==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-AUG-05 2AU5 . COMPND 2 MOLECULE: CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.E.CUFF,S.MOY,R.MULLIGAN,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 121 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -19.6 2.2 34.5 -1.4 2 1 A X + 0 0 198 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.843 360.0 50.6 -71.9 -41.5 3.1 32.4 -4.5 3 2 A L S S+ 0 0 152 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 0.369 90.8 82.7 -87.0 3.0 3.0 35.7 -6.5 4 3 A I S S- 0 0 129 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.922 83.8-137.9-101.6 103.9 5.3 37.6 -4.1 5 4 A L 0 0 166 -2,-0.7 -2,-0.1 1,-0.1 -3,-0.0 -0.222 360.0 360.0 -67.3 147.7 8.7 36.5 -5.4 6 5 A S 0 0 135 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.162 360.0 360.0-130.0 360.0 11.6 35.6 -3.0 7 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 8 10 A P 0 0 130 0, 0.0 111,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.9 19.2 34.5 5.4 9 11 A N > + 0 0 38 111,-0.1 3,-2.3 1,-0.1 4,-0.4 0.777 360.0 161.2 68.4 33.1 16.9 32.9 8.0 10 12 A F G > + 0 0 158 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.833 67.4 65.2 -51.0 -36.3 19.3 33.2 10.9 11 13 A E G 3 S+ 0 0 140 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.632 99.1 52.7 -65.7 -14.6 16.4 32.8 13.4 12 14 A Y G <> S+ 0 0 47 -3,-2.3 4,-2.3 1,-0.1 -1,-0.3 0.452 82.0 95.8 -97.9 -4.0 15.8 29.3 12.2 13 15 A E H <> S+ 0 0 72 -3,-1.8 4,-2.8 -4,-0.4 5,-0.3 0.933 85.3 44.0 -52.1 -56.2 19.5 28.2 12.7 14 16 A E H > S+ 0 0 165 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.930 115.5 48.0 -58.2 -48.6 19.0 26.6 16.2 15 17 A I H > S+ 0 0 89 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.858 112.6 50.6 -60.0 -35.5 15.8 24.8 15.2 16 18 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 109.8 47.3 -72.8 -45.1 17.5 23.5 12.0 17 19 A R H X S+ 0 0 78 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 114.0 50.4 -60.1 -38.9 20.6 22.1 13.8 18 20 A S H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.911 108.3 50.9 -64.5 -44.2 18.2 20.5 16.3 19 21 A F H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 114.0 45.4 -54.3 -52.1 16.1 19.0 13.5 20 22 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.912 112.4 49.7 -59.5 -46.8 19.3 17.6 11.9 21 23 A S H X S+ 0 0 50 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.864 113.2 47.8 -61.3 -41.3 20.7 16.3 15.2 22 24 A N H X S+ 0 0 64 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.913 108.6 52.6 -63.6 -47.9 17.3 14.6 16.0 23 25 A X H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 113.5 45.9 -53.8 -48.1 17.1 13.0 12.5 24 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.951 114.9 45.4 -57.3 -54.0 20.6 11.6 13.1 25 27 A A H X S+ 0 0 21 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.900 115.9 46.5 -59.2 -43.9 19.8 10.3 16.7 26 28 A F H X S+ 0 0 14 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.901 111.9 51.6 -67.3 -39.4 16.5 8.8 15.6 27 29 A T H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.931 113.6 43.5 -62.7 -45.9 18.1 7.2 12.5 28 30 A R H X S+ 0 0 54 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.937 113.2 51.1 -65.4 -44.2 20.9 5.6 14.6 29 31 A G H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.868 107.6 54.7 -61.1 -36.7 18.4 4.5 17.4 30 32 A H H < S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.918 114.8 38.8 -63.3 -44.7 16.2 2.9 14.8 31 33 A F H < S+ 0 0 138 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.818 127.4 32.3 -78.2 -27.5 19.1 0.8 13.5 32 34 A T H < S- 0 0 67 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.733 