==== 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 HYDROLASE 18-JUL-03 1Q14 . COMPND 2 MOLECULE: HST2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR K.ZHAO,X.CHAI,A.CLEMENTS,R.MARMORSTEIN . 289 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.8 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 . 1 0.3 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 . 16 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 2 1 0 0 2 1 1 1 0 0 1 0 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 . 1 1 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 . 0 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 -3 A G > 0 0 98 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.8 28.8 24.9 25.3 2 -2 A M T 3 + 0 0 130 1,-0.2 4,-0.1 223,-0.0 244,-0.0 0.543 360.0 42.2 -78.2 -5.8 32.6 25.6 25.4 3 -1 A A T 3 S+ 0 0 106 2,-0.1 2,-0.3 243,-0.0 -1,-0.2 0.122 87.9 115.9-123.0 16.2 33.2 21.8 25.1 4 0 A S S < S- 0 0 65 -3,-1.0 0, 0.0 1,-0.1 0, 0.0 -0.640 82.9 -85.4 -86.1 145.9 30.6 21.1 22.5 5 1 A M + 0 0 195 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.230 66.7 156.1 -52.1 133.0 31.8 19.8 19.1 6 2 A S - 0 0 60 -3,-0.1 2,-0.4 -4,-0.1 4,-0.0 -0.982 37.5-120.3-157.3 165.6 32.7 22.8 16.9 7 3 A V - 0 0 87 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.892 16.5-137.0-115.4 144.1 34.8 24.0 13.9 8 4 A S S S+ 0 0 57 -2,-0.4 241,-1.1 240,-0.1 -1,-0.2 0.989 94.2 6.1 -58.2 -76.9 37.4 26.7 13.8 9 5 A T S S+ 0 0 47 239,-0.2 242,-0.1 241,-0.0 6,-0.1 0.913 87.1 168.1 -81.1 -47.1 36.7 28.7 10.6 10 6 A A - 0 0 29 4,-0.1 2,-0.2 240,-0.1 -2,-0.0 0.266 48.4 -48.0 54.0 174.2 33.4 27.2 9.4 11 7 A S >> - 0 0 62 1,-0.1 4,-2.4 239,-0.1 3,-0.6 -0.552 50.9-118.4 -81.0 144.7 31.3 28.6 6.6 12 8 A T H 3> S+ 0 0 29 1,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.881 112.8 54.9 -44.3 -49.8 30.4 32.3 6.8 13 9 A E H 3> S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 110.5 43.7 -55.4 -45.5 26.7 31.5 7.0 14 10 A M H <> S+ 0 0 85 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.901 113.7 51.3 -69.8 -39.5 27.0 29.3 10.0 15 11 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.937 111.6 46.1 -62.1 -48.0 29.4 31.7 11.8 16 12 A V H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.893 113.0 51.6 -62.4 -38.6 27.1 34.6 11.3 17 13 A R H X S+ 0 0 143 -4,-1.8 4,-3.0 -5,-0.3 -2,-0.2 0.909 108.6 50.2 -64.9 -42.3 24.2 32.4 12.5 18 14 A K H X S+ 0 0 69 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.861 110.1 51.0 -64.7 -35.3 26.1 31.4 15.6 19 15 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.945 113.8 42.8 -66.8 -48.7 26.9 35.0 16.4 20 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.921 113.7 54.1 -62.3 -42.2 23.3 36.1 16.1 21 17 A A H X S+ 0 0 49 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.955 106.8 50.6 -55.7 -50.7 22.3 32.9 18.0 22 18 A H H < S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.863 113.0 46.6 -55.9 -38.2 24.7 33.9 20.8 23 19 A M H >< S+ 0 0 16 -4,-1.9 3,-0.8 2,-0.2 -1,-0.2 0.867 109.6 52.7 -73.5 -37.6 23.1 37.4 20.9 24 20 A K H 3< S+ 0 0 111 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.0 40.9 -65.3 -41.0 19.5 36.1 20.9 25 21 A S T 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.341 120.1 48.7 -88.5 6.9 20.1 33.8 23.8 26 22 A N S X S+ 0 0 32 -3,-0.8 3,-0.5 -5,-0.2 -1,-0.2 -0.321 73.8 163.8-139.6 52.9 22.2 36.4 25.5 27 23 A P T 3 + 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.236 66.2 39.3 -66.7 166.3 20.1 39.6 25.4 28 24 A N T 3 S+ 0 0 136 1,-0.2 2,-0.5 70,-0.0 71,-0.1 0.814 91.0 119.9 61.9 26.6 21.2 42.4 27.7 29 25 A A < - 0 0 7 -3,-0.