data_1le0_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 1le0 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.555 0.693 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.947 0.403 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' HZ3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 . . . . . 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 121.059 0.457 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.556 0.693 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 . . . . . 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.028 0.918 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.414 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 . . . . . 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.561 0.22 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.713 0.768 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -70.8 116.2 10.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.259 1.424 . . . . 0.0 110.568 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -91.17 131.08 36.94 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -101.4 113.29 26.25 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.749 1.22 . . . . 0.0 111.98 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 120.336 0.112 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.86 119.74 23.15 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 122.515 0.326 . . . . 0.0 111.559 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.457 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.457 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -96.12 143.62 27.09 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -143.81 174.01 11.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.262 2.225 . . . . 0.0 109.349 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -64.64 122.51 17.01 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 121.696 -0.627 . . . . 0.0 110.841 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.493 ' HB2' ' HZ3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -96.59 121.33 38.29 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -100.74 158.54 15.88 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.118 1.767 . . . . 0.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 120.436 -1.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.456 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 12.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 122.342 1.068 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -60.58 147.79 40.42 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.456 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 62.4 t-105 -103.19 122.47 44.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -136.57 162.16 33.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.41 1.084 . . . . 0.0 112.941 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -95.45 141.63 28.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.695 1.598 . . . . 0.0 112.06 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -76.63 139.79 40.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -127.99 -11.8 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.605 1.962 . . . . 0.0 112.921 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 120.585 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.6 p . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 122.267 1.032 . . . . 0.0 111.84 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -70.29 152.86 43.7 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.241 169.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -75.25 112.31 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -128.96 -5.68 5.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 113.637 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -96.9 139.49 32.85 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.609 1.095 . . . . 0.0 111.939 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -96.81 112.93 24.47 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -133.11 143.13 49.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.005 1.322 . . . . 0.0 112.487 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.4 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.961 -0.014 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -119.49 141.36 49.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.251 1.02 . . . . 0.0 111.643 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -71.48 159.57 34.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -97.98 95.35 7.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.05 2.14 . . . . 0.0 112.222 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.855 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -85.4 150.57 24.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.848 -1.158 . . . . 0.0 111.536 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -77.9 119.06 20.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -138.11 -66.53 0.49 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.051 1.34 . . . . 0.0 110.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -119.82 151.22 39.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.207 1.803 . . . . 0.0 109.65 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -67.46 146.97 53.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -136.84 -0.55 2.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.206 2.602 . . . . 0.0 112.937 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.217 -1.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -99.75 123.88 44.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.629 1.172 . . . . 0.0 111.075 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.478 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.478 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -87.04 138.05 31.82 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.61 -4.64 6.52 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.823 1.249 . . . . 0.0 112.87 171.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.59 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -74.27 134.94 42.63 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.961 -1.087 . . . . 0.0 112.126 171.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.414 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.414 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -88.1 141.11 28.83 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -149.03 103.16 3.32 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.99 2.116 . . . . 0.0 110.017 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.244 -1.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -68.65 119.67 13.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -81.05 61.12 4.49 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -131.1 -25.76 2.21 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.555 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -61.81 128.73 37.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.555 0.742 . . . . 0.0 112.824 171.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -106.3 124.3 49.37 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -111.65 178.46 4.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.673 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 120.185 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.38 0.609 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -88.6 134.83 33.77 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.468 -0.77 . . . . 0.0 112.514 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -90.73 108.19 19.67 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -150.33 134.01 16.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.666 2.386 . . . . 