93.1 t -91.98 124.18 44.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.53 179.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -79.17 133.05 36.72 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.225 0.536 . . . . 0.0 110.977 -176.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 47.0 t -90.1 -38.97 11.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.184 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.85 -177.55 46.09 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.817 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.56 HG23 ' HG2' ' B' ' 89' ' ' GLU . 23.2 m -116.56 130.3 56.67 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -112.87 146.14 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.986 0.422 . . . . 0.0 110.828 -178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -122.59 114.33 20.48 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 88.4 t -101.68 103.11 14.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.217 -0.447 . . . . 0.0 109.841 175.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 41.3 m -117.08 107.27 14.31 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.83 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 23.5 mm-40 -118.37 134.71 54.82 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.613 -174.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 7.5 t -89.16 115.86 26.98 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.953 0.406 . . . . 0.0 110.263 -178.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.43 29.59 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.512 176.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.22 44.29 3.33 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.558 -173.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.83 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 14.4 mm100 -92.61 -4.19 53.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.426 0.631 . . . . 0.0 109.863 173.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.521 HD11 ' HG3' ' B' ' 59' ' ' LYS . 30.6 mm -131.67 89.11 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 114.781 -1.1 . . . . 0.0 108.06 169.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 5.5 m -75.53 -58.6 3.19 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.928 -174.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.481 ' HB3' ' HD2' ' B' ' 53' ' ' PRO . 15.3 m -112.42 165.49 12.92 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.621 -176.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.481 ' HD2' ' HB3' ' B' ' 52' ' ' SER . 12.2 Cg_endo -57.85 -23.73 60.54 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.337 2.024 . . . . 0.0 111.128 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 21.0 t -67.74 -36.44 80.55 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.315 176.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -65.04 -43.34 92.68 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.135 0.493 . . . . 0.0 109.832 177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 57.5 tp -61.76 -46.53 89.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.035 176.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -58.61 -46.21 87.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.533 178.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -55.41 -56.47 19.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.046 177.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 18.5 mmtp -54.57 -47.51 73.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.636 -177.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 94.1 mt -66.34 -43.68 85.4 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.09 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.6 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 43.0 t -67.69 -41.15 84.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.589 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -61.45 -46.53 89.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 -178.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 71.0 mt -69.08 -38.29 78.92 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.451 -178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.83 -36.46 80.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.804 178.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -60.07 -44.94 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.631 177.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.36 75.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.9 mmtt -77.26 -24.24 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.889 0.376 . . . . 0.0 110.957 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.43 41.19 5.21 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.812 -0.708 . . . . 0.0 111.967 -178.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.441 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -113.27 151.93 18.15 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.913 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -90.46 -31.21 16.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.889 0.376 . . . . 0.0 110.624 -179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -132.23 164.01 27.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.35 -175.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -137.96 152.81 49.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.007 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -132.73 116.78 17.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.577 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 64.0 mt -70.84 127.07 32.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.029 176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.29 -26.79 3.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 120.736 0.303 . . . . 0.0 110.854 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -154.73 95.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.885 0.374 . . . . 0.0 111.329 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.448 ' HB3' ' HB3' ' A' ' 28' ' ' GLN . . . -113.69 108.03 16.57 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 174.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -134.21 162.15 32.95 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.213 0.53 . . . . 0.0 111.352 -173.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -102.02 101.68 12.09 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.023 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -100.62 85.96 3.03 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.271 -173.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.9 -123.72 8.17 Favored Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.614 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -85.07 -7.35 9.25 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.69 2.26 . . . . 0.0 112.05 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.77 150.0 26.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.182 -176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -109.19 124.77 51.38 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 173.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -117.38 108.3 15.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.974 0.416 . . . . 0.0 110.728 -174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -110.17 105.86 15.1 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.463 178.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 44.0 t -98.42 117.93 44.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.918 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -132.87 153.17 51.59 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.232 -178.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.56 ' HG2' HG23 ' B' ' 40' ' ' THR . 22.7 mt-10 -111.95 138.84 48.02 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.808 0.337 . . . . 0.0 110.221 178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.441 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 47.6 t -90.24 131.78 36.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.52 -175.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.459 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 82.6 m-85 -125.51 147.53 49.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.488 0.661 . . . . 0.0 111.502 -178.249 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -138.88 -175.04 4.01 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -98.55 -178.06 3.88 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 118.373 0.533 . . . . 0.0 109.657 176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -72.43 -10.83 60.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.751 0.648 . . . . 0.0 112.751 -172.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.1 m -84.97 82.21 8.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.938 0.399 . . . . 0.0 110.225 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 1.6 tmmt? -160.26 30.09 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.461 0.648 . . . . 0.0 109.682 -178.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 49.4 tp -125.44 -10.27 6.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.688 0.756 . . . . 0.0 109.773 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 19.8 mp0 -72.01 141.15 49.33 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.996 -1.002 . . . . 0.0 110.49 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -82.99 77.2 9.75 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -145.6 103.7 3.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.664 -174.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -177.39 104.72 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.626 169.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -95.46 -84.2 0.35 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -106.69 -25.47 11.74 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 160.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 . . . . . 0 C--O 1.249 1.056 0 CA-C-N 113.906 -1.497 . . . . 0.0 108.103 169.761 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.597 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.478 0.969 0 CA-C-O 120.633 0.254 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.78 157.35 22.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.842 0.353 . . . . 0.0 110.478 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.544 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 10.0 tt0 -99.85 125.51 45.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.187 0.518 . . . . 0.0 111.599 -176.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 29' ' ' GLU . 24.9 m -119.77 155.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.77 176.597 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 30' ' ' ILE . 5.0 m -93.55 170.8 9.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -59.37 -27.5 66.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.735 0.302 . . . . 0.0 110.865 -178.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.472 ' HB3' ' HB3' ' B' ' 77' ' ' ALA . 0.9 OUTLIER -56.49 -47.52 79.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.141 177.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 26' ' ' SER . 2.6 mp0 -73.27 -45.26 56.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.32 177.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.516 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.7 mt -53.86 -54.63 18.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-N 115.714 -0.675 . . . . 0.0 112.154 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.1 m -79.3 -16.72 55.93 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.717 0.266 . . . . 0.0 111.717 -174.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -82.19 -46.98 13.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 110.415 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -85.71 -5.84 59.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.703 -178.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 64.51 66.61 0.6 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.578 176.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.516 ' HB2' HG23 ' A' ' 30' ' ' ILE . 87.7 mt -86.12 153.88 21.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.882 -179.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 52.5 t -105.96 139.46 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.098 179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -79.27 117.91 20.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.818 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.5 t -84.01 -34.64 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.395 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.78 175.26 36.79 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.476 -0.65 . . . . 0.0 111.476 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.0 m -113.33 130.35 56.29 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.8 pt -112.17 135.33 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.121 0.486 . . . . 0.0 111.26 -178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -114.35 114.65 26.18 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.015 178.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' HB ' ' HB3' ' A' ' 86' ' ' ALA . 97.3 t -101.08 100.43 10.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 176.