90.0-133.5 -98.9 -26.5 20.8 -0.0 16.8 33 35 A G < + 0 0 57 -4,-2.5 2,-0.7 -5,-0.3 -4,-0.1 0.443 61.1 140.0 76.2 0.9 17.8 -0.2 19.2 34 36 A D + 0 0 61 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.667 21.5 167.0 -79.1 112.8 20.0 1.9 21.4 35 37 A I > + 0 0 69 -2,-0.7 3,-1.1 -3,-0.1 -1,-0.1 -0.057 30.2 127.8-115.3 35.1 17.8 4.5 23.1 36 38 A S T 3 S+ 0 0 97 1,-0.3 2,-0.3 -7,-0.0 -1,-0.1 0.953 77.0 28.8 -66.7 -60.3 20.4 5.6 25.8 37 39 A H T 3 S+ 0 0 182 -3,-0.1 2,-0.5 -12,-0.1 -1,-0.3 -0.240 86.7 134.7 -96.5 52.1 20.5 9.5 25.4 38 40 A F < - 0 0 20 -3,-1.1 -3,-0.1 -2,-0.3 5,-0.0 -0.828 63.9-106.5 -87.3 131.6 16.9 9.8 24.1 39 41 A S > - 0 0 53 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.165 25.1-117.1 -43.8 141.1 15.0 12.7 25.7 40 42 A P H > S+ 0 0 109 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.834 116.4 55.4 -56.0 -28.5 12.4 11.6 28.3 41 43 A I H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.923 108.9 45.5 -71.1 -45.2 9.7 13.2 26.0 42 44 A V H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 110.2 55.4 -61.5 -43.6 10.8 11.1 23.0 43 45 A L H X S+ 0 0 62 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.906 108.1 48.9 -56.7 -41.1 10.9 8.0 25.2 44 46 A A H X S+ 0 0 59 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.855 107.8 53.7 -68.2 -37.6 7.2 8.7 26.2 45 47 A E H X S+ 0 0 93 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.867 107.0 52.5 -60.1 -38.8 6.2 9.1 22.5 46 48 A X H < S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 6,-0.2 0.830 102.1 60.6 -67.5 -33.3 7.7 5.7 21.7 47 49 A E H < S+ 0 0 170 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 108.5 41.7 -56.5 -49.3 5.7 4.1 24.5 48 50 A K H < S+ 0 0 162 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 123.8 36.4 -67.4 -38.6 2.4 5.1 22.9 49 51 A D >< - 0 0 34 -4,-1.7 3,-1.7 -5,-0.1 4,-0.3 -0.912 58.5-163.9-129.1 108.4 3.4 4.2 19.4 50 52 A P T 3 S+ 0 0 119 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.609 97.0 46.7 -65.0 -13.6 5.7 1.3 18.4 51 53 A N T 3> S+ 0 0 81 1,-0.1 4,-2.5 2,-0.1 5,-0.3 0.412 83.2 103.1-101.2 -1.3 6.4 2.7 14.9 52 54 A W H <> S+ 0 0 60 -3,-1.7 4,-2.3 1,-0.2 5,-0.1 0.864 80.1 45.6 -46.9 -47.7 7.1 6.2 16.2 53 55 A L H > S+ 0 0 19 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.929 114.5 44.3 -70.7 -48.9 10.8 6.1 15.9 54 56 A E H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.844 116.5 49.4 -58.9 -40.9 11.1 4.6 12.4 55 57 A E H X S+ 0 0 119 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.861 111.7 48.2 -69.8 -38.6 8.4 7.0 11.2 56 58 A A H X S+ 0 0 19 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.941 114.4 45.0 -66.4 -50.6 10.2 10.0 12.8 57 59 A A H X S+ 0 0 5 -4,-2.8 4,-2.2 -31,-0.2 -2,-0.2 0.933 119.1 41.3 -58.3 -49.5 13.6 9.1 11.3 58 60 A G H X S+ 0 0 41 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.878 113.5 53.2 -69.6 -40.9 12.1 8.4 7.8 59 61 A G H X S+ 0 0 42 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.918 112.2 46.0 -49.8 -52.5 9.8 11.4 7.9 60 62 A X H X S+ 0 0 22 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 112.1 49.1 -65.5 -41.8 12.7 13.7 8.7 61 63 A Q H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.926 111.0 52.5 -59.6 -44.1 15.0 12.2 6.0 62 64 A G H X S+ 0 0 25 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.911 106.7 51.7 -59.8 -45.6 12.2 12.6 3.5 63 65 A V H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.895 110.3 49.1 -59.6 -42.3 11.7 16.2 4.4 64 66 A I H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.944 114.7 44.0 -61.8 -49.6 15.5 16.9 3.9 65 67 A V H X S+ 0 0 19 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.949 115.4 46.7 -63.4 -48.4 15.6 15.2 0.5 66 68 A Q H < S+ 0 0 142 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.908 115.7 47.6 -65.1 -39.7 12.4 16.7 -0.9 67 69 A S H >< S+ 0 0 6 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.962 115.4 44.2 -56.9 -52.9 13.5 20.2 0.4 68 70 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 6,-0.3 0.544 91.8 79.7 -82.0 -7.5 17.0 19.8 -1.1 69 71 A L T 3< S+ 0 0 92 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.637 95.0 52.0 -69.4 -14.9 15.9 18.4 -4.5 70 72 A E T < S+ 0 0 136 -3,-1.3 2,-0.5 -4,-0.2 -1,-0.3 0.298 88.9 103.9 -99.2 5.8 15.1 22.1 -5.3 71 73 A D X - 0 0 26 -3,-1.5 3,-1.7 1,-0.1 50,-0.0 -0.828 68.1-143.4 -95.7 125.8 18.6 23.2 -4.3 72 74 A E T 3 S+ 0 0 190 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.647 90.7 81.0 -56.7 -21.3 21.0 24.0 -7.2 73 75 A N T 3 S+ 0 0 90 -5,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.586 86.9 58.7 -70.7 -12.0 23.9 22.6 -5.1 74 76 A F < - 0 0 21 -3,-1.7 3,-0.1 -6,-0.3 0, 0.0 -0.953 58.1-170.1-118.0 144.0 23.0 18.9 -6.1 75 77 A S S S+ 0 0 114 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.656 71.4 24.5-102.9 -26.6 23.0 17.6 -9.7 76 78 A S S > S- 0 0 60 1,-0.1 4,-1.5 0, 0.0 -1,-0.2 -0.920 72.5-119.4-134.7 162.9 21.4 14.2 -9.1 77 79 A V H > S+ 0 0 63 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.841 115.9 53.6 -61.7 -37.9 19.1 12.4 -6.6 78 80 A E H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 105.0 52.4 -76.6 -29.9 21.9 10.0 -6.0 79 81 A Q H > S+ 0 0 63 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.927 112.8 46.5 -62.2 -42.9 24.5 12.7 -5.2 80 82 A L H X S+ 0 0 1 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.946 116.1 42.3 -64.9 -50.7 22.0 14.1 -2.7 81 83 A K H X S+ 0 0 101 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.863 112.2 56.6 -62.6 -38.2 21.1 10.8 -1.0 82 84 A G H X S+ 0 0 36 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.876 108.2 47.5 -56.5 -43.7 24.9 9.9 -1.1 83 85 A E H X S+ 0 0 21 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.889 113.8 46.1 -69.3 -41.1 25.7 13.0 0.9 84 86 A L H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 112.5 51.1 -64.8 -46.0 22.9 12.4 3.4 85 87 A A H X S+ 0 0 57 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.903 109.7 51.7 -59.8 -35.8 24.0 8.7 3.7 86 88 A R H X S+ 0 0 79 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 107.6 49.8 -68.5 -45.2 27.5 9.9 4.3 87 89 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.919 113.3 48.4 -53.4 -46.8 26.5 12.4 7.1 88 90 A I H X S+ 0 0 22 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.924 110.2 50.7 -60.6 -46.8 24.6 9.5 8.7 89 91 A R H X S+ 0 0 137 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.929 111.2 48.1 -58.9 -44.9 27.5 7.1 8.4 90 92 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.845 107.9 55.5 -63.8 -39.7 29.9 9.6 10.0 91 93 A Y H X S+ 0 0 46 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.865 104.2 53.6 -59.6 -39.7 27.5 10.2 12.8 92 94 A F H X S+ 0 0 60 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.938 111.8 45.5 -62.4 -43.5 27.4 6.4 13.6 93 95 A A H ><>S+ 0 0 16 -4,-1.9 5,-3.0 1,-0.2 3,-0.5 0.889 111.7 52.9 -61.9 -43.4 31.2 6.5 13.8 94 96 A L H ><5S+ 0 0 59 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.863 100.5 60.9 -57.6 -41.7 31.0 9.7 16.0 95 97 A A H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 110.8 40.9 -61.9 -26.6 28.6 8.1 18.4 96 98 A K T <<5S- 0 0 130 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.088 116.3-112.0-108.2 25.6 31.2 5.5 19.2 97 99 A D T < 5S+ 0 0 138 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.857 76.9 132.4 46.8 44.4 34.1 