0.0 112.443 176.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.524 -1.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.582 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 35.0 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.9 135.25 37.85 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.168 -0.958 . . . . 0.0 112.123 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.582 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 73.4 t-105 -89.97 136.04 33.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -91.34 73.3 6.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.668 1.987 . . . . 0.0 110.407 173.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.285 0.564 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -61.34 128.64 37.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -89.65 9.72 25.92 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.92 3.31 49.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.304 2.641 . . . . 0.0 113.104 173.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.125 -0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.484 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 18.3 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -67.62 140.34 56.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 69.5 t-105 -79.95 149.61 30.77 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -87.45 72.1 9.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.146 0.974 . . . . 0.0 110.261 172.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 120.961 -1.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.473 0.178 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -85.46 141.54 29.86 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.285 -0.884 . . . . 0.0 111.351 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -76.8 136.46 38.96 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -141.39 152.89 44.72 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.278 1.831 . . . . 0.0 111.399 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 121.676 -0.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.071 0.462 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -90.49 148.14 22.93 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 112.617 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -85.81 117.83 24.92 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -118.9 147.19 44.26 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.83 1.652 . . . . 0.0 110.383 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 120.395 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.555 0.693 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.947 0.403 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 . . . . . 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 121.059 0.457 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.556 0.693 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.498 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 . . . . . 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.028 0.918 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 . . . . . 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.561 0.22 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.713 0.768 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -70.8 116.2 10.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.259 1.424 . . . . 0.0 110.568 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -91.17 131.08 36.94 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -101.4 113.29 26.25 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.749 1.22 . . . . 0.0 111.98 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 120.336 0.112 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.86 119.74 23.15 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 122.515 0.326 . . . . 0.0 111.559 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -96.12 143.62 27.09 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -143.81 174.01 11.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.262 2.225 . . . . 0.0 109.349 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -64.64 122.51 17.01 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 121.696 -0.627 . . . . 0.0 110.841 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -96.59 121.33 38.29 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -100.74 158.54 15.88 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.118 1.767 . . . . 0.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 120.436 -1.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 12.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 122.342 1.068 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -60.58 147.79 40.42 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 62.4 t-105 -103.19 122.47 44.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -136.57 162.16 33.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.41 1.084 . . . . 0.0 112.941 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -95.45 141.63 28.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.695 1.598 . . . . 0.0 112.06 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -76.63 139.79 40.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -127.99 -11.8 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.605 1.962 . . . . 0.0 112.921 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 120.585 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.452 ' H3 ' ' N ' ' A' ' 13' ' ' NH2 . 56.6 p . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 122.267 1.032 . . . . 0.0 111.84 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -70.29 152.86 43.7 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.241 169.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 68.0 t-105 -75.25 112.31 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -128.96 -5.68 5.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 113.637 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.452 ' N ' ' H3 ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -96.9 139.49 32.85 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.609 1.095 . . . . 0.0 111.939 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -96.81 112.93 24.47 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -133.11 143.13 49.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.005 1.322 . . . . 0.0 112.487 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.4 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.961 -0.014 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -119.49 141.36 49.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.251 1.02 . . . . 0.0 111.643 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -71.48 159.57 34.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -97.98 95.35 7.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.05 2.14 . . . . 0.0 112.222 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.855 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -85.4 150.57 24.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.848 -1.158 . . . . 0.0 111.536 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -77.9 119.06 20.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -138.11 -66.53 0.49 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.051 1.34 . . . . 0.0 110.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -119.82 151.22 39.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.207 1.803 . . . . 0.0 109.65 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -67.46 146.97 53.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -136.84 -0.55 2.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.206 2.602 . . . . 0.0 112.937 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.217 -1.