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 p -115.6 105.73 13.11 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.234 0.54 . . . . 0.0 110.034 176.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.572 ' HB3' ' HB2' ' A' ' 49' ' ' GLN . 32.8 mm-40 -117.16 133.34 56.11 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.285 -178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 83' ' ' ASN . 21.3 t -84.0 127.11 33.65 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.917 0.389 . . . . 0.0 110.255 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.99 -149.69 31.49 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.799 -0.637 . . . . 0.0 113.337 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.97 41.01 2.99 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.309 -0.472 . . . . 0.0 113.794 -173.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' HB2' ' HB3' ' A' ' 45' ' ' GLN . 15.2 mm100 -63.66 -46.02 87.53 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 171.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' ASP . 2.0 mp -107.27 111.58 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 114.969 -1.014 . . . . 0.0 108.837 172.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -125.69 -38.24 2.25 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.312 0.577 . . . . 0.0 109.959 179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 47.0 t -99.81 152.5 37.83 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.353 176.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.29 -30.34 26.01 Favored 'Trans proline' 0 C--N 1.35 0.632 0 C-N-CA 122.498 2.132 . . . . 0.0 111.589 172.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.5 t -59.7 -52.91 63.47 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.035 177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' CB ' ' HA ' ' A' ' 50' ' ' ILE . 46.7 m-20 -55.66 -47.84 76.04 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.252 0.549 . . . . 0.0 110.298 -178.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.3 tp -59.18 -58.89 6.64 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.624 -176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 57' ' ' ARG . 21.6 mtp180 -76.78 -23.62 52.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.279 -170.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -72.65 -35.21 67.71 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.447 -0.501 . . . . 0.0 111.022 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -71.27 -38.75 71.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.031 0.444 . . . . 0.0 109.825 176.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.4 mt -61.48 -47.77 84.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.37 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.4 t -64.94 -39.51 93.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.429 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -55.6 -52.5 63.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.591 178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.439 ' O ' ' HG2' ' A' ' 67' ' ' LYS . 86.4 mt -67.93 -37.54 81.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.239 -179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.34 81.75 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.386 -179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -29.24 66.42 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 178.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.39 -39.41 81.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.879 0.371 . . . . 0.0 110.65 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.439 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 74.0 mmtt -66.69 -44.36 81.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.386 177.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 118.76 40.05 0.68 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.176 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -127.42 157.16 20.75 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.53 178.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -98.23 -22.71 16.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.248 0.547 . . . . 0.0 110.618 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 91' ' ' TYR . 6.4 m-85 -122.91 158.36 30.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.83 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.544 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 37.3 p90 -152.95 166.33 32.72 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 172.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.543 ' HA ' ' HG3' ' A' ' 24' ' ' GLN . 19.4 t-80 -151.2 127.64 10.7 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.846 177.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.4 mt -71.28 122.52 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.12 176.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.4 pt -102.27 -20.73 5.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.986 0.422 . . . . 0.0 110.346 177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.83 131.45 8.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.418 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -141.32 103.27 4.39 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 78' ' ' ARG . 5.0 ptp180 -138.03 154.01 49.33 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.518 0.675 . . . . 0.0 112.249 -171.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -90.49 125.66 35.66 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 166.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -131.7 88.16 2.54 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.0 0.429 . . . . 0.0 109.852 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.01 -128.85 11.21 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.073 -178.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -88.76 13.46 2.5 Favored 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 122.82 2.346 . . . . 0.0 112.34 175.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 53.1 m-80 -126.81 144.46 50.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.172 0.51 . . . . 0.0 111.202 -178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -104.39 121.82 44.19 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -113.17 118.22 34.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 0.0 111.57 -175.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' HB3' ' HB ' ' A' ' 43' ' ' VAL . . . -117.98 111.6 19.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.553 -0.748 . . . . 0.0 110.015 175.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.63 122.69 59.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.181 -178.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -136.86 152.81 50.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 -178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -105.73 140.17 39.19 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 175.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.4 t -94.16 136.33 25.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.771 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.626 ' HB2' ' HB2' ' A' ' 71' ' ' TYR . 74.3 m-85 -127.72 157.27 40.8 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.999 0.428 . . . . 0.0 110.939 -178.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -145.58 173.23 12.23 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -72.91 164.53 26.5 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.28 77.59 3.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.05 0.452 . . . . 0.0 110.813 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.515 HG23 ' HG3' ' A' ' 96' ' ' LYS . 12.3 t -166.29 178.92 5.93 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.535 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' A' ' 95' ' ' THR . 41.6 mtpt 60.81 34.98 19.6 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-O 121.075 0.464 . . . . 0.0 110.947 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.5 mt -73.29 138.68 45.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.017 177.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -64.47 129.6 40.5 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.416 -176.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -124.81 121.97 36.08 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.8 -173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.56 17.05 9.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.897 -177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -70.87 122.54 20.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.961 0.41 . . . . 0.0 110.856 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -98.98 -43.83 6.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.655 -174.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -78.99 72.96 5.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.382 -170.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.654 -0.688 . . . . 0.0 109.541 174.751 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.555 ' HA ' ' O ' ' B' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.478 0.926 0 CA-C-O 120.839 0.352 . . . . 0.0 110.684 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -114.01 139.02 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.385 -176.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -93.62 119.06 32.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.428 ' HB ' ' HB2' ' B' ' 29' ' ' GLU . 19.2 m -118.54 154.37 20.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.874 -179.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -91.86 172.62 8.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.179 0.514 . . . . 0.0 111.465 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -57.71 -33.55 68.52 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.792 -176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.473 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 22.7 mp0 -68.55 -39.41 81.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.869 0.366 . . . . 0.0 110.536 179.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.428 ' HB2' ' HB ' ' B' ' 25' ' ' VAL . 42.2 mt-10 -67.84 -47.06 70.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.015 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.518 HG23 ' HB2' ' B' ' 35' ' ' LEU . 77.7 mt -54.79 -46.98 74.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.094 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -67.85 -28.43 67.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.685 -176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -86.81 -39.01 16.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.93 -0.308 . . . . 0.0 110.759 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -84.29 -5.75 59.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.088 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' B' ' 94' ' ' ALA . 74.8 mmtt 61.53 39.5 14.71 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.958 175.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.775 ' HB3' ' HB3' ' B' ' 91' ' ' TYR . 92.8 mt -63.15 137.77 58.33 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.712 -175.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.9 t -92.97 128.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.938 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.2 tttm -80.5 112.84 18.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.162 0.506 . . . . 0.0 111.145 -175.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.0 t -81.9 -34.68 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.416 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.7 -168.29 41.39 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.816 -0.706 . . . . 0.0 111.655 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 40.2 m -129.86 122.3 28.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.873 0.368 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 pt -98.08 153.04 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.378 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -141.1 132.2 26.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.109 0.481 . . . . 0.0 110.162 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 23.1 t -112.59 100.92 11.71 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.379 176.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 36.5 t -102.31 106.54 17.35 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.512 ' HG3' HG12 ' B' ' 50' ' ' ILE . 82.5 mm-40 -118.52 111.21 18.33 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 33.7 m -76.62 105.67 7.82 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.481 178.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.16 -173.47 23.3 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.367 179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.86 48.29 3.48 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.228 -0.51 . . . . 0.0 113.251 -176.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -78.43 -26.32 46.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.523 HG23 ' HB2' ' B' ' 55' ' ' ASP . 49.4 mm -109.42 103.68 15.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 169.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.7 p -98.23 -41.71 7.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -172.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 15.6 t -114.61 155.76 45.64 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.094 -176.