==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-06 2OD7 . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE HST2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.Q.MARMORSTEIN,B.D.SANDERS . 297 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 11 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 1 0 2 1 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 3 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 . 2 2 0 1 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 . 1 1 0 0 1 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 -2 A M 0 0 118 0, 0.0 97,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 -17.7 33.5 49.7 18.5 2 -1 A A - 0 0 108 1,-0.1 2,-0.3 96,-0.0 267,-0.1 -0.170 360.0-170.7 -46.6 125.5 31.0 52.4 17.0 3 0 A S - 0 0 42 265,-0.1 2,-0.3 266,-0.1 -1,-0.1 -0.877 16.6-167.3-124.4 165.5 32.3 55.9 17.6 4 1 A M - 0 0 147 -2,-0.3 262,-0.3 0, 0.0 265,-0.2 -0.926 35.7 -87.1-135.9 161.5 31.2 59.6 17.3 5 2 A S - 0 0 45 -2,-0.3 260,-0.1 1,-0.1 5,-0.1 -0.424 30.0-128.3 -65.2 147.8 32.8 63.0 17.4 6 3 A V S S- 0 0 63 258,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.861 84.9 -6.7 -67.4 -31.6 33.2 64.7 20.7 7 4 A S S S- 0 0 60 2,-0.4 -2,-0.1 1,-0.0 -1,-0.0 -0.776 83.2 -84.5-152.2-177.9 31.6 67.9 19.5 8 5 A T S S+ 0 0 151 -2,-0.2 -3,-0.0 2,-0.1 -1,-0.0 0.856 97.0 98.0 -67.2 -34.5 30.1 69.7 16.4 9 6 A A S S- 0 0 65 1,-0.1 -2,-0.4 2,-0.0 2,-0.3 -0.259 76.6-129.4 -40.3 132.4 33.7 70.9 15.5 10 7 A S - 0 0 85 1,-0.1 4,-0.1 -5,-0.1 -1,-0.1 -0.747 21.3-172.6 -95.9 139.6 35.2 68.6 12.8 11 8 A T > + 0 0 16 -2,-0.3 4,-2.8 2,-0.1 5,-0.2 0.311 60.6 103.5-106.8 1.9 38.8 67.3 13.4 12 9 A E H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.867 81.0 48.9 -57.5 -36.1 39.2 65.8 9.9 13 10 A M H > S+ 0 0 122 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 111.2 47.4 -75.1 -44.2 41.4 68.6 8.8 14 11 A S H > S+ 0 0 36 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.920 113.7 49.1 -57.6 -43.0 43.7 68.5 11.7 15 12 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.5 0.880 104.0 61.6 -66.9 -40.8 43.9 64.7 11.2 16 13 A R H X S+ 0 0 133 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.861 96.0 58.6 -45.3 -46.8 44.6 65.3 7.5 17 14 A K H X S+ 0 0 124 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.884 104.0 53.0 -50.6 -40.0 47.8 67.2 8.4 18 15 A I H X S+ 0 0 5 -4,-1.0 4,-2.0 -3,-0.5 -2,-0.2 0.953 109.9 47.2 -66.2 -46.6 49.1 64.0 10.2 19 16 A A H X S+ 0 0 3 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.839 109.6 53.3 -60.0 -35.7 48.4 61.9 7.2 20 17 A A H X S+ 0 0 50 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.891 106.6 52.9 -75.1 -29.6 50.2 64.5 4.9 21 18 A H H X S+ 0 0 41 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.929 111.6 45.3 -69.4 -38.1 53.3 64.4 7.1 22 19 A M H < S+ 0 0 25 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.763 112.6 51.7 -70.2 -31.3 53.5 60.5 6.8 23 20 A K H < S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.928 111.7 46.9 -73.5 -39.5 52.8 60.7 3.0 24 21 A S H < S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.642 119.3 40.7 -70.5 -22.7 55.6 63.2 2.6 25 22 A N S >< S+ 0 0 