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -99.75 123.88 44.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.629 1.172 . . . . 0.0 111.075 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.498 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -87.04 138.05 31.82 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -126.61 -4.64 6.52 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.823 1.249 . . . . 0.0 112.87 171.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.59 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -74.27 134.94 42.63 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.961 -1.087 . . . . 0.0 112.126 171.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -88.1 141.11 28.83 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -149.03 103.16 3.32 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.99 2.116 . . . . 0.0 110.017 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.244 -1.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -68.65 119.67 13.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.553 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -81.05 61.12 4.49 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -131.1 -25.76 2.21 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.553 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.323 -0.555 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -61.81 128.73 37.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.555 0.742 . . . . 0.0 112.824 171.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -106.3 124.3 49.37 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -111.65 178.46 4.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.673 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 120.185 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.38 0.609 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -88.6 134.83 33.77 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.468 -0.77 . . . . 0.0 112.514 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -90.73 108.19 19.67 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -150.33 134.01 16.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.666 2.386 . . . . 0.0 112.443 176.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.524 -1.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.585 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 35.0 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.9 135.25 37.85 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.168 -0.958 . . . . 0.0 112.123 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 73.4 t-105 -89.97 136.04 33.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -91.34 73.3 6.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.668 1.987 . . . . 0.0 110.407 173.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.285 0.564 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -61.34 128.64 37.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -89.65 9.72 25.92 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.92 3.31 49.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.304 2.641 . . . . 0.0 113.104 173.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . 0.636 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.125 -0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.499 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 18.3 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -67.62 140.34 56.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 69.5 t-105 -79.95 149.61 30.77 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -87.45 72.1 9.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.146 0.974 . . . . 0.0 110.261 172.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 120.961 -1.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.473 0.178 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -85.46 141.54 29.86 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.285 -0.884 . . . . 0.0 111.351 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -76.8 136.46 38.96 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -141.39 152.89 44.72 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.278 1.831 . . . . 0.0 111.399 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 121.676 -0.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.071 0.462 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -90.49 148.14 22.93 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 112.617 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -85.81 117.83 24.92 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -118.9 147.19 44.26 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.83 1.652 . . . . 0.0 110.383 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 120.395 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 . . . . . 0 CA--C 1.534 0.349 0 CA-C-O 121.555 0.693 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 . . . . . 0 N--CA 1.461 0.106 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 . . . . . 0 C--O 1.227 -0.089 0 CA-C-O 120.947 0.403 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 . . . . . 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 . . . . . 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 121.059 0.457 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 . . . . . 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 . . . . . 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 . . . . . 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 . . . . . 0 CA--C 1.535 0.401 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 . . . . . 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 . . . . . 0 CA--C 1.534 0.361 0 N-CA-C 111.536 0.199 . . . . 0.0 111.536 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 . . . . . 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.556 0.693 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.498 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 . . . . . 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 . . . . . 0 N--CA 1.45 -0.437 0 CA-C-O 122.028 0.918 . . . . 0.0 112.126 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 . . . . . 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 . . . . . 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 . . . . . 0 CA--C 1.533 0.322 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 . . . . . 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 . . . . . 0 CA--C 1.532 0.268 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 . . . . . 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 . . . . . 0 N--CA 1.467 0.38 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 . . . . . 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 . . . . . 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.5 t-105 . . . . . 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 . . . . . 0 CA--C 1.532 0.282 0 CA-C-O 120.561 0.22 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 . . . . . 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 . . . . . 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 121.713 0.768 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -70.8 116.2 10.83 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.259 1.424 . . . . 0.0 110.568 169.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 73.7 p -117.26 154.83 30.51 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.487 2.315 . . . . 0.0 108.82 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -94.7 129.33 41.64 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 122.041 0.924 . . . . 0.0 112.698 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -113.52 46.05 1.33 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.543 1.937 . . . . 