8.0 19.3 98 100 A N < + 0 0 94 -5,-3.0 2,-0.4 -8,-0.1 -4,-0.2 -0.189 31.0 108.0-114.9 37.3 35.6 6.3 16.1 99 101 A L - 0 0 17 -6,-0.2 2,-0.1 -5,-0.2 -9,-0.0 -0.929 60.8-134.8-111.1 139.7 36.4 9.4 13.9 100 102 A T > - 0 0 84 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.452 37.4-101.8 -70.8 168.9 39.9 10.7 13.1 101 103 A E H > S+ 0 0 156 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.888 125.9 52.8 -53.3 -44.4 40.3 14.5 13.4 102 104 A N H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 108.9 48.2 -64.1 -39.9 40.1 14.7 9.6 103 105 A Q H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.841 107.4 56.0 -67.7 -34.5 36.8 12.7 9.6 104 106 A E H X S+ 0 0 74 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.870 106.7 50.8 -62.4 -40.2 35.5 15.0 12.3 105 107 A S H X S+ 0 0 65 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 111.0 48.3 -57.7 -50.7 36.2 18.0 10.0 106 108 A L H X S+ 0 0 72 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.936 112.5 49.4 -55.3 -48.0 34.3 16.2 7.2 107 109 A Y H X S+ 0 0 24 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.944 113.6 43.9 -55.7 -52.5 31.4 15.5 9.6 108 110 A V H X S+ 0 0 71 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.883 113.0 52.2 -65.9 -40.5 31.1 19.1 10.8 109 111 A D H X S+ 0 0 102 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.912 113.3 44.1 -59.6 -45.4 31.5 20.5 7.3 110 112 A L H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.879 112.5 51.3 -68.3 -39.1 28.7 18.3 6.0 111 113 A F H X S+ 0 0 17 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.933 113.3 45.9 -63.9 -42.7 26.5 19.0 9.0 112 114 A D H X S+ 0 0 59 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.871 110.5 53.5 -66.9 -40.3 27.0 22.8 8.5 113 115 A K H X S+ 0 0 69 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.947 111.3 45.1 -58.1 -50.4 26.4 22.4 4.7 114 116 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.895 113.7 51.0 -59.7 -41.6 23.1 20.7 5.3 115 117 A T H X S+ 0 0 3 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.946 113.3 44.7 -58.9 -53.6 22.2 23.3 8.0 116 118 A F H X S+ 0 0 129 -4,-3.0 4,-1.0 2,-0.2 -2,-0.2 0.897 114.4 47.5 -56.2 -46.9 23.0 26.1 5.6 117 119 A L H < S+ 0 0 5 -4,-2.7 4,-0.4 1,-0.2 3,-0.2 0.868 110.5 51.9 -74.3 -31.2 21.1 24.7 2.6 118 120 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 0.897 106.5 54.1 -68.2 -38.3 18.1 23.9 4.7 119 121 A L H 3< S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.2 51.6 -61.6 -25.8 18.0 27.5 5.9 120 122 A C T 3< S+ 0 0 66 -4,-1.0 2,-0.7 -3,-0.2 -1,-0.3 0.515 89.7 97.7 -87.6 -7.3 18.0 28.5 2.3 121 123 A S <> - 0 0 7 -3,-1.2 4,-2.7 -4,-0.4 5,-0.2 -0.751 54.6-165.9 -92.2 114.5 15.1 26.2 1.4 122 124 A D H > S+ 0 0 68 -2,-0.7 4,-3.0 1,-0.2 -1,-0.2 0.902 93.5 53.7 -57.9 -42.6 11.7 28.0 1.4 123 125 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 109.3 47.1 -61.4 -44.6 10.0 24.6 1.4 124 126 A F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 111.6 50.9 -63.3 -43.4 12.0 23.6 4.5 125 127 A I H X S+ 0 0 15 -4,-2.7 4,-2.4 -7,-0.2 -2,-0.2 0.935 108.1 53.1 -58.4 -44.3 11.2 26.9 6.2 126 128 A X H X S+ 0 0 124 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.938 109.4 50.2 -52.1 -48.3 7.4 26.3 5.3 127 129 A Y H < S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.0 48.0 -61.4 -39.7 7.7 23.0 7.0 128 130 A L H < S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 104.6 58.3 -67.7 -37.9 9.3 24.4 10.2 129 131 A D H < 0 0 104 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 360.0 360.0 -61.9 -44.3 6.7 27.2 10.5 130 132 A S < 0 0 137 -4,-1.8 -1,-0.2 -5,-0.2 -4,-0.0 -0.855 360.0 360.0 164.9 360.0 4.4 24.1 10.6