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.981 56.4-145.4-125.1 113.0 24.7 41.4 26.9 30 26 A K - 0 0 51 -2,-0.5 172,-0.9 -3,-0.1 2,-0.4 -0.289 7.5-132.5 -76.0 164.9 26.8 44.1 25.3 31 27 A V E -ab 100 202A 2 68,-1.8 70,-2.0 170,-0.2 71,-1.3 -0.944 6.3-149.0-121.5 139.6 29.4 43.7 22.6 32 28 A I E -ab 102 203A 0 170,-2.3 172,-2.6 -2,-0.4 2,-0.3 -0.910 15.9-158.2-106.3 134.3 33.0 45.1 22.5 33 29 A F E -ab 103 204A 0 69,-2.9 71,-2.7 -2,-0.4 2,-0.4 -0.872 11.7-169.5-113.2 148.2 34.4 45.8 19.0 34 30 A M E +ab 104 205A 1 170,-2.0 172,-2.2 -2,-0.3 2,-0.3 -0.955 24.2 178.3-137.2 112.3 38.1 46.2 18.1 35 31 A V E -ab 105 206A 0 69,-3.1 71,-1.6 -2,-0.4 72,-0.3 -0.855 15.8-173.1-127.2 157.5 38.6 47.5 14.6 36 32 A G > - 0 0 0 170,-1.6 3,-2.1 -2,-0.3 172,-0.2 -0.589 54.5 -59.6-128.8-169.8 41.2 48.5 12.0 37 33 A A G >> S+ 0 0 10 1,-0.3 3,-1.6 -2,-0.2 4,-0.5 0.676 114.2 80.3 -47.5 -23.8 41.7 50.1 8.6 38 34 A G G 34 S+ 0 0 25 169,-3.0 216,-0.4 1,-0.3 4,-0.3 0.581 82.4 59.9 -67.4 -9.6 39.6 47.4 7.1 39 35 A I G <4 S+ 0 0 0 -3,-2.1 49,-0.3 168,-0.4 46,-0.3 0.405 111.3 40.0 -98.4 5.3 36.2 48.9 8.0 40 36 A S T X4 S+ 0 0 12 -3,-1.6 3,-0.6 -4,-0.2 -2,-0.2 0.316 90.2 88.0-127.7 -0.2 37.0 52.1 6.0 41 37 A T G >< S+ 0 0 94 -4,-0.5 3,-2.0 1,-0.3 2,-0.7 0.848 74.9 70.9 -68.2 -35.9 38.6 50.5 3.0 42 38 A S G 3 S+ 0 0 61 -4,-0.3 -1,-0.3 1,-0.3 -4,-0.1 0.077 101.1 49.8 -71.2 29.6 35.2 50.1 1.4 43 39 A C G < 0 0 62 -2,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.093 360.0 360.0-154.0 22.9 35.3 53.8 1.0 44 40 A G < 0 0 112 -3,-2.0 -3,-0.2 0, 0.0 -2,-0.1 0.869 360.0 360.0 69.9 360.0 38.7 54.5 -0.6 45 ! 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 46 55 A L 0 0 154 0, 0.0 26,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.8 56.0 68.7 -3.0 47 56 A A - 0 0 91 1,-0.1 2,-0.4 2,-0.0 243,-0.0 0.483 360.0 -9.9 2.5 -84.8 54.2 65.3 -3.0 48 57 A R - 0 0 96 242,-0.1 2,-0.3 243,-0.0 -1,-0.1 -0.996 63.2-172.0-133.6 137.3 57.1 63.2 -1.6 49 58 A L - 0 0 116 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.671 53.8 -65.3-138.4 85.6 60.7 64.3 -1.1 50 59 A K - 0 0 193 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.896 53.5-167.6 38.4 104.4 63.2 61.6 -0.2 51 60 A L - 0 0 36 1,-0.1 -1,-0.1 18,-0.0 4,-0.0 -0.876 29.0-126.6-114.0 146.3 62.7 60.0 3.3 52 61 A P S S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.946 97.5 0.2 -55.6 -49.1 65.3 57.8 5.1 53 62 A Y S > S- 0 0 76 -3,-0.1 3,-1.9 1,-0.1 4,-0.2 -0.976 81.7-108.3-139.6 150.5 62.7 55.1 5.5 54 63 A P G > S+ 0 0 42 0, 0.0 3,-0.6 0, 0.0 4,-0.1 0.800 114.7 48.3 -45.3 -45.9 59.0 55.0 4.4 55 64 A E G > S+ 0 0 74 1,-0.2 3,-1.5 2,-0.1 120,-0.2 0.397 78.8 104.8 -84.6 5.8 57.4 55.4 7.8 56 65 A A G X S+ 0 0 0 -3,-1.9 3,-1.6 1,-0.3 7,-0.3 0.803 70.3 64.0 -55.5 -34.3 59.6 58.3 8.8 57 66 A V G < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.815 111.5 37.7 -61.0 -29.1 56.7 60.8 8.4 58 67 A F G < S+ 0 0 0 -3,-1.5 117,-3.6 -4,-0.1 2,-0.6 0.053 