0.0 111.144 -169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.12 -56.9 4.0 Favored Glycine 0 CA--C 1.527 0.814 0 O-C-N 121.152 -0.968 . . . . 0.0 113.078 177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.33 -12.69 3.12 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 116.036 1.865 . . . . 0.0 116.036 178.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 ptmm? -133.96 159.53 40.45 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.468 1.507 . . . . 0.0 110.53 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -83.96 158.61 21.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.29 0.636 . . . . 0.0 110.385 171.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 t -151.13 146.22 25.99 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.09 1.356 . . . . 0.0 111.597 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -91.17 131.08 36.94 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.098 0.959 . . . . 0.0 111.935 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mmtm -101.4 113.29 26.25 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.749 1.22 . . . . 0.0 111.98 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 O-C-N 121.083 -1.011 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 120.336 0.112 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -79.86 119.74 23.15 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 122.515 0.326 . . . . 0.0 111.559 174.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.4 t -114.36 155.38 26.37 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.776 1.23 . . . . 0.0 109.779 172.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.482 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.5 t-105 -92.83 126.0 37.7 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.918 0.866 . . . . 0.0 110.693 -178.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -121.97 95.01 4.49 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.977 2.511 . . . . 0.0 109.93 -170.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 71.64 -79.09 0.58 Allowed Glycine 0 CA--C 1.527 0.822 0 C-N-CA 123.737 0.684 . . . . 0.0 112.646 179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.482 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 0.1 OUTLIER -138.36 3.38 2.35 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 127.033 2.133 . . . . 0.0 112.856 176.034 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -122.71 170.41 10.08 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.94 1.296 . . . . 0.0 110.719 -176.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -100.71 147.36 26.1 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.088 -1.007 . . . . 0.0 109.366 170.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 t -141.3 159.53 42.02 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.73 0.812 . . . . 0.0 112.554 173.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -96.12 143.62 27.09 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.677 1.191 . . . . 0.0 109.606 -176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -143.81 174.01 11.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.262 2.225 . . . . 0.0 109.349 -179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 119.861 -1.774 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 70.3 m95 -64.64 122.51 17.01 Favored 'General case' 0 C--N 1.343 0.288 0 O-C-N 121.696 -0.627 . . . . 0.0 110.841 172.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 67.2 p -132.48 154.79 49.55 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.429 1.492 . . . . 0.0 109.963 171.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 72.7 t-105 -89.99 139.8 30.25 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.331 1.053 . . . . 0.0 113.597 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -116.62 18.84 14.86 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.446 1.498 . . . . 0.0 112.379 -172.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.74 -17.9 58.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.475 1.036 . . . . 0.0 114.365 177.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -150.68 -20.7 0.23 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.209 1.559 . . . . 0.0 115.209 174.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.85 176.33 8.8 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 125.82 1.648 . . . . 0.0 110.681 175.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -102.98 141.75 35.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.191 1.396 . . . . 0.0 109.48 171.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.0 t -127.36 155.95 42.78 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.651 1.18 . . . . 0.0 109.3 168.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.1 t-105 -96.59 121.33 38.29 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 124.789 1.236 . . . . 0.0 109.395 -176.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -100.74 158.54 15.88 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 126.118 1.767 . . . . 0.0 110.25 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 120.436 -1.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.474 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 12.1 t . . . . . 0 N--CA 1.473 0.697 0 CA-C-O 122.342 1.068 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -60.58 147.79 40.42 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.488 1.292 . . . . 0.0 114.488 174.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.0 p -141.36 139.34 33.51 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 128.235 2.614 . . . . 0.0 109.233 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -92.09 115.24 27.9 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.526 1.531 . . . . 0.0 112.133 178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -89.62 60.7 5.2 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.32 1.048 . . . . 0.0 111.258 175.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.0 -36.99 0.4 Allowed Glycine 0 CA--C 1.534 1.23 0 N-CA-C 116.333 1.293 . . . . 0.0 116.333 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -144.54 -4.56 0.77 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 126.62 1.968 . . . . 0.0 114.092 -176.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -147.23 128.29 14.6 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.16 1.384 . . . . 0.0 110.774 -170.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -77.08 133.11 39.15 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.375 0.534 . . . . 0.0 111.005 170.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.8 t -131.23 158.21 41.18 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.049 1.74 . . . . 0.0 109.801 169.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.474 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 62.4 t-105 -103.19 122.47 44.78 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.194 1.397 . . . . 0.0 110.34 -172.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.4 mttt -136.57 162.16 33.88 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.41 1.084 . . . . 0.0 112.941 -175.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 120.006 -1.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -95.45 141.63 28.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.695 1.598 . . . . 0.0 112.06 172.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 54.7 p -134.25 153.26 51.96 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.555 2.342 . . . . 0.0 109.376 174.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -83.42 133.25 34.93 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.588 -0.695 . . . . 