==== 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 GENE REGULATION 05-APR-04 1SZD . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE HST2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.ZHAO,R.HARSHAW,X.CHAI,R.MARMORSTEIN . 299 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.4 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 . 20 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.4 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 2 0 1 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 2 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 0 116 0, 0.0 97,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 -11.4 -19.6 42.2 -29.0 2 -1 A A - 0 0 105 1,-0.1 2,-0.3 96,-0.0 269,-0.1 -0.103 360.0-177.0 -44.4 133.0 -22.0 39.6 -27.4 3 0 A S - 0 0 44 267,-0.1 2,-0.3 268,-0.1 -1,-0.1 -0.836 16.7-162.5-132.5 169.5 -20.8 36.1 -28.2 4 1 A M - 0 0 143 -2,-0.3 264,-0.3 0, 0.0 267,-0.2 -0.940 37.5 -81.6-145.5 164.3 -21.9 32.5 -27.7 5 2 A S - 0 0 41 -2,-0.3 262,-0.1 1,-0.1 5,-0.1 -0.361 33.8-125.9 -68.7 149.7 -20.2 29.1 -27.9 6 3 A V S S- 0 0 57 260,-0.2 2,-0.2 3,-0.1 -1,-0.1 0.840 86.9 -6.3 -66.2 -31.5 -19.9 27.5 -31.3 7 4 A S S S- 0 0 67 2,-0.4 -2,-0.1 1,-0.0 -1,-0.0 -0.827 84.7 -84.3-148.1-174.3 -21.6 24.3 -30.1 8 5 A T S S+ 0 0 150 -2,-0.2 2,-0.1 2,-0.1 -3,-0.0 0.763 97.0 100.0 -70.1 -24.7 -23.0 22.6 -27.0 9 6 A A S S- 0 0 59 1,-0.1 -2,-0.4 2,-0.0 2,-0.4 -0.414 76.1-129.7 -64.1 133.2 -19.5 21.4 -26.2 10 7 A S - 0 0 74 -2,-0.1 4,-0.2 1,-0.1 3,-0.1 -0.704 21.8-173.2 -89.1 136.7 -17.8 23.5 -23.5 11 8 A T > + 0 0 14 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 0.333 61.4 101.1-106.3 3.2 -14.3 24.9 -24.2 12 9 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.854 80.1 51.3 -57.0 -39.9 -13.9 26.3 -20.7 13 10 A M H > S+ 0 0 116 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.905 111.1 47.4 -66.0 -42.2 -11.8 23.4 -19.5 14 11 A S H > S+ 0 0 35 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.909 113.0 48.9 -64.5 -42.0 -9.4 23.7 -22.4 15 12 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.836 102.2 64.8 -65.9 -32.3 -9.2 27.4 -21.8 16 13 A R H X S+ 0 0 126 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.904 96.6 56.0 -56.1 -44.4 -8.5 26.7 -18.2 17 14 A K H X S+ 0 0 124 -4,-1.3 4,-3.0 -3,-0.3 -1,-0.2 0.925 104.9 51.8 -55.0 -48.2 -5.3 25.0 -19.1 18 15 A I H X S+ 0 0 1 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.933 112.1 45.6 -55.1 -48.6 -4.1 28.2 -20.9 19 16 A A H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.881 112.4 52.7 -62.3 -37.6 -4.8 30.3 -17.8 20 17 A A H X S+ 0 0 48 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.908 107.5 50.8 -64.4 -43.2 -3.1 27.6 -15.7 21 18 A H H X S+ 0 0 41 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.929 111.9 47.3 -60.1 -46.6 -0.0 27.7 -17.8 22 19 A M H < S+ 0 0 19 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.849 110.8 52.0 -64.4 -35.1 0.1 31.5 -17.5 23 20 A K H < S+ 0 0 119 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 110.8 47.4 -71.1 -31.8 -0.4 31.3 -13.8 24 21 A S H < S+ 0 0 94 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.818 119.0 41.2 -76.9 -31.7 2.5 28.9 -13.4 25 