32 -4,-0.8 3,-1.6 -5,-0.2 -1,-0.2 -0.629 72.9 169.2-126.1 70.4 58.0 61.1 4.7 26 23 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.610 72.6 46.1 -67.7 -21.8 57.2 57.6 3.5 27 24 A N T 3 S+ 0 0 139 2,-0.1 2,-0.1 84,-0.0 -5,-0.0 0.018 92.5 107.7 -97.6 13.9 60.1 55.5 5.3 28 25 A A < - 0 0 14 -3,-1.6 2,-0.3 -6,-0.2 185,-0.1 -0.451 56.1-149.8 -91.1 167.8 59.6 57.4 8.6 29 26 A K - 0 0 60 183,-0.3 186,-1.2 -2,-0.1 2,-0.4 -0.869 7.8-126.5-138.9 165.2 58.0 55.7 11.8 30 27 A V E -ab 112 215A 3 81,-2.1 83,-2.5 -2,-0.3 84,-1.0 -0.898 5.2-149.6-123.6 134.8 55.9 56.9 14.8 31 28 A I E -ab 114 216A 0 184,-2.0 186,-2.1 -2,-0.4 2,-0.3 -0.967 18.8-156.3 -98.8 125.5 56.5 56.5 18.5 32 29 A F E -ab 115 217A 0 82,-2.5 84,-3.1 -2,-0.5 2,-0.4 -0.831 11.3-169.1-100.8 141.2 53.1 56.4 20.6 33 30 A M E +ab 116 218A 1 184,-1.8 186,-2.7 -2,-0.3 2,-0.3 -0.990 24.5 173.8-126.9 122.4 52.8 57.4 24.3 34 31 A V E -ab 117 219A 0 82,-2.2 84,-2.1 -2,-0.4 85,-0.3 -0.927 15.5-177.9-137.8 154.5 49.3 56.3 25.6 35 32 A G > - 0 0 0 184,-1.7 3,-1.7 -2,-0.3 4,-0.3 -0.528 54.5 -55.1-138.7-159.6 47.4 56.1 28.9 36 33 A A G >> S+ 0 0 57 1,-0.3 3,-1.5 -2,-0.2 4,-0.6 0.718 114.8 76.4 -67.1 -19.3 44.0 55.0 30.3 37 34 A G G >4 S+ 0 0 27 183,-2.3 3,-0.7 1,-0.2 4,-0.5 0.816 89.5 59.2 -55.7 -38.2 41.9 57.1 27.8 38 35 A I G <4 S+ 0 0 0 -3,-1.7 62,-0.3 182,-0.5 -1,-0.2 0.661 107.4 45.3 -68.6 -15.9 42.6 54.5 25.0 39 36 A S G X4>S+ 0 0 4 -3,-1.5 3,-1.4 -4,-0.3 5,-0.9 0.465 85.8 93.0-105.4 -0.9 41.0 51.6 27.0 40 37 A T G X<5S+ 0 0 97 -3,-0.7 3,-1.9 -4,-0.6 -2,-0.1 0.931 83.2 55.7 -63.2 -37.5 37.7 53.5 28.1 41 38 A S G 3 5S+ 0 0 66 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.698 94.5 68.9 -71.2 -14.7 35.8 52.3 25.2 42 39 A C G < 5S- 0 0 25 -3,-1.4 53,-0.3 2,-0.1 -1,-0.3 0.508 113.9-111.6 -79.9 -5.5 36.7 48.7 26.2 43 40 A G T < 5 + 0 0 54 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.639 58.1 162.2 83.8 14.1 34.4 49.0 29.3 44 41 A I < - 0 0 41 -5,-0.9 -1,-0.3 -4,-0.1 2,-0.2 -0.585 41.1-123.0 -65.2 121.5 37.3 48.8 31.9 45 42 A P - 0 0 24 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.484 16.0-127.8 -73.4 132.2 35.9 50.2 35.2 46 43 A D > - 0 0 63 -2,-0.2 3,-2.1 1,-0.1 6,-0.3 -0.756 10.3-150.4 -82.1 115.8 37.7 53.1 36.6 47 44 A F T 3 S+ 0 0 30 -2,-0.7 -1,-0.1 1,-0.3 11,-0.1 0.690 96.1 56.6 -64.1 -18.9 38.6 52.2 40.3 48 45 A R T 3 S+ 0 0 125 17,-0.0 -1,-0.3 18,-0.0 19,-0.1 0.569 89.4 92.4 -89.7 -6.8 38.4 56.1 41.1 49 46 A S X - 0 0 43 -3,-2.1 3,-2.4 1,-0.1 6,-0.4 -0.752 65.3-151.3 -93.8 117.9 34.9 56.4 39.8 50 47 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.612 91.1 74.0 -59.3 -11.9 31.9 56.1 42.2 51 48 A G T 3 S+ 0 0 75 -5,-0.1 2,-0.2 4,-0.0 -3,-0.0 0.613 85.6 86.9 -75.8 -5.0 29.7 54.9 39.3 52 49 A T S <> S- 0 0 21 -3,-2.4 4,-1.5 -6,-0.3 5,-0.1 -0.632 75.6-135.8-101.2 152.9 31.5 51.5 39.3 53 50 A G H > S+ 0 0 47 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.901 108.2 59.7 -62.3 -35.4 31.0 48.3 41.3 54 51 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 102.5 51.3 -57.8 -53.5 34.8 48.2 41.8 55 52 A Y H > S+ 0 0 73 -6,-0.4 4,-2.3 -9,-0.3 -1,-0.2 0.906 111.0 46.9 -49.2 -49.3 34.8 51.5 43.6 56 53 A