0.0 111.329 176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -120.82 78.0 1.34 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 122.383 1.087 . . . . 0.0 110.095 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.5 -51.05 0.63 Allowed Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.947 1.26 . . . . 0.0 114.923 178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -149.9 -6.7 0.33 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -134.93 175.65 9.38 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.697 1.135 . . . . 0.0 110.509 169.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -90.68 154.05 19.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.394 1.092 . . . . 0.0 111.264 173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -152.42 129.32 10.97 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 126.046 1.738 . . . . 0.0 110.629 -169.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 72.5 t-105 -76.63 139.79 40.74 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.943 0.897 . . . . 0.0 111.569 -178.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -127.99 -11.8 5.32 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.605 1.962 . . . . 0.0 112.921 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 O-C-N 120.585 -1.322 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.452 ' H3 ' ' N ' ' A' ' 13' ' ' NH2 . 56.6 p . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 122.267 1.032 . . . . 0.0 111.84 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.0 m95 -70.29 152.86 43.7 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.241 169.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 44.8 p -147.8 156.91 43.22 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.283 2.233 . . . . 0.0 109.526 177.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -101.4 131.4 47.52 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 125.217 1.407 . . . . 0.0 112.559 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -125.27 87.58 2.73 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.037 1.735 . . . . 0.0 111.48 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.02 -67.39 1.4 Allowed Glycine 0 CA--C 1.528 0.853 0 O-C-N 121.042 -1.036 . . . . 0.0 114.56 174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -138.6 4.5 2.37 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 178.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.3 ttpp -141.66 149.47 40.66 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.117 0.967 . . . . 0.0 110.799 -169.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -87.37 148.6 24.95 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.115 0.566 . . . . 0.0 110.288 173.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.5 t -144.51 133.28 22.39 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.251 1.021 . . . . 0.0 111.199 176.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 68.0 t-105 -75.25 112.31 11.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.428 1.091 . . . . 0.0 109.394 177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.2 mmmt -128.96 -5.68 5.02 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.17 0.988 . . . . 0.0 113.637 -178.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.452 ' N ' ' H3 ' ' A' ' 1' ' ' SER . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 120.756 -1.215 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.1 p . . . . . 0 N--CA 1.473 0.704 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -96.9 139.49 32.85 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.609 1.095 . . . . 0.0 111.939 -179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.0 t -145.9 162.07 38.6 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.375 1.47 . . . . 0.0 110.97 172.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -82.98 145.57 29.27 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.179 0.992 . . . . 0.0 111.469 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -114.39 23.7 12.56 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.178 2.191 . . . . 0.0 111.071 -171.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.26 -28.18 5.3 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.911 1.72 . . . . 0.0 114.293 -175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -144.76 2.3 1.05 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 177.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -162.62 165.81 25.38 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.859 1.664 . . . . 0.0 108.377 -173.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -88.23 145.16 26.03 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 124.258 1.023 . . . . 0.0 111.171 169.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.8 t -142.24 165.44 27.43 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 127.215 2.206 . . . . 0.0 112.247 176.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -96.81 112.93 24.47 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.701 1.601 . . . . 0.0 111.334 -174.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -133.11 143.13 49.09 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.005 1.322 . . . . 0.0 112.487 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 121.4 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 110.961 -0.014 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 81.3 m95 -119.49 141.36 49.25 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.251 1.02 . . . . 0.0 111.643 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 t -134.02 158.19 44.17 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.265 1.026 . . . . 0.0 112.061 169.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -85.71 151.07 24.15 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.177 1.391 . . . . 0.0 113.481 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -138.84 77.29 1.61 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.161 2.184 . . . . 0.0 109.25 -177.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 65.97 -68.89 0.13 Allowed Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.893 1.235 . . . . 0.0 116.173 174.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -135.04 16.26 3.51 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 129.54 3.136 . . . . 0.0 113.031 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.8 mtmm -139.16 170.29 16.23 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 127.075 2.15 . . . . 0.0 111.537 -178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -115.99 153.31 31.87 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.947 1.299 . . . . 0.0 109.043 169.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.6 t -145.27 132.6 20.62 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.077 1.751 . . . . 0.0 110.896 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -71.48 159.57 34.27 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.603 1.161 . . . . 0.0 111.825 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -97.98 95.35 7.42 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.05 2.14 . . . . 0.0 112.222 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.855 -1.153 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -85.4 150.57 24.63 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 120.848 -1.158 . . . . 0.0 111.536 173.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.8 p -151.25 150.96 31.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.614 1.565 . . . . 0.0 111.978 -172.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -87.93 123.72 32.95 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-O 122.955 1.36 . . . . 0.0 112.041 173.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -97.72 64.37 1.77 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 129.509 3.124 . . . . 