22 A N S >< S+ 0 0 29 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.3 -0.596 71.3 165.4-115.6 67.7 4.7 31.0 -15.6 26 23 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.774 75.9 48.8 -54.1 -33.9 3.8 34.5 -14.3 27 24 A N T 3 S+ 0 0 128 -3,-0.1 2,-0.1 2,-0.0 -4,-0.1 0.243 93.0 107.6 -93.6 14.1 6.8 36.3 -15.9 28 25 A A < - 0 0 13 -3,-2.0 2,-0.3 -6,-0.3 187,-0.1 -0.439 55.2-148.8 -88.5 164.4 6.1 34.6 -19.2 29 26 A K - 0 0 60 185,-0.3 188,-1.0 -2,-0.1 2,-0.4 -0.820 8.1-130.0-127.1 167.8 4.8 36.3 -22.4 30 27 A V E -ab 112 217A 4 81,-2.3 83,-2.9 -2,-0.3 84,-1.1 -0.938 4.3-150.7-124.1 143.4 2.7 35.2 -25.3 31 28 A I E -ab 114 218A 0 186,-2.5 188,-2.5 -2,-0.4 2,-0.4 -0.955 17.6-157.4-110.1 129.0 3.1 35.5 -29.0 32 29 A F E -ab 115 219A 0 82,-2.6 84,-3.3 -2,-0.5 2,-0.4 -0.855 10.5-168.3-107.3 145.1 -0.1 35.6 -31.0 33 30 A M E -ab 116 220A 1 186,-2.1 188,-2.8 -2,-0.4 2,-0.3 -0.977 23.7-179.2-130.7 114.3 -0.5 34.7 -34.7 34 31 A V E -ab 117 221A 0 82,-2.9 84,-2.0 -2,-0.4 85,-0.3 -0.858 15.7-177.5-125.9 156.8 -3.8 35.8 -36.1 35 32 A G > - 0 0 0 186,-1.9 3,-1.8 -2,-0.3 4,-0.3 -0.589 53.8 -60.9-131.2-167.0 -5.9 35.8 -39.2 36 33 A A G >> S+ 0 0 54 1,-0.3 3,-1.7 -2,-0.2 4,-0.5 0.697 114.2 77.2 -55.6 -24.9 -9.2 37.0 -40.7 37 34 A G G >4 S+ 0 0 27 185,-2.7 3,-0.8 1,-0.3 4,-0.4 0.813 86.5 59.7 -58.3 -30.8 -11.3 35.0 -38.2 38 35 A I G <4 S+ 0 0 0 -3,-1.8 62,-0.3 184,-0.4 -1,-0.3 0.602 107.9 45.7 -76.3 -7.8 -10.6 37.5 -35.4 39 36 A S G X4>S+ 0 0 4 -3,-1.7 3,-1.2 -4,-0.3 5,-0.9 0.402 83.2 93.5-111.7 0.6 -12.2 40.3 -37.3 40 37 A T G X<5S+ 0 0 95 -3,-0.8 3,-2.0 -4,-0.5 -2,-0.1 0.922 82.7 56.0 -60.6 -41.3 -15.3 38.5 -38.5 41 38 A S G 3 5S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.661 94.0 71.2 -65.4 -13.5 -17.4 39.7 -35.6 42 39 A C G < 5S- 0 0 25 -3,-1.2 53,-0.4 2,-0.1 -1,-0.3 0.569 113.6-114.8 -78.0 -9.9 -16.5 43.3 -36.6 43 40 A G T < 5 + 0 0 53 -3,-2.0 -3,-0.1 1,-0.3 -2,-0.1 0.626 57.1 160.8 86.4 13.4 -18.8 43.0 -39.6 44 41 A I < - 0 0 40 -5,-0.9 -1,-0.3 -4,-0.1 2,-0.2 -0.541 41.9-122.2 -69.0 123.1 -16.0 43.2 -42.2 45 42 A P - 0 0 22 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.515 16.9-125.8 -72.6 135.3 -17.4 41.7 -45.4 46 43 A D > - 0 0 65 -2,-0.2 3,-2.3 1,-0.1 6,-0.3 -0.707 10.8-150.0 -81.0 115.3 -15.5 38.8 -46.9 47 44 A F T 3 S+ 0 0 28 -2,-0.7 -1,-0.1 1,-0.3 11,-0.1 0.672 96.9 56.2 -60.2 -17.1 -14.7 39.7 -50.5 48 45 A R T 3 S+ 0 0 117 18,-0.0 -1,-0.3 17,-0.0 19,-0.1 0.437 88.9 94.3 -93.9 -2.0 -14.8 35.9 -51.3 49 46 A S X - 0 0 46 -3,-2.3 3,-2.1 1,-0.1 6,-0.4 -0.832 65.6-149.2-101.0 119.7 -18.4 35.5 -50.0 50 47 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.637 92.8 70.8 -56.3 -16.3 -21.4 35.8 -52.4 51 48 A G T 3 S+ 0 0 75 -5,-0.1 2,-0.3 4,-0.1 -3,-0.0 0.599 85.4 86.9 -79.9 -6.1 -23.5 37.2 -49.6 52 49 A T S <> S- 0 0 22 -3,-2.1 4,-1.7 -6,-0.3 5,-0.1 -0.647 75.0-136.0 -98.8 150.4 -21.7 40.5 -49.6 53 50 A G H > S+ 0 0 46 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.851 108.0 60.1 -65.8 -32.6 -22.2 43.6 -51.6 54 51 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 102.7 49.6 -60.8 -48.5 -18.4 43.7 -52.0 55 52 A Y H > S+ 0 0 72 -6,-0.4 4,-2.3 -9,-0.3 -1,-0.2 0.934 114.2 45.1 -57.0 -47.1 -18.3 40.4 -53.7 56 53 A H H X S+ 0 0 80 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.851 110.5 52.8 -69.2 -32.6 -21.1 41.3 -56.1 57 54 A N H X S+ 0 0 55 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.928 112.0 46.8 -66.0 -43.5 -19.6 44.8 -56.9 58 55 A L H <>S+ 0 0 4 -4,-2.5 5,-2.3 2,-0.2 -2,-0.2 0.885 111.9 50.7 -64.8 -39.2 -16.3 43.1 -57.7 59 56 A A H ><5S+ 0 0 50 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.916 109.3 50.6 -64.9 -42.8 -18.1 40.5 -59.9 60 57 A R H 3<5S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 104.0 58.6 -64.4 -29.8 -20.0 43.2 -61.8 61 58 A L T 3<5S- 0 0 52 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.377 122.0-110.5 -80.7 5.6 -16.6 45.0 -62.4 62 59 A K T < 5 + 0 0 180 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.708 53.5 170.2 73.6 25.3 -15.5 41.8 -64.1 63 60 A L < - 0 0 19 -5,-2.3 -1,-0.2 1,-0.1 4,-0.0 -0.522 32.3-139.3 -65.4 131.0 -13.0 40.7 -61.6 64 61 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.869 75.8 -15.3 -59.5 -44.6 -12.0 37.1 -62.7 65 62 A Y S > S- 0 0 125 1,-0.1 3,-2.0 -7,-0.0 4,-0.3 -0.959 78.2 -95.4-158.4 153.9 -11.9 35.6 -59.2 66 63 A P G > S+ 0 0 39 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.850 116.9 52.2 -41.4 -56.7 -11.8 37.1 -55.7 67 64 A E G > S+ 0 0 47 1,-0.3 3,-1.6 2,-0.2 120,-0.3 0.581 87.7 81.2 -65.7 -7.5 -8.1 37.0 -55.0 68 65 A A G X S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.712 78.1 72.5 -68.4 -17.0 -7.3 38.8 -58.3 69 66 A V G < S+ 0 0 3 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.716 101.6 43.1 -68.6 -18.5 -8.1 42.0 -56.4 70 67 A F G < S+ 0 0 9 -3,-1.6 117,-2.6 -4,-0.2 2,-0.5 -0.151 91.6 111.0-116.0 33.7 -4.8 41.4 -54.6 71 68 A D B <> -f 187 0B 42 -3,-1.6 4,-2.8 115,-0.2 5,-0.2 -0.951 58.5-150.7-112.7 124.9 -2.9 40.5 -57.8 72 69 A V H > S+ 0 0 25 115,-0.8 4,-2.5 -2,-0.5 5,-0.2 0.923 96.2 48.9 -58.9 -49.8 -0.3 43.0 -59.1 73 70 A D H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.910 114.8 45.4 -59.1 -43.4 -0.6 42.1 -62.7 74 71 A F H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.930 110.2 54.3 -66.6 -43.8 -4.4 42.4 -62.6 75 72 A F H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.926 108.1 49.5 -54.4 -47.6 -4.2 45.6 -60.6 76 73 A Q H < S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.0 46.2 -62.1 -32.4 -1.9 47.2 -63.3 77 74 A S H < S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 137.3 2.7 -80.8 -27.1 -4.4 46.1 -66.0 78 75 A D < + 0 0 53 -4,-2.3 4,-0.4 -5,-0.1 -1,-0.3 -0.629 59.1 177.7-163.2 95.7 -7.4 47.3 -64.1 79 76 A P > + 0 0 12 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.627 64.3 88.6 -77.4 -11.8 -7.1 49.1 -60.7 80 77 A L H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 82.5 53.8 -56.7 -47.0 -10.9 49.8 -60.3 81 78 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.938 112.6 45.2 -55.1 -45.6 -11.8 46.5 -58.5 82 79 A F H > S+ 0 0 3 -4,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.912 111.6 51.1 -64.0 -43.4 -9.1 47.1 -55.9 83 80 A Y H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 110.1 51.9 -59.2 -38.4 -10.1 50.8 -55.4 84 81 A T H X S+ 0 0 28 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.903 111.4 