H H X S+ 0 0 79 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.845 110.3 51.6 -75.3 -25.9 32.1 50.5 46.0 57 54 A N H X S+ 0 0 57 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.905 111.7 48.2 -70.9 -39.4 33.7 47.1 46.9 58 55 A L H <>S+ 0 0 5 -4,-2.2 5,-2.2 1,-0.2 -2,-0.2 0.930 111.8 48.9 -70.8 -39.8 37.0 48.8 47.6 59 56 A A H ><5S+ 0 0 52 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.935 109.8 51.8 -64.6 -44.5 35.3 51.4 49.8 60 57 A R H 3<5S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 104.7 57.0 -58.7 -35.9 33.3 48.6 51.7 61 58 A L T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.372 123.0-110.3 -74.8 4.0 36.7 46.8 52.3 62 59 A K T < 5 + 0 0 185 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.692 54.0 168.6 70.8 21.4 37.9 50.1 54.0 63 60 A L < - 0 0 17 -5,-2.2 -1,-0.3 1,-0.1 4,-0.0 -0.545 32.1-141.8 -55.7 132.7 40.4 51.2 51.5 64 61 A P S S- 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.761 74.5 -11.4 -72.4 -35.0 41.1 54.8 52.7 65 62 A Y S > S- 0 0 125 1,-0.1 3,-1.5 -7,-0.0 4,-0.3 -0.914 79.0 -99.0-160.4 156.8 41.3 56.4 49.1 66 63 A P G > S+ 0 0 36 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.840 114.3 55.1 -50.9 -51.7 41.6 54.8 45.6 67 64 A E G > S+ 0 0 53 1,-0.3 3,-1.5 2,-0.2 120,-0.2 0.530 87.0 81.0 -68.8 -6.2 45.3 55.0 44.9 68 65 A A G X S+ 0 0 1 -3,-1.5 3,-1.6 1,-0.3 -1,-0.3 0.683 77.2 73.4 -66.8 -23.9 46.1 53.1 48.2 69 66 A V G < S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.671 101.0 43.2 -60.5 -21.3 45.3 49.9 46.2 70 67 A F G < S+ 0 0 8 -3,-1.5 117,-2.4 -4,-0.1 2,-0.4 -0.200 92.8 109.7-115.3 37.1 48.7 50.5 44.5 71 68 A D B <> -f 187 0B 46 -3,-1.6 4,-2.8 115,-0.2 5,-0.2 -0.938 60.3-146.0-120.9 129.3 50.7 51.5 47.6 72 69 A V H > S+ 0 0 32 115,-0.7 4,-2.3 -2,-0.4 5,-0.2 0.945 97.0 47.3 -62.4 -51.8 53.3 49.2 49.0 73 70 A D H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.918 114.6 48.8 -56.3 -43.7 52.9 49.9 52.7 74 71 A F H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.945 108.2 51.3 -62.4 -49.1 49.2 49.5 52.4 75 72 A F H < S+ 0 0 2 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.945 108.6 53.6 -55.9 -40.2 49.2 46.2 50.4 76 73 A Q H < S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.879 112.1 44.6 -66.3 -33.5 51.6 44.7 53.1 77 74 A S H < S+ 0 0 91 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.737 138.3 2.2 -74.7 -30.4 49.2 45.6 55.9 78 75 A D < - 0 0 55 -4,-2.0 4,-0.3 -3,-0.3 -1,-0.2 -0.644 57.8-179.9-165.9 95.2 46.1 44.4 54.0 79 76 A P > + 0 0 12 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.585 64.6 92.3 -76.1 -10.3 46.3 42.7 50.5 80 77 A L H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.836 81.6 51.4 -57.5 -51.5 42.5 42.2 50.1 81 78 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 114.0 45.7 -46.5 -46.8 41.7 45.5 48.3 82 79 A F H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.3 -2,-0.2 0.882 112.0 50.9 -74.2 -39.4 44.4 44.7 45.6 83 80 A Y H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.3 0.874 109.9 49.4 -63.6 -41.8 43.3 41.1 45.2 84 81 A T H X S+ 0 0 28 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.866 112.5 48.9 -61.0 -43.8 39.6 42.2 