0.0 108.78 176.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 64.15 -45.52 0.1 OUTLIER Glycine 0 CA--C 1.54 1.598 0 C-N-CA 127.014 2.245 . . . . 0.0 117.604 176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -137.81 -9.55 1.59 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 129.092 2.957 . . . . 0.0 114.46 179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.8 ttpt -134.8 174.92 10.04 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.618 1.099 . . . . 0.0 110.861 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -101.02 151.65 21.53 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 119.469 1.031 . . . . 0.0 110.035 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.3 t -152.62 150.28 29.33 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 124.429 1.092 . . . . 0.0 112.741 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.6 t-105 -77.9 119.06 20.83 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.325 1.05 . . . . 0.0 109.394 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -138.11 -66.53 0.49 Allowed 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.051 1.34 . . . . 0.0 110.517 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.384 0 O-C-N 121.194 -0.941 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.0 p . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 110.151 -0.314 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.9 m95 -119.82 151.22 39.17 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 126.207 1.803 . . . . 0.0 109.65 171.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.0 p -139.91 154.01 47.13 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.873 0.869 . . . . 0.0 109.453 170.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -96.02 146.26 24.77 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.185 1.394 . . . . 0.0 111.152 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.9 tp10 -138.72 84.97 2.05 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.255 1.022 . . . . 0.0 111.406 -174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.48 -53.12 0.2 Allowed Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.918 1.723 . . . . 0.0 116.258 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -149.8 -0.65 0.45 Allowed 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 125.769 1.627 . . . . 0.0 113.562 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.46 165.58 24.85 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.836 1.654 . . . . 0.0 110.064 -174.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -104.18 156.39 17.93 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.318 0.963 . . . . 0.0 111.387 173.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 48.0 m -143.55 116.68 8.93 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.065 2.146 . . . . 0.0 109.163 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -67.46 146.97 53.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.227 1.011 . . . . 0.0 111.793 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -136.84 -0.55 2.31 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.206 2.602 . . . . 0.0 112.937 -178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 O-C-N 120.217 -1.552 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.3 p . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 119.198 -0.429 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -99.75 123.88 44.45 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.629 1.172 . . . . 0.0 111.075 -175.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.9 p -124.37 132.45 53.54 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.912 2.085 . . . . 0.0 109.948 -171.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.498 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 72.7 t-105 -78.04 134.86 37.7 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.846 0.858 . . . . 0.0 111.95 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -139.67 106.51 5.4 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.423 1.489 . . . . 0.0 110.629 -174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.21 -80.99 0.27 Allowed Glycine 0 CA--C 1.528 0.865 0 O-C-N 121.508 -0.745 . . . . 0.0 113.674 -177.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.498 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 52.6 m-80 -147.22 14.66 1.14 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 127.61 2.364 . . . . 0.0 112.868 -174.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -142.87 178.39 7.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.957 1.703 . . . . 0.0 110.85 179.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 65.0 m95 -109.91 154.28 23.3 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.634 0.774 . . . . 0.0 109.84 169.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.0 t -148.44 161.07 42.35 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 125.149 1.38 . . . . 0.0 109.247 169.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 t-105 -87.04 138.05 31.82 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.382 1.473 . . . . 0.0 110.825 -170.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -126.61 -4.64 6.52 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.823 1.249 . . . . 0.0 112.87 171.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.59 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 96.4 p . . . . . 0 N--CA 1.47 0.562 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -74.27 134.94 42.63 Favored 'General case' 0 N--CA 1.45 -0.437 0 O-C-N 120.961 -1.087 . . . . 0.0 112.126 171.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 m -135.06 140.79 45.84 Favored 'General case' 0 CA--C 1.518 -0.272 0 C-N-CA 127.105 2.162 . . . . 0.0 108.291 -175.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 67.6 t-105 -89.82 109.18 20.19 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 122.722 1.248 . . . . 0.0 110.659 -176.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -95.43 79.82 3.46 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.505 2.322 . . . . 0.0 110.063 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 76.28 -71.44 2.02 Favored Glycine 0 CA--C 1.526 0.731 0 O-C-N 121.655 -0.653 . . . . 0.0 113.027 176.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 2.2 p-10 -140.17 23.25 2.39 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.072 1.349 . . . . 0.0 113.373 -174.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpp -162.06 144.3 11.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.043 0.937 . . . . 0.0 111.58 -169.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -79.8 126.98 31.66 Favored 'General case' 0 CA--C 1.555 1.143 0 CA-C-N 119.195 0.907 . . . . 0.0 110.758 169.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.8 t -122.07 153.61 38.42 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 126.964 2.106 . . . . 0.0 109.684 169.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -88.1 141.11 28.83 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.451 -0.781 . . . . 0.0 110.892 -179.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -149.03 103.16 3.32 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.99 2.116 . . . . 0.0 110.017 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.244 -1.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 111.267 0.099 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -68.65 119.67 13.44 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-O 121.504 0.668 . . . . 0.0 111.055 169.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.553 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 7.3 p -117.78 148.8 41.71 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 127.08 2.152 . . . . 