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.04 -23.94 30.59 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.644 2.229 . . . . 0.0 111.72 172.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 17.1 m -60.15 -45.42 93.13 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.247 174.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.523 ' HB2' HG23 ' B' ' 50' ' ' ILE . 21.3 m-20 -67.2 -36.55 81.97 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.142 0.496 . . . . 0.0 110.297 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.5 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 50.1 tp -58.78 -58.81 6.96 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.689 177.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.472 ' HA ' HD12 ' B' ' 60' ' ' LEU . 58.6 mtp85 -69.74 -21.17 63.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.464 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.29 -55.63 23.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.375 174.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' B' ' 43' ' ' VAL . 4.7 mptt -66.88 -31.95 72.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.226 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 95.3 mt -63.12 -49.35 74.74 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.578 176.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 22.6 p -69.77 -37.0 76.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.607 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -57.58 -48.58 78.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.358 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 80.3 mt -75.23 -37.53 61.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.428 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.51 -52.66 63.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.535 0.207 . . . . 0.0 111.193 -179.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.59 -34.1 76.31 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.79 178.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.55 91.27 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.871 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -65.58 -36.2 83.06 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.15 3.15 27.97 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.8 -0.714 . . . . 0.0 111.945 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.431 ' HA3' ' CG1' ' B' ' 90' ' ' VAL . . . -100.92 115.69 5.37 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.555 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 37.3 mtpt -69.25 -31.21 69.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -175.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -108.08 143.9 36.17 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.577 -174.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -145.28 153.63 41.5 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.023 0.44 . . . . 0.0 110.589 177.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . 0.429 ' HB2' HD11 ' B' ' 30' ' ' ILE . 12.5 t-80 -133.78 120.05 20.01 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.893 176.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . 0.494 HG21 ' HB2' ' B' ' 77' ' ' ALA . 61.0 mt -65.82 124.92 21.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.147 176.389 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 29.2 pt -104.48 -25.09 3.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.471 176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -155.85 88.26 1.11 Allowed 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.784 179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.494 ' HB2' HG21 ' B' ' 74' ' ' ILE . . . -94.33 92.27 7.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 169.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.534 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 2.6 ptm85 -125.1 154.15 41.85 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.958 0.885 . . . . 0.0 112.549 -166.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -111.08 111.7 22.97 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.157 178.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 19.5 t-80 -115.03 86.53 2.47 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.242 -175.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.13 -121.08 6.92 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -85.01 -12.4 7.1 Favored 'Trans proline' 0 N--CA 1.454 -0.832 0 C-N-CA 122.582 2.188 . . . . 0.0 111.699 172.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -87.89 134.37 33.72 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.515 -176.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -104.61 112.78 25.99 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 170.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.534 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 9.0 mm-40 -110.11 107.88 17.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.416 -172.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -105.63 103.26 12.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 178.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 29.8 t -107.35 122.86 62.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.984 0.421 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.3 151.52 46.49 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.527 -179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -101.75 137.61 39.82 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.431 ' CG1' ' HA3' ' B' ' 69' ' ' GLY . 58.9 t -96.25 127.41 48.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.701 -176.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.775 ' HB3' ' HB3' ' B' ' 35' ' ' LEU . 95.6 m-85 -122.89 145.21 48.66 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.733 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -120.59 169.69 10.12 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -73.06 150.26 42.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.639 0.256 . . . . 0.0 110.619 -177.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' B' ' 34' ' ' LYS . . . -78.24 33.29 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.025 0.44 . . . . 0.0 111.905 -174.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 1.2 p -109.28 -24.71 10.96 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 -179.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -85.9 99.72 11.6 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.173 -176.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 86.0 mt -98.11 174.01 6.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.352 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -77.15 121.58 23.81 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -86.9 70.18 10.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.621 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -145.53 85.16 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.785 178.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -137.7 116.48 12.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.965 175.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.1 100.02 8.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -165.17 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.005 0.431 . . . . 0.0 110.665 177.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 47.1 t60 . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.27 -0.871 . . . . 0.0 109.846 -176.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.63 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.884 0.373 . . . . 0.0 111.346 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB2' ' HD1' ' A' ' 71' ' ' TYR . 63.0 mt-10 -107.29 168.44 9.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.492 178.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.3 tt0 -106.03 139.8 40.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 173.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -133.18 161.54 41.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.938 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.7 p -85.83 158.08 20.06 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.798 0.333 . . . . 0.0 110.325 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.7 tptt -61.58 -30.31 70.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.939 -177.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -38.37 86.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.654 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -69.05 -43.68 74.17 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.151 0.5 . . . . 0.0 109.807 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HG23 ' HB2' ' A' ' 35' ' ' LEU . 85.1 mt -56.92 -44.78 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.034 -0.985 . . . . 0.0 111.305 179.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -73.71 -31.15 63.26 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.369 -177.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -72.16 -47.98 46.84 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.957 -178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -87.25 -14.18 41.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.675 0.274 . . . . 0.0 110.772 -177.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.9 tppp? 64.89 86.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.285 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.506 ' HB2' HG23 ' A' ' 30' ' ' ILE . 88.3 mt -101.92 153.49 19.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.561 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 69.0 t -96.47 121.36 46.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.505 -177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' HE3' ' HB3' ' A' ' 89' ' ' GLU . 88.4 tttt -80.98 127.53 32.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.978 0.418 . . . . 0.0 111.373 -176.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -85.61 -52.5 12.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.115 178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.77 -169.59 34.77 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.806 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -121.65 125.84 47.62 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 30.1 pt -105.03 153.67 6.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.349 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -140.88 129.33 22.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.296 0.569 . . . . 0.0 110.548 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 59.7 t -104.48 112.09 36.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.82 177.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 29.7 m -117.92 97.97 6.1 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 175.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 79.3 mm-40 -117.96 149.62 40.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.975 -176.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.5 t -100.34 104.4 15.85 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.902 -178.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.94 -102.38 1.32 Allowed Glycine 0 N--CA 1.45 -0.421 0 CA-C-N 115.555 -0.748 . . . . 0.0 114.68 171.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.62 58.87 4.83 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 121.177 -0.535 . . . . 0.0 114.321 -167.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -124.91 -48.66 1.75 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.135 0.493 . . . . 0.0 109.843 172.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.408 HD11 ' HG3' ' A' ' 59' ' ' LYS . 2.4 mp -114.65 113.65 44.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.54 176.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.9 m -132.46 -33.57 1.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.453 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 m -108.86 159.41 31.12 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 174.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -57.58 -29.27 84.53 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.217 1.945 . . . . 0.0 110.944 175.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -60.8 -46.83 88.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.825 177.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -59.54 -54.19 49.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.064 0.459 . . . . 0.0 110.201 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.7 tp -57.91 -47.34 83.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.896 -178.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 4.5 ttm180 -66.96 -33.63 75.99 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.021 -176.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -73.78 -40.54 63.37 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.746 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' HD11 ' A' ' 50' ' ' ILE . 32.9 mmmt -64.4 -46.71 82.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.719 0.295 . . . . 0.0 110.417 176.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -43.5 95.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.622 177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.63 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 20.7 t -60.41 -46.98 88.05 Favored 'General case' 0 C--O 1.222 -0.349 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.121 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -53.86 -46.22 71.