45.6 -63.8 -43.2 -13.6 49.5 -54.9 85 82 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.906 110.6 54.2 -67.0 -41.3 -12.5 47.1 -52.3 86 83 A A H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 -2,-0.2 0.876 103.3 56.4 -61.3 -37.3 -10.4 49.8 -50.6 87 84 A K H < S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.8 37.9 -61.4 -42.3 -13.3 52.1 -50.3 88 85 A E H < S+ 0 0 72 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 124.5 37.7 -78.6 -34.6 -15.3 49.5 -48.4 89 86 A L H < S+ 0 0 25 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.351 76.9 140.2-101.5 7.7 -12.5 48.1 -46.3 90 87 A Y >< - 0 0 22 -4,-1.3 3,-1.5 -5,-0.2 4,-0.1 -0.240 64.4-100.0 -54.8 131.9 -10.5 51.2 -45.5 91 88 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 31,-0.1 -0.198 109.3 43.8 -52.4 140.3 -9.3 51.1 -41.9 92 89 A G T 3 S+ 0 0 40 29,-0.3 -2,-0.1 2,-0.2 30,-0.0 0.221 85.9 94.6 105.7 -14.1 -11.5 53.2 -39.6 93 90 A N S < S+ 0 0 94 -3,-1.5 2,-0.2 -4,-0.1 -3,-0.1 0.594 89.4 38.0 -83.7 -12.7 -14.7 51.9 -41.1 94 91 A F S S- 0 0 37 27,-0.2 -2,-0.2 -4,-0.1 -51,-0.1 -0.740 77.7-123.1-129.7 176.9 -15.0 49.3 -38.4 95 92 A R - 0 0 159 -53,-0.4 28,-0.1 -2,-0.2 32,-0.1 -0.948 35.3 -92.4-126.5 147.8 -14.3 48.9 -34.8 96 93 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -57,-0.1 -0.120 38.9-125.0 -55.2 149.5 -12.2 46.3 -32.9 97 94 A S > - 0 0 4 -59,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.403 30.3 -98.5 -89.5 171.6 -13.6 43.1 -31.6 98 95 A K H > S+ 0 0 23 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.868 126.6 54.7 -58.2 -37.0 -13.5 41.8 -28.0 99 96 A F H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 103.2 53.8 -65.6 -40.1 -10.6 39.7 -29.1 100 97 A H H > S+ 0 0 0 -62,-0.3 4,-1.2 1,-0.2 3,-0.3 0.917 108.7 50.3 -59.8 -39.2 -8.7 42.7 -30.4 101 98 A Y H X S+ 0 0 53 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.800 100.8 63.1 -69.0 -26.8 -9.2 44.3 -27.0 102 99 A L H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.889 99.9 53.8 -63.0 -38.6 -7.8 41.1 -25.3 103 100 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.908 108.7 49.0 -61.0 -40.5 -4.5 41.8 -27.1 104 101 A K H X S+ 0 0 46 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.876 109.6 52.3 -66.0 -39.0 -4.6 45.3 -25.5 105 102 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 108.6 49.4 -61.8 -49.0 -5.3 43.7 -22.1 106 103 A F H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 6,-0.6 0.852 110.2 52.5 -58.7 -35.1 -2.4 41.4 -22.4 107 104 A Q H ><5S+ 0 0 20 -4,-1.7 3,-1.8 3,-0.2 -1,-0.2 0.949 108.1 49.8 -65.3 -48.3 -0.3 44.4 -23.4 108 105 A D H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 111.9 48.2 -57.8 -36.6 -1.5 46.2 -20.2 109 106 A K T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.411 113.4-123.9 -84.1 1.5 -0.6 43.2 -18.1 110 107 A D T < 5S+ 0 0 108 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.844 80.9 116.1 58.3 37.4 2.8 43.1 -19.9 111 108 A V < + 0 0 16 -5,-3.1 -81,-2.3 -6,-0.1 2,-0.6 0.173 44.2 101.0-116.8 14.8 2.3 39.5 -21.1 112 109 A L E +a 30 0A 3 -6,-0.6 -81,-0.2 -83,-0.2 3,-0.1 -0.896 37.6 171.1-104.7 115.7 2.2 40.3 -24.8 113 110 A K E - 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