44.7 85 82 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.2 0.882 109.5 52.9 -58.3 -49.4 40.8 44.8 42.0 86 83 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.901 104.9 55.7 -59.1 -35.4 43.0 42.1 40.3 87 84 A K H < S+ 0 0 91 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.923 113.7 38.4 -66.6 -39.9 40.0 39.9 40.1 88 85 A E H < S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.796 124.9 37.9 -76.2 -32.7 37.9 42.5 38.2 89 86 A L H < S+ 0 0 23 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.318 77.7 139.6-103.0 2.3 40.8 43.8 36.0 90 87 A Y >< - 0 0 25 -4,-1.1 3,-1.2 -3,-0.2 4,-0.1 -0.322 64.1 -98.0 -61.7 134.7 42.7 40.7 35.2 91 88 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 -0.111 108.9 41.5 -53.1 140.1 44.0 40.6 31.5 92 89 A G T 3 S+ 0 0 42 29,-0.3 -2,-0.1 2,-0.1 30,-0.0 0.302 87.1 91.8 106.8 -4.6 41.7 38.6 29.3 93 90 A N S < S+ 0 0 100 -3,-1.2 2,-0.2 -4,-0.1 -3,-0.1 0.561 89.2 45.1 -93.1 -7.9 38.4 39.8 30.8 94 91 A F S S- 0 0 39 27,-0.1 -2,-0.1 -4,-0.1 -51,-0.1 -0.745 76.0-129.1-130.3 166.1 38.3 42.7 28.1 95 92 A R - 0 0 168 -53,-0.3 28,-0.1 -2,-0.2 32,-0.0 -0.972 34.1 -96.4-120.7 146.4 38.8 43.0 24.3 96 93 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -57,-0.1 -0.105 38.1-123.1 -63.4 152.3 41.0 45.6 22.5 97 94 A S > - 0 0 5 -59,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.483 29.9 -98.7 -82.9 172.7 39.5 48.8 21.1 98 95 A K H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.851 126.6 55.9 -55.3 -36.6 39.6 50.1 17.5 99 96 A F H > S+ 0 0 0 -61,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.910 103.6 53.0 -66.7 -44.1 42.6 52.3 18.6 100 97 A H H > S+ 0 0 0 -62,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.901 107.1 51.6 -53.1 -41.7 44.5 49.3 19.8 101 98 A Y H X S+ 0 0 59 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.818 101.3 63.1 -72.1 -24.4 44.0 47.6 16.4 102 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.915 100.1 52.5 -64.8 -41.2 45.4 50.9 14.7 103 100 A L H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.896 109.7 48.9 -57.3 -40.3 48.7 50.2 16.5 104 101 A K H X S+ 0 0 53 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.899 110.2 50.9 -69.7 -41.4 48.6 46.7 15.0 105 102 A L H X S+ 0 0 2 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.931 108.7 51.6 -59.8 -39.6 47.9 48.1 11.5 106 103 A F H <>S+ 0 0 0 -4,-2.6 5,-3.4 1,-0.2 6,-0.5 0.881 110.6 49.2 -64.3 -43.5 50.9 50.6 11.8 107 104 A Q H ><5S+ 0 0 18 -4,-1.6 3,-1.4 3,-0.2 -1,-0.2 0.863 107.5 54.0 -61.5 -39.3 53.1 47.6 12.7 108 105 A D H 3<5S+ 0 0 86 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.793 111.0 45.9 -68.7 -26.0 51.8 45.6 9.8 109 106 A K T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.197 115.9-117.3 -94.5 8.5 52.8 48.6 7.5 110 107 A D T < 5S+ 0 0 113 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.792 82.8 116.7 55.5 35.9 56.1 48.9 9.2 111 108 A V < + 0 0 18 -5,-3.4 -81,-2.1 -6,-0.2 2,-0.6 0.242 43.2 99.5-115.9 24.3 55.6 52.4 10.6 112 109 A L E +a 30 0A 2 -6,-0.5 -81,-0.2 -83,-0.2 3,-0.1 -0.884 36.0 171.5-109.0 108.4 55.7 51.7 14.4 113 110 A K E - 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