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.108 0.48 . . . . 0.0 110.921 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 72.2 mt -74.03 -38.34 64.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.133 -177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.93 -42.4 76.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.949 179.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -69.14 -25.89 64.6 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.244 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.65 -30.67 67.35 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.062 0.458 . . . . 0.0 110.399 175.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 67.3 mmtt -81.29 -30.06 34.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.374 173.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.51 11.81 32.35 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.882 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.508 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -84.24 132.94 11.42 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.716 -0.755 . . . . 0.0 111.718 -179.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -81.73 -31.27 32.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.132 0.491 . . . . 0.0 110.53 -177.205 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.403 ' HD1' ' HB2' ' A' ' 23' ' ' GLU . 51.3 m-85 -132.03 147.77 52.47 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.085 -177.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.422 ' O ' ' HA ' ' A' ' 24' ' ' GLN . 23.6 p90 -136.27 163.26 30.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.176 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -136.41 120.46 17.66 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.428 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 63.3 mt -73.29 127.71 35.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 177.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 25.0 pt -107.99 -23.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.717 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.462 ' HA ' ' HG2' ' B' ' 28' ' ' GLN . . . -155.62 108.89 2.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.301 -179.587 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' HB3' ' B' ' 28' ' ' GLN . . . -118.17 91.78 3.65 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 175.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -129.17 137.79 51.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.591 -172.017 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 84' ' ' PHE . 8.9 pt-20 -96.3 110.54 22.84 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.138 -178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.2 t-80 -89.85 87.74 7.07 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 175.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.6 -123.91 7.82 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.254 -0.974 . . . . 0.0 110.753 -174.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -87.64 -3.0 7.5 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.474 2.116 . . . . 0.0 111.915 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.456 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.9 OUTLIER -99.68 104.3 16.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.115 0.483 . . . . 0.0 110.453 -175.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.528 ' HA ' ' HA ' ' A' ' 79' ' ' GLU . 80.5 t80 -84.66 120.0 25.88 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.849 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.516 ' HB2' ' HD3' ' A' ' 78' ' ' ARG . 10.4 mt-10 -108.78 109.19 20.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.472 -177.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -109.8 110.74 21.83 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.679 178.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 37.1 t -104.63 124.43 59.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.004 179.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -135.4 155.08 51.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.91 0.386 . . . . 0.0 111.504 -176.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 35.0 mt-10 -101.73 130.36 48.1 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.83 179.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.508 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 49.9 t -97.26 126.92 49.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.688 0.28 . . . . 0.0 110.87 -177.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.419 ' CE2' ' HB2' ' A' ' 37' ' ' LYS . 54.5 m-85 -121.34 149.94 42.2 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.448 0.642 . . . . 0.0 111.673 -178.479 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.406 ' OD1' ' HE3' ' A' ' 96' ' ' LYS . 17.2 t-20 -129.24 179.99 5.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.025 179.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -84.39 158.65 21.03 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -89.25 24.29 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.036 0.446 . . . . 0.0 111.488 -176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -89.94 3.88 51.75 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.378 -177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.406 ' HE3' ' OD1' ' A' ' 92' ' ' ASN . 97.5 mttt -81.38 81.83 7.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.345 0.593 . . . . 0.0 111.566 -177.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.1 tt -90.17 113.97 25.85 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 174.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -22.48 20.41 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 22.2 m80 -80.06 72.77 6.86 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.906 -0.318 . . . . 0.0 111.358 178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -59.0 115.32 3.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 175.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 35.5 t60 -86.62 69.11 10.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.201 -0.454 . . . . 0.0 112.166 -170.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 68.64 -66.1 0.25 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 166.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -87.92 150.46 23.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.205 0.526 . . . . 0.0 111.48 -170.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 117.629 -1.177 . . . . 0.0 108.474 173.715 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.655 0.264 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.4 159.24 42.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.595 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -88.28 118.65 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.362 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -113.19 145.47 19.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-O 120.928 0.395 . . . . 0.0 110.559 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 52.2 p -77.33 158.68 30.04 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.254 178.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.556 ' HA ' ' HE3' ' B' ' 27' ' ' LYS . 1.0 OUTLIER -58.26 -28.69 65.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.373 0.606 . . . . 0.0 109.596 178.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.481 ' HB3' ' HB3' ' A' ' 77' ' ' ALA . 24.9 mp0 -70.27 -42.51 72.02 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.6 178.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -64.19 -43.29 95.54 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 109.917 178.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HE3' ' B' ' 27' ' ' LYS . 83.4 mt -56.31 -39.47 60.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.238 -0.892 . . . . 0.0 111.263 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.6 m -70.91 -37.35 72.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.332 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -66.72 -50.05 64.04 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.697 -0.228 . . . . 0.0 111.195 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -79.23 -18.17 53.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.927 -177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? 59.04 63.09 1.7 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.658 0.742 . . . . 0.0 109.84 -177.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 77.3 mt -78.73 153.06 31.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.669 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.88 128.53 43.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.941 178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -79.97 106.24 11.85 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 48.3 t -73.03 -44.47 56.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.573 -178.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.29 -169.2 36.13 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.992 -179.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 89.8 m -128.92 132.91 47.71 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 24.7 pt -115.8 145.94 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.698 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -131.75 127.55 37.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.328 0.585 . . . . 0.0 110.42 177.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' B' ' 86' ' ' ALA . 47.1 t -101.21 103.13 14.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.118 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 3.6 m -105.72 107.69 18.82 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.668 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 72.6 mm-40 -124.87 143.56 50.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.283 -177.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 82' ' ' PRO . 4.9 p -97.77 111.75 23.92 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.121 0.486 . . . . 0.0 111.603 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.13 -148.68 30.13 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 121.047 -0.597 . . . . 0.0 112.518 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.9 53.05 4.3 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.292 -0.48 . . . . 0.0 112.894 -177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.668 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 28.0 mt-30 -91.9 0.26 57.48 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.536 0.684 . . . . 0.0 109.622 175.409 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.21 91.98 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.267 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 161.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.1 t -72.15 -34.32 68.42 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.105 -170.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.3 m -140.69 163.45 42.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -56.63 -33.25 92.91 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.008 1.806 . . . . 0.0 110.932 172.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.464 ' O ' ' HG3' ' B' ' 58' ' ' GLU . 1.2 m -60.77 -38.63 85.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.446 175.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -65.21 -37.05 86.09 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.68 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 43.2 tp -63.42 -44.38 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.998 176.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.475 ' HG3' ' OH ' ' B' ' 72' ' ' TYR . 59.5 ttm-85 -61.23 -42.22 98.23 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.071 176.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 54' ' ' SER . 51.6 mt-10 -54.46 -55.62 27.04 Favored 'General case' 0 CA--C 1.522 -0.12 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.716 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.645 ' O ' ' HG ' ' B' ' 63' ' ' LEU . 46.8 mmtm -54.02 -52.34 61.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.7 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.39 -43.63 97.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.431 -176.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 23.7 m -66.44 -39.76 89.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.819 0.343 . . . . 0.0 110.758 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.92 -44.52 95.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.665 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.645 ' HG ' ' O ' ' B' ' 59' ' ' LYS . 23.4 mt -72.53 -32.81 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.456 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.11 -44.77 83.35 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.681 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.9 -26.99 67.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.012 177.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -74.98 -26.54 59.