0.0 109.307 172.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -109.2 105.94 15.6 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.076 1.35 . . . . 0.0 112.206 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -93.56 88.15 5.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 121.685 0.755 . . . . 0.0 111.101 175.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 66.79 -62.54 0.19 Allowed Glycine 0 CA--C 1.53 1.023 0 C-N-CA 125.726 1.632 . . . . 0.0 115.76 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -138.45 9.03 2.67 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.355 1.862 . . . . 0.0 113.205 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -145.76 131.64 19.12 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.172 0.897 . . . . 0.0 112.595 -175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -73.83 139.14 44.9 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.347 1.059 . . . . 0.0 110.969 169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -140.35 133.46 29.5 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.719 2.007 . . . . 0.0 110.375 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -81.05 61.12 4.49 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.332 1.053 . . . . 0.0 111.362 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -131.1 -25.76 2.21 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.553 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.323 -0.555 0 O-C-N 120.34 -1.475 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.2 t . . . . . 0 N--CA 1.47 0.562 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 92.5 m95 -61.81 128.73 37.61 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.555 0.742 . . . . 0.0 112.824 171.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.3 t -143.79 156.75 44.6 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.984 0.914 . . . . 0.0 111.003 169.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 64.5 t-105 -81.68 134.64 35.49 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 124.475 1.11 . . . . 0.0 111.026 178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -144.52 112.11 6.14 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.131 0.972 . . . . 0.0 111.072 -175.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.19 -78.1 0.43 Allowed Glycine 0 CA--C 1.531 1.042 0 C-N-CA 123.95 0.786 . . . . 0.0 111.434 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -148.5 18.81 1.05 Allowed 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 125.14 1.376 . . . . 0.0 113.166 179.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -144.03 168.87 18.98 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 120.246 -1.534 . . . . 0.0 112.309 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -97.75 131.49 44.23 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 107.907 -1.146 . . . . 0.0 107.907 169.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.8 t -135.07 164.73 26.98 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.769 1.228 . . . . 0.0 110.723 176.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -106.3 124.3 49.37 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.567 1.547 . . . . 0.0 110.874 -175.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -111.65 178.46 4.32 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.673 178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 120.185 -1.572 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 p . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 121.38 0.609 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 79.2 m95 -88.6 134.83 33.77 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 121.468 -0.77 . . . . 0.0 112.514 171.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -136.99 151.26 48.78 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.979 1.312 . . . . 0.0 113.661 177.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.499 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 76.6 t-105 -89.36 118.53 29.1 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 126.016 1.726 . . . . 0.0 112.689 -176.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -112.95 89.57 3.11 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.181 1.392 . . . . 0.0 110.605 174.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.83 -78.83 1.84 Allowed Glycine 0 C--N 1.34 0.801 0 CA-C-N 115.216 -0.902 . . . . 0.0 113.965 174.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.499 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 1.9 t30 -134.93 21.03 3.5 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.684 1.194 . . . . 0.0 112.923 178.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -155.46 149.62 25.75 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 121.059 -1.025 . . . . 0.0 111.473 -175.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -82.73 146.56 28.95 Favored 'General case' 0 CA--C 1.549 0.918 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 170.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.0 t -142.12 163.73 32.08 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 127.13 2.172 . . . . 0.0 110.194 169.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -90.73 108.19 19.67 Favored 'General case' 0 N--CA 1.482 1.141 0 O-C-N 121.387 -0.82 . . . . 0.0 111.284 -174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.5 mttt -150.33 134.01 16.66 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 127.666 2.386 . . . . 0.0 112.443 176.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 O-C-N 120.524 -1.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.585 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 35.0 p . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -77.9 135.25 37.85 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 121.168 -0.958 . . . . 0.0 112.123 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 t -136.99 152.7 50.44 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.827 1.251 . . . . 0.0 110.551 172.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -89.7 111.37 22.33 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.849 1.26 . . . . 0.0 111.307 -171.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -86.34 60.32 6.16 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.38 1.872 . . . . 0.0 108.677 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.82 -50.55 4.14 Favored Glycine 0 CA--C 1.537 1.431 0 O-C-N 121.249 -0.907 . . . . 0.0 114.753 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.62 6.51 1.24 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.198 1.399 . . . . 0.0 113.506 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -149.23 161.18 42.53 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.606 1.163 . . . . 0.0 109.502 -172.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.4 m95 -92.03 145.51 24.47 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 121.137 1.79 . . . . 0.0 111.756 170.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 t -137.59 148.79 46.16 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.346 1.858 . . . . 0.0 111.644 171.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.585 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 73.4 t-105 -89.97 136.04 33.28 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.885 0.874 . . . . 0.0 111.674 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -91.34 73.3 6.13 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 126.668 1.987 . . . . 0.0 110.407 173.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.285 0.564 . . . . 0.0 112.072 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -61.34 128.64 37.31 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.636 ' HG1' ' N ' ' A' ' 13' ' ' NH2 . 