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.969 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -85.44 -36.61 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.893 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 111.01 31.08 2.98 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.863 -178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.712 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -114.53 133.2 10.93 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.637 177.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -80.07 -20.15 45.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.922 0.391 . . . . 0.0 110.563 -177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -132.21 148.39 52.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.232 -174.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.475 ' OH ' ' HG3' ' B' ' 57' ' ' ARG . 40.8 p90 -136.9 156.43 48.48 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.27 175.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 -140.99 119.81 12.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.679 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 44.3 mt -72.09 125.87 31.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.421 -0.215 . . . . 0.0 110.421 177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 18.2 pt -105.78 -35.19 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.044 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -141.98 100.84 3.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.036 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -108.65 106.59 16.71 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.426 ' HG3' ' HB2' ' B' ' 85' ' ' GLU . 4.7 ptp180 -131.58 151.71 51.38 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.413 0.625 . . . . 0.0 111.718 -173.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -114.36 101.22 8.96 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.489 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -106.08 76.96 1.2 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.756 0.313 . . . . 0.0 110.692 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.84 -114.76 4.71 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.294 174.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.406 ' O ' ' HA ' ' B' ' 46' ' ' SER . 71.6 Cg_endo -80.03 -23.25 6.72 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.614 2.21 . . . . 0.0 112.585 177.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -107.01 122.43 46.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.259 0.552 . . . . 0.0 111.264 -175.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -91.39 128.64 37.3 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 174.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HG3' ' B' ' 78' ' ' ARG . 5.9 mm-40 -115.26 107.94 15.92 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -175.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HB3' ' HB ' ' B' ' 43' ' ' VAL . . . -109.37 103.21 12.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.333 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 46.3 t -99.56 123.58 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.189 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -133.98 164.38 27.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.097 0.475 . . . . 0.0 111.379 -176.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -102.03 143.74 31.5 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.258 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 86.0 t -103.41 112.86 38.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -117.27 142.69 46.75 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.461 0.648 . . . . 0.0 111.059 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.712 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 48.7 t30 -147.54 144.15 28.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.035 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -68.85 172.56 6.34 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 0.0 110.264 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.17 71.5 5.67 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.935 0.397 . . . . 0.0 111.292 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 19.1 m -80.53 -98.07 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.421 ' N ' ' HD2' ' B' ' 96' ' ' LYS . 0.6 OUTLIER 50.55 -169.46 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.411 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 45.5 tp -170.98 95.08 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.875 173.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.87 151.03 43.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.408 178.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 36.1 m80 55.39 39.23 31.15 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 123.578 0.549 . . . . 0.0 111.236 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -78.99 169.89 17.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.727 178.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -86.18 156.03 20.49 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.14 -12.75 61.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.278 0.561 . . . . 0.0 110.584 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -128.91 117.25 20.68 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 171.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 . . . . . 0 C--O 1.244 0.778 0 CA-C-O 118.959 -0.544 . . . . 0.0 110.599 -179.714 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' N ' ' HG ' ' A' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -109.62 152.11 25.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.503 -177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.405 ' OE1' ' HB2' ' B' ' 26' ' ' SER . 6.5 tt0 -96.7 138.02 34.89 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.6 m -125.74 153.5 33.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.312 177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.7 m -91.33 168.31 11.66 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.263 178.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' HA ' HD12 ' A' ' 30' ' ' ILE . 59.0 tttp -63.52 -22.21 66.77 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.629 -171.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.434 HE21 ' HB2' ' A' ' 28' ' ' GLN . 0.5 OUTLIER -66.44 -46.04 77.81 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.48 -40.87 80.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.9 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 27' ' ' LYS . 80.9 mt -55.94 -44.44 78.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.859 177.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.6 m -76.38 -37.33 57.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.095 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.428 ' HE1' ' HB2' ' B' ' 79' ' ' GLU . 18.7 t60 -68.97 -47.13 66.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 -176.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -88.96 -11.57 44.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.605 0.24 . . . . 0.0 111.061 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.4 tptt 61.26 57.62 2.38 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.276 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.89 151.25 46.8 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.593 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.422 ' CG2' ' HA ' ' A' ' 94' ' ' ALA . 81.5 t -104.25 121.08 55.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.429 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -75.08 122.56 23.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.982 0.42 . . . . 0.0 110.363 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.9 t -84.12 -34.49 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.988 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.44 -176.63 48.13 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.53 -179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 9.7 m -120.23 131.07 54.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.798 0.332 . . . . 0.0 110.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.32 142.53 30.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.529 -179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 87' ' ' VAL . 9.2 p30 -129.87 126.04 37.05 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.06 0.457 . . . . 0.0 110.034 177.625 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 46.0 t -101.47 101.01 11.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.281 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.0 p -107.85 117.56 34.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.958 178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -132.11 138.39 48.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 -173.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.542 ' HA ' ' OD1' ' A' ' 83' ' ' ASN . 53.1 m -74.47 127.4 32.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.914 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.55 80.02 Favored Glycine 0 N--CA 1.452 -0.252 0 CA-C-N 115.907 -0.588 . . . . 0.0 113.428 174.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.81 64.14 4.06 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.533 -0.841 . . . . 0.0 111.922 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -66.08 -20.3 66.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.032 0.444 . . . . 0.0 110.533 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.518 HG21 ' HB2' ' A' ' 56' ' ' LEU . 2.9 mp -80.45 105.17 9.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.482 175.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.9 m -88.79 -20.44 24.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.793 -175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.9 p -147.49 161.41 35.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.149 -0.22 . . . . 0.0 110.685 -175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -61.28 -28.05 84.16 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.234 1.956 . . . . 0.0 111.078 173.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 5.3 m -66.63 -46.23 76.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.389 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' 50' ' ' ILE . 33.1 t70 -62.53 -41.95 99.2 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.59 179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.518 ' HB2' HG21 ' A' ' 50' ' ' ILE . 54.4 tp -62.49 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.388 177.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.508 ' HG3' ' OH ' ' A' ' 72' ' ' TYR . 28.5 ttt180 -57.78 -37.24 73.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.592 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 54' ' ' SER . 41.7 mt-10 -65.11 -44.52 88.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.998 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -66.12 -41.93 89.88 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.178 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.95 -42.34 94.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.506 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.599 ' HG ' ' N ' ' A' ' 22' ' ' ALA . 32.1 t -63.0 -40.73 98.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.559 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -58.08 -54.2 49.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.854 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.79 -34.1 73.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.069 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.9 85.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.731 178.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -71.73 -32.41 67.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.32 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.76 70.19 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.479 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -82.29 -41.73 19.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.812 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 122.05 24.13 2.32 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.763 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -101.97 144.87 16.46 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.303 -178.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -85.82 -24.95 26.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.96 0.409 . . . . 0.0 111.105 177.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.9 167.65 14.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.058 0.456 . . . . 0.0 110.725 -175.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.508 ' OH ' ' HG3' ' A' ' 57' ' ' ARG . 54.1 p90 -153.45 167.43 29.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.644 174.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 82.9 t60 -144.18 116.51 8.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.291 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.1 mt -71.22 127.58 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 177.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.54 -26.24 2.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -151.87 94.55 1.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.0 111.118 -178.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 86' ' ' ALA . . . -109.65 103.06 11.85 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HG3' ' HG3' ' A' ' 85' ' ' GLU . 11.0 ptp85 -132.98 147.9 52.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.061 0.458 . . . . 0.0 111.273 -175.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -93.75 102.44 14.58 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.571 173.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -76.33 76.31 3.1 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.978 -176.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.08 -119.88 6.49 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -83.83 -3.73 10.53 Favored 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.498 2.132 . . . . 0.0 111.766 174.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.542 ' OD1' ' HA ' ' A' ' 46' ' ' SER . 2.1 t30 -102.76 169.16 8.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.11 -176.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -133.0 131.79 41.13 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 3.9 pt-20 -138.34 113.63 9.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.345 0.593 . . . . 0.0 111.02 179.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.459 ' HA ' ' HA ' ' A' ' 77' ' ' ALA . . . -114.19 111.99 22.44 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.589 179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.416 ' HA ' ' HA ' ' A' ' 42' ' ' ASN . 21.7 t -97.1 130.55 45.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.444 179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -138.39 152.83 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -102.27 136.01 42.85 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.94 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.7 t -87.82 122.35 39.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.451 -179.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -117.81 133.62 55.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.46 0.647 . . . . 0.0 110.996 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -130.44 166.98 19.36 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.003 -178.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -61.12 142.74 56.48 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.962 -179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HA ' ' CG2' ' A' ' 36' ' ' VAL . . . -69.82 -4.63 20.96 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -170.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.2 p -72.78 -41.79 64.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.747 0.308 . . . . 0.0 111.112 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? 55.45 73.94 0.4 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.64 -176.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.693 ' H ' HD23 ' A' ' 97' ' ' LEU . 2.6 pt? -107.74 162.09 14.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.81 158.97 34.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.796 0.331 . . . . 0.0 110.425 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.13 105.61 15.73 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.169 178.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.2 p-80 -90.98 6.56 44.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.168 0.508 . . . . 0.0 110.516 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -112.3 85.75 2.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 168.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -88.94 118.37 28.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.763 -174.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -147.69 144.05 28.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.383 -0.817 . . . . 0.0 110.272 179.904 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.631 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -105.91 171.58 7.27 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.081 -176.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.525 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 10.4 tt0 -104.72 134.65 47.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.094 0.473 . . . . 0.0 111.067 178.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -125.56 158.0 34.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.332 -0.849 . . . . 0.0 108.802 173.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.564 ' HB3' ' OE1' ' B' ' 29' ' ' GLU . 23.2 t -86.82 167.23 14.57 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.542 ' HA ' HD12 ' B' ' 30' ' ' ILE . 29.3 tttp -64.99 -10.11 26.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.277 0.561 . . . . 0.0 110.214 -176.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.27 -51.65 16.86 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.527 174.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.564 ' OE1' ' HB3' ' B' ' 26' ' ' SER . 2.6 mp0 -66.16 -38.65 88.61 Favored 'General case' 0 CA--C 1.516 -0.347 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 -178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.0 mt -53.42 -50.5 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.189 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 10.2 m -78.7 -41.09 31.96 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.097 -177.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -65.2 -41.4 94.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.546 -176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -93.06 -9.17 40.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.848 0.356 . . . . 0.0 110.269 179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.595 ' HA ' ' HE3' ' B' ' 34' ' ' LYS . 0.1 OUTLIER 70.21 84.03 0.14 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.183 172.439 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.53 ' HB2' HG23 ' B' ' 30' ' ' ILE . 82.8 mt -110.08 152.01 26.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.798 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 41.4 t -105.11 129.97 56.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.932 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' B' ' 91' ' ' TYR . 7.6 ttpm? -79.73 118.89 21.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.924 0.392 . . . . 0.0 110.431 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -77.09 -34.94 22.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.716 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 174.69 -171.52 44.65 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.639 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 31.9 m -122.15 130.16 52.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.938 -0.394 . . . . 0.0 109.938 -179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.499 HG22 ' HE3' ' B' ' 67' ' ' LYS . 17.0 pt -108.82 145.24 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.955 0.407 . . . . 0.0 110.906 -178.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -139.08 120.87 15.38 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . . . . . . . . . 45.9 t -106.99 100.92 11.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.013 178.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.6 p -98.07 114.21 26.32 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.518 ' HG3' HG12 ' B' ' 50' ' ' ILE . 25.0 mm-40 -109.22 117.56 34.44 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.009 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.3 m -78.05 52.0 1.03 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.135 -177.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.71 -177.88 30.17 Favored Glycine 0 N--CA 1.441 -1.021 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -81.02 51.27 4.32 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.658 -177.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -78.29 -18.87 54.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.078 0.466 . . . . 0.0 110.147 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.518 HG12 ' HG3' ' B' ' 45' ' ' GLN . 50.6 mm -95.56 96.59 5.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 170.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 35.4 t -90.48 -32.27 16.44 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.222 -173.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 25.2 p -140.62 165.64 28.54 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.966 -178.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.32 -28.93 65.16 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.579 2.186 . . . . 0.0 111.964 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -62.78 -39.47 94.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.776 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -62.12 -47.36 84.94 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 175.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.24 -43.62 95.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.028 -0.987 . . . . 0.0 110.877 179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.552 ' HD2' ' OH ' ' B' ' 72' ' ' TYR . 8.2 mmm180 -62.38 -45.43 93.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.915 178.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.37 -55.62 29.47 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 123.143 0.277 . . . . 0.0 111.382 -178.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -54.48 -49.06 71.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.351 -176.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -69.34 -37.56 77.73 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.217 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.631 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 46.7 t -66.01 -46.06 79.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.891 0.377 . . . . 0.0 111.031 -178.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -67.09 -34.61 78.01 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -176.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . 0.575 ' O ' ' HG2' ' B' ' 67' ' ' LYS . 89.3 mt -74.99 -38.25 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 177.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.3 96.8 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.732 0.301 . . . . 0.0 110.906 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -67.29 -37.34 83.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.3 178.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.51 95.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.968 177.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . 0.575 ' HG2' ' O ' ' B' ' 63' ' ' LEU . 74.8 mmtt -68.92 -55.54 10.68 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 176.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 137.63 39.78 0.12 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.62 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . . . . . . . . . . . -132.19 150.93 19.72 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.203 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' B' ' 22' ' ' ALA . 87.6 mttt -99.23 -21.72 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.284 0.564 . . . . 0.0 110.387 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.6 149.85 49.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.333 -176.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.552 ' OH ' ' HD2' ' B' ' 57' ' ' ARG . 35.9 p90 -139.13 168.25 20.24 Favored 'General case' 0 C--N 1.317 -0.822 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.438 173.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -143.42 120.34 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.019 -178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 70.1 mt -75.94 128.46 37.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.772 0.32 . . . . 0.0 110.299 -179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 25.3 pt -114.13 -17.7 8.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.978 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' B' ' 87' ' ' VAL . . . -146.2 104.61 3.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.215 -179.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . . . . . . . . . . . -115.68 81.12 1.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 173.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -115.28 160.72 19.43 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.724 -169.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.428 ' HB2' ' HE1' ' A' ' 32' ' ' HIS . 31.9 tt0 -115.72 105.89 13.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.579 178.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -96.33 65.64 2.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.648 -176.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.78 -117.12 5.61 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -176.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -78.22 -23.7 8.69 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.423 2.082 . . . . 0.0 111.395 174.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -87.01 124.7 33.48 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.043 -176.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -97.03 121.77 39.28 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -115.23 110.04 18.87 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.909 0.385 . . . . 0.0 110.755 -175.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.44 114.38 27.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.568 178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' B' ' 76' ' ' ALA . 31.9 t -113.33 131.66 64.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.32 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -139.05 161.98 36.