99.4 m -139.11 133.75 31.95 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 128.846 2.858 . . . . 0.0 108.02 -173.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 69.8 t-105 -82.85 151.3 26.09 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.091 0.957 . . . . 0.0 112.343 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -123.4 4.36 9.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.529 1.531 . . . . 0.0 113.693 -176.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 96.66 -24.47 30.67 Favored Glycine 0 CA--C 1.534 1.223 0 C-N-CA 124.749 1.166 . . . . 0.0 113.705 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.58 7.45 1.12 Allowed 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.544 1.683 . . . . 0.0 115.544 169.494 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -154.91 161.34 41.45 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.285 1.434 . . . . 0.0 109.922 -176.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -106.55 131.35 53.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.221 2.209 . . . . 0.0 107.702 169.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.9 t -122.59 148.41 45.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 126.925 2.09 . . . . 0.0 110.085 176.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 68.9 t-105 -89.65 9.72 25.92 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.515 1.126 . . . . 0.0 111.845 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.92 3.31 49.03 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 128.304 2.641 . . . . 0.0 113.104 173.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . 0.636 ' N ' ' HG1' ' A' ' 3' ' ' THR . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 121.125 -0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.499 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 18.3 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -67.62 140.34 56.87 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 122.61 1.195 . . . . 0.0 112.898 172.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 m -147.28 136.15 22.17 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 126.854 2.062 . . . . 0.0 108.146 -179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 68.2 t-105 -65.17 137.99 57.98 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 121.693 0.758 . . . . 0.0 112.776 174.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -130.7 66.06 1.53 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.73 2.412 . . . . 0.0 109.007 -171.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.73 -68.44 3.01 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 121.131 -0.98 . . . . 0.0 114.339 -179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -142.71 14.34 1.94 Allowed 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.745 1.618 . . . . 0.0 112.035 -177.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -145.42 177.61 8.71 Favored 'General case' 0 CA--C 1.52 -0.194 0 O-C-N 121.046 -1.034 . . . . 0.0 109.877 175.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -101.78 163.98 11.97 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 122.024 0.916 . . . . 0.0 109.652 172.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.8 m -157.39 129.76 7.33 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 -174.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.499 ' CZ3' ' HA ' ' A' ' 1' ' ' SER . 69.5 t-105 -79.95 149.61 30.77 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.74 -0.6 . . . . 0.0 109.995 175.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -87.45 72.1 9.76 Favored 'General case' 0 N--CA 1.477 0.925 0 CA-C-O 122.146 0.974 . . . . 0.0 110.261 172.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 O-C-N 120.961 -1.087 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 N--CA 1.471 0.576 0 CA-C-O 120.473 0.178 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -85.46 141.54 29.86 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 121.285 -0.884 . . . . 0.0 111.351 172.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 81.0 p -131.47 150.95 51.96 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.002 1.721 . . . . 0.0 109.852 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.417 ' CZ2' ' HA ' ' A' ' 7' ' ' ASN . 53.2 t-105 -96.47 118.76 33.66 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.02 1.328 . . . . 0.0 110.106 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -126.35 108.93 11.69 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.415 1.086 . . . . 0.0 110.82 -176.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 69.23 -72.39 0.43 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.619 1.104 . . . . 0.0 112.945 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' HA ' ' CZ2' ' A' ' 4' ' ' TRP . 8.2 p-10 -145.86 3.34 0.95 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.923 1.689 . . . . 0.0 114.034 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 tttm -127.7 150.59 49.7 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.404 1.082 . . . . 0.0 111.699 -168.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -86.25 129.51 34.82 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.9 t -130.97 134.53 46.81 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 127.77 2.428 . . . . 0.0 110.094 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -76.8 136.46 38.96 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.444 0.698 . . . . 0.0 109.544 -178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -141.39 152.89 44.72 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 126.278 1.831 . . . . 0.0 111.399 177.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 121.676 -0.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.471 0.623 0 CA-C-O 121.071 0.462 . . . . 0.0 112.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.9 m95 -90.49 148.14 22.93 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 121.509 -0.745 . . . . 0.0 112.617 174.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.1 p -141.03 139.8 34.19 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.948 1.699 . . . . 0.0 111.336 175.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -81.65 140.09 34.59 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 111.102 171.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -112.55 18.15 18.63 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.874 1.67 . . . . 0.0 111.974 -176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 100.88 -31.39 8.67 Favored Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.669 1.605 . . . . 0.0 113.388 174.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.15 -2.22 2.07 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 126.353 1.861 . . . . 0.0 114.688 172.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -157.89 167.43 30.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 120.359 1.436 . . . . 0.0 112.166 -176.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -106.05 150.73 25.48 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.515 1.526 . . . . 0.0 111.89 -178.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.6 m -156.1 137.68 14.12 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.828 1.251 . . . . 0.0 111.625 -174.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -85.81 117.83 24.92 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.091 1.756 . . . . 0.0 110.044 -176.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -118.9 147.19 44.26 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.83 1.652 . . . . 0.0 110.383 -178.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.393 0 O-C-N 120.395 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_