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.502 -177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -101.72 137.27 40.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.167 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 57.4 t -99.79 120.75 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' B' ' 37' ' ' LYS . 62.3 m-85 -122.45 142.02 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.792 0.806 . . . . 0.0 112.286 -177.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -119.88 152.09 37.88 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 175.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' B' ' 35' ' ' LEU . 0.9 OUTLIER -51.01 -67.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 109.731 -178.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -174.83 19.91 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.123 -1.399 . . . . 0.0 107.427 176.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 3.6 m -80.07 95.45 6.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 114.494 -1.23 . . . . 0.0 112.0 -168.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . 0.735 ' HA ' ' HE3' ' B' ' 96' ' ' LYS . 0.1 OUTLIER -93.87 -8.39 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 171.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.19 134.14 56.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.523 173.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -66.75 117.13 8.46 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.051 0.453 . . . . 0.0 110.794 -176.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -96.34 90.89 5.6 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.327 0.584 . . . . 0.0 109.48 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -71.99 78.85 0.91 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.889 0.852 . . . . 0.0 111.284 -176.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -135.35 73.28 1.47 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.787 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -75.95 113.84 13.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.701 -177.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -138.48 -60.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 -176.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 C--O 1.249 1.041 0 O-C-N 123.82 0.7 . . . . 0.0 110.547 -172.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' ' 71' ' ' TYR . 6.0 mm-40 -97.43 136.73 37.46 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.945 0.402 . . . . 0.0 110.764 -174.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.473 ' NE2' ' HG2' ' A' ' 57' ' ' ARG . 88.6 mt-30 -82.75 130.49 35.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' O ' ' HB2' ' A' ' 73' ' ' HIS . 6.3 m -132.83 128.66 57.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 O-C-N 123.37 0.419 . . . . 0.0 110.536 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.436 ' O ' HG13 ' A' ' 30' ' ' ILE . 31.2 m -67.93 164.8 19.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.838 0.351 . . . . 0.0 111.112 -178.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -61.15 -35.48 77.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.443 0.64 . . . . 0.0 110.143 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.564 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 20.0 mp0 -71.3 -25.61 62.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.41 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.59 -46.32 15.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.959 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 26' ' ' SER . 73.4 mt -57.03 -43.92 81.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.7 p -79.51 -17.24 54.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.571 -177.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.564 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 4.1 t60 -84.16 -44.9 13.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.947 0.403 . . . . 0.0 110.191 -177.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.3 -12.01 36.33 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.088 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.9 tptt 61.24 79.38 0.25 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.572 0.545 . . . . 0.0 110.395 -179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 HG12 ' A' ' 30' ' ' ILE . 98.2 mt -85.44 162.97 18.76 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.252 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.5 t -92.96 122.76 44.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.138 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.4 tmtp? -77.57 128.28 33.89 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 -177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -105.44 -55.93 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.879 0.371 . . . . 0.0 111.222 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -174.22 -158.19 17.72 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.969 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 33.1 m -133.55 142.9 48.39 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.711 0.256 . . . . 0.0 110.723 -178.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 pt -122.87 155.29 28.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -142.93 139.63 30.81 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 85' ' ' GLU . 56.2 t -120.37 102.22 12.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.717 176.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 34.4 t -116.4 101.56 8.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -129.6 141.81 50.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.048 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 82' ' ' PRO . 14.9 m -88.85 108.45 19.54 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.146 -178.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.89 -138.14 13.74 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.755 -0.736 . . . . 0.0 113.978 172.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.39 39.28 3.0 Favored Glycine 0 N--CA 1.448 -0.516 0 N-CA-C 114.482 0.553 . . . . 0.0 114.482 -168.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -83.38 -28.08 29.18 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 168.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 50' ' ' ILE . 3.8 mp -123.19 94.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.468 -1.242 . . . . 0.0 108.402 168.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.1 m -91.26 -36.33 13.96 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.284 0.564 . . . . 0.0 110.245 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.429 ' HB2' ' HD2' ' A' ' 53' ' ' PRO . 78.1 p -134.4 169.75 13.07 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.686 -178.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 52' ' ' SER . 50.9 Cg_exo -54.1 -30.67 61.43 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.334 2.023 . . . . 0.0 111.697 174.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.8 m -63.4 -46.76 84.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.987 178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -59.18 -41.78 89.27 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.176 0.512 . . . . 0.0 110.333 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 tp -66.79 -48.94 67.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.016 -178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HG2' ' NE2' ' A' ' 24' ' ' GLN . 58.0 mtt85 -71.15 -22.62 62.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.527 -177.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -64.23 -52.41 58.92 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 171.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.576 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 48.1 mmtm -59.01 -55.41 35.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.911 178.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HB3' ' CE1' ' A' ' 72' ' ' TYR . 95.7 mt -56.15 -48.7 75.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.665 -0.698 . . . . 0.0 112.031 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.2 m -65.99 -42.3 89.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.714 0.292 . . . . 0.0 110.945 -178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -66.48 -43.89 84.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.515 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 59' ' ' LYS . 66.1 mt -69.49 -32.14 70.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.601 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.48 -49.06 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.065 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -64.96 -32.14 73.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.752 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.26 -33.08 75.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.696 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.96 -37.56 61.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.976 174.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 125.95 -13.04 7.21 Favored Glycine 0 N--CA 1.448 -0.555 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.094 178.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.517 ' HA3' ' CG1' ' A' ' 90' ' ' VAL . . . -71.83 143.83 35.7 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.598 -176.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -95.66 -18.22 20.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.715 0.293 . . . . 0.0 110.824 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' HA ' ' O ' ' A' ' 23' ' ' GLU . 21.5 m-85 -131.51 150.73 52.04 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.951 -177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 40.3 p90 -155.52 160.22 40.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 173.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 39.3 t-80 -151.38 139.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.529 173.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.49 HG21 ' HB2' ' A' ' 77' ' ' ALA . 55.3 mt -69.1 133.47 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.152 176.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 pt -110.68 -24.86 3.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.844 0.354 . . . . 0.0 110.533 177.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -148.52 107.59 3.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 74' ' ' ILE . . . -113.16 105.61 13.65 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 176.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -132.56 144.08 50.15 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.203 0.525 . . . . 0.0 111.085 -175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -97.29 102.98 14.87 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.976 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -88.24 63.32 7.13 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.507 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.12 -122.39 7.45 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.468 ' O ' ' HA ' ' A' ' 46' ' ' SER . 8.0 Cg_exo -73.53 -23.47 17.17 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.84 2.36 . . . . 0.0 111.223 173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -83.51 104.49 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.807 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -82.01 115.68 21.27 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 43' ' ' VAL . 23.7 mt-10 -114.55 109.86 18.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.345 0.593 . . . . 0.0 111.245 -174.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.96 115.68 30.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.018 176.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 46.5 t -104.02 122.77 57.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.096 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -134.75 150.03 50.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.806 -176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -102.01 144.25 30.84 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.854 -0.339 . . . . 0.0 110.178 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.517 ' CG1' ' HA3' ' A' ' 69' ' ' GLY . 40.2 t -102.94 129.66 54.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.834 -175.175 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -126.2 161.62 27.3 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.372 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -136.54 175.66 9.4 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -92.44 -178.93 5.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -82.98 14.37 3.36 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.471 0.653 . . . . 0.0 110.135 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.9 t -65.25 -25.68 67.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.188 -0.915 . . . . 0.0 110.339 177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -120.43 70.51 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.27 0.557 . . . . 0.0 109.858 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.06 111.93 24.39 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.886 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -82.13 121.81 27.06 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.254 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -69.13 -53.57 19.5 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.902 -178.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -129.57 106.76 8.96 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.826 0.346 . . . . 0.0 110.381 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -128.95 141.56 51.22 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.982 0.42 . . . . 0.0 110.379 175.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.455 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 2.0 p-80 -143.77 85.55 1.83 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.455 ' HB2' ' O ' ' A' ' 102' ' ' HIS . 67.8 m80 69.85 -54.88 0.6 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -163.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--O 1.256 1.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 168.342 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.585 ' N ' ' HG ' ' B' ' 61' ' ' SER . . . . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -111.57 154.39 24.89 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.7 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . 0.583 ' HA ' ' O ' ' B' ' 72' ' ' TYR . 3.2 pt20 -90.81 135.5 33.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.181 0.515 . . . . 0.0 110.146 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 17.6 m -121.33 154.59 25.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -80.79 153.27 27.84 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' B' ' 30' ' ' ILE . 34.7 tttp -66.37 -27.08 67.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.924 0.392 . . . . 0.0 110.185 -175.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -66.64 -37.27 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.45 176.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -65.03 -39.22 93.03 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.537 HD12 ' HA ' ' B' ' 27' ' ' LYS . 81.9 mt -58.12 -45.51 88.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.872 177.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 19.8 m -71.09 -31.28 67.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.292 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.05 -45.72 47.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.427 -177.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -86.22 -16.15 38.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.736 0.303 . . . . 0.0 110.512 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.553 ' HE2' ' HA ' ' B' ' 34' ' ' LYS . 0.4 OUTLIER 59.82 63.19 1.53 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.758 0.789 . . . . 0.0 110.267 -179.373 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 98.4 mt -76.25 164.93 25.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.695 -178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 49.6 t -99.41 125.53 52.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.69 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -79.68 112.19 16.71 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.241 0.543 . . . . 0.0 110.171 -178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.27 -37.73 22.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.94 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.19 -163.66 36.59 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.93 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 36.0 m -132.95 138.89 47.05 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 28.6 pt -121.52 145.89 27.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.879 0.371 . . . . 0.0 111.089 -178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -128.66 124.86 36.82 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.209 174.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' B' ' 85' ' ' GLU . 46.7 t -101.41 100.82 11.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 23.3 t -105.9 103.32 12.79 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLN . . . . . 0.547 ' HB3' ' HB2' ' B' ' 49' ' ' GLN . 28.5 mm-40 -110.76 105.53 14.42 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.744 -176.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 18.1 m -69.76 100.01 1.44 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.592 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.14 -148.1 19.18 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.86 -0.609 . . . . 0.0 113.818 174.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.19 61.6 4.75 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 121.289 -0.481 . . . . 0.0 113.585 -172.148 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.547 ' HB2' ' HB3' ' B' ' 45' ' ' GLN . 45.5 mt-30 -102.97 -6.13 22.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.55 0.69 . . . . 0.0 109.586 172.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ILE . . . . . 0.528 HG23 ' HB2' ' B' ' 55' ' ' ASP . 47.0 mt -139.2 125.48 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.001 -1.0 . . . . 0.0 109.036 174.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.4 m -120.46 -27.5 5.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 110.282 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 76.6 p -127.59 159.64 64.84 Favored Pre-proline 0 N--CA 1.447 -0.606 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.527 -178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -56.79 -24.5 55.96 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.267 1.978 . . . . 0.0 110.985 172.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.597 ' O ' ' HG2' ' B' ' 58' ' ' GLU . 12.8 m -59.46 -54.78 42.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.299 175.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.528 ' HB2' HG23 ' B' ' 50' ' ' ILE . 32.3 m-20 -55.57 -45.53 77.3 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.398 0.618 . . . . 0.0 110.37 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.411 HD13 ' HE2' ' B' ' 84' ' ' PHE . 42.3 tp -54.55 -54.76 36.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.108 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ARG . . . . . 0.549 ' HA ' ' HB2' ' B' ' 60' ' ' LEU . 87.5 mtt180 -73.03 -15.97 61.51 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.781 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.597 ' HG2' ' O ' ' B' ' 54' ' ' SER . 46.3 mm-40 -62.83 -58.83 6.04 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 171.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -64.33 -37.13 86.41 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.923 177.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' B' ' 57' ' ' ARG . 67.7 mt -56.72 -51.51 68.54 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.743 0.306 . . . . 0.0 110.855 177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.585 ' HG ' ' N ' ' B' ' 22' ' ' ALA . 66.5 m -64.24 -39.82 94.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.91 179.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.42 -49.85 69.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.022 -177.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.6 -33.5 71.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.201 -177.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.87 78.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.866 0.365 . . . . 0.0 110.314 177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.88 -31.69 70.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.247 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.09 95.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.654 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -70.97 -50.06 38.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.61 175.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 135.66 36.22 0.21 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.498 178.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLY . . . . . 0.434 ' HA2' ' HB2' ' B' ' 92' ' ' ASN . . . -127.55 151.54 18.54 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.038 178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -106.85 -8.82 16.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.094 0.473 . . . . 0.0 110.649 -178.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -129.71 137.9 50.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.292 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' TYR . . . . . 0.583 ' O ' ' HA ' ' B' ' 24' ' ' GLN . 52.5 p90 -125.26 155.79 39.58 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.373 178.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -133.67 110.14 9.66 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.81 178.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ILE . . . . . . . . . . . . . 61.3 mt -65.81 126.13 24.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.194 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 32.5 pt -108.06 -29.17 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.196 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -156.16 102.09 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.802 0.334 . . . . 0.0 111.292 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 86' ' ' ALA . . . -102.81 86.3 2.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 174.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -97.54 151.81 19.66 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.292 -171.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' GLU . . . . . 0.472 ' HB2' ' CE1' ' A' ' 32' ' ' HIS . 23.2 tt0 -105.84 88.48 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 172.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -83.71 68.56 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.865 -172.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.09 -119.06 6.19 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -176.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_endo -87.88 -8.79 5.76 Favored 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.12 2.546 . . . . 0.0 111.375 173.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -100.63 107.39 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.504 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' PHE . . . . . 0.411 ' HE2' HD13 ' B' ' 56' ' ' LEU . 88.5 t80 -83.47 121.88 27.79 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' B' ' 43' ' ' VAL . 35.1 mt-10 -126.57 108.03 10.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.026 0.441 . . . . 0.0 110.968 -175.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ALA . . . . . 0.537 ' HA ' ' HA ' ' B' ' 77' ' ' ALA . . . -110.35 114.35 27.74 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.57 178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 39.3 t -104.15 135.98 39.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.319 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -141.2 166.72 24.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.426 -176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.4 147.86 25.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.601 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 58.8 t -112.81 116.38 52.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.644 -0.253 . . . . 0.0 110.444 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' TYR . . . . . 0.417 ' CE1' HD13 ' B' ' 30' ' ' ILE . 75.3 m-85 -125.47 147.34 49.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.042 0.449 . . . . 0.0 111.126 -179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.434 ' HB2' ' HA2' ' B' ' 69' ' ' GLY . 24.6 t-20 -137.14 161.93 34.8 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 174.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -84.93 171.75 11.9 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 177.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.22 63.9 1.04 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.173 0.511 . . . . 0.0 111.293 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -75.25 -68.06 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.528 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -104.0 95.64 6.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.424 174.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 53.1 tp -115.6 141.39 48.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -172.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -97.51 174.78 6.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.095 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' HIS . . . . . . . . . . . . . 45.0 m80 -131.78 -17.64 2.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.708 0.289 . . . . 0.0 111.298 -179.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -137.14 92.58 2.73 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.398 -0.594 . . . . 0.0 109.398 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 102' ' ' HIS . 56.7 t-80 -66.44 -66.38 0.56 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.938 -171.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' B' ' 101' ' ' HIS . 28.8 t-80 68.51 138.5 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.333 0 O-C-N 123.572 0.545 . . . . 0.0 109.835 -172.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -83.49 106.4 15.2 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.088 0.471 . . . . 0.0 110.932 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.53 -0.748 . . . . 0.0 109.153 176.579 . . . . . . . . 1 1 . 1 stop_ save_