94.0 107.3-110.3 23.3 54.9 59.0 11.2 59 68 A D B <> -f 175 0B 24 -3,-1.6 4,-2.7 115,-0.2 5,-0.2 -0.908 61.0-149.8-106.2 118.2 57.9 58.4 13.3 60 69 A V H > S+ 0 0 20 115,-2.5 4,-1.8 -2,-0.6 -1,-0.1 0.814 96.8 52.9 -55.4 -34.5 58.2 60.5 16.5 61 70 A D H > S+ 0 0 102 114,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.961 111.5 43.0 -67.4 -51.9 62.0 60.4 16.3 62 71 A F H >> S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 3,-1.0 0.929 113.5 52.8 -58.8 -46.5 62.3 61.6 12.8 63 72 A F H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 -7,-0.3 -2,-0.2 0.878 102.9 59.5 -55.1 -42.0 59.6 64.2 13.4 64 73 A Q H 3< S+ 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.788 115.4 33.8 -59.0 -31.1 61.6 65.4 16.4 65 74 A S H << S+ 0 0 91 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.729 137.9 11.4 -98.5 -26.3 64.6 66.2 14.1 66 75 A D < + 0 0 64 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 -0.652 56.3 169.9-156.8 93.6 62.8 67.2 10.9 67 76 A P > + 0 0 9 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.548 56.9 97.5 -81.7 -7.2 59.0 67.9 10.9 68 77 A L H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.866 81.7 50.7 -52.7 -42.1 58.9 69.5 7.5 69 78 A P H > S+ 0 0 26 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.942 111.1 46.1 -65.9 -43.2 57.8 66.2 5.8 70 79 A F H >> S+ 0 0 2 -4,-0.3 4,-3.1 1,-0.2 3,-0.7 0.922 111.7 52.9 -62.9 -41.9 54.9 65.6 8.1 71 80 A Y H 3X S+ 0 0 2 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.908 106.0 55.4 -57.0 -40.8 53.8 69.2 7.9 72 81 A T H 3< S+ 0 0 50 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.759 118.7 31.4 -62.5 -29.1 53.8 68.8 4.1 73 82 A L H X< S+ 0 0 25 -4,-1.1 3,-1.7 -3,-0.7 4,-0.5 0.694 98.0 86.0-102.8 -23.6 51.4 65.9 4.2 74 83 A A H >X S+ 0 0 0 -4,-3.1 3,-1.9 1,-0.3 4,-1.1 0.819 79.6 64.1 -46.3 -44.4 49.4 66.9 7.3 75 84 A K T 3< S+ 0 0 106 -4,-0.8 -1,-0.3 1,-0.3 3,-0.2 0.850 103.3 49.2 -52.2 -36.4 47.0 69.0 5.3 76 85 A E T <4 S+ 0 0 129 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.549 103.8 63.5 -81.7 -7.8 45.8 65.9 3.5 77 86 A L T <4 + 0 0 24 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.828 69.1 107.6 -88.3 -35.1 45.3 64.0 6.7 78 87 A Y S < S- 0 0 36 -4,-1.1 2,-0.2 -3,-0.2 31,-0.1 -0.085 83.0 -95.6 -46.1 141.0 42.6 65.9 8.6 79 88 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.414 39.8-156.7 -64.1 127.0 39.2 64.0 8.7 80 89 A G - 0 0 26 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.0 -0.148 34.1 -94.3 -88.0-168.2 36.8 65.2 5.9 81 90 A N + 0 0 154 -2,-0.1 -1,-0.0 2,-0.0 30,-0.0 -0.501 66.6 154.9-109.9 63.2 33.1 64.8 6.2 82 91 A F - 0 0 145 -2,-0.5 -39,-0.0 27,-0.2 0, 0.0 -0.134 48.7 -90.3 -80.8 177.8 32.7 61.5 4.3 83 92 A R - 0 0 155 -40,-0.1 -1,-0.1 1,-0.0 32,-0.1 -0.798 38.7-123.5 -95.8 128.5 30.0 58.8 4.6 84 93 A P - 0 0 7 0, 0.0 -44,-0.1 0, 0.0 28,-0.1 -0.341 31.5-110.0 -66.0 150.7 30.5 56.0 7.1 85 94 A S > - 0 0 6 -46,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.100 31.1 -99.1 -72.0 175.2 30.4 52.5 5.8 86 95 A K H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.910 125.8 55.2 -63.4 -39.0 27.6 50.0 6.5 87 96 A F H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.932 103.9 52.3 -60.5 -46.6 29.8 48.5 9.2 88 97 A H H >> S+ 0 0 0 -49,-0.3 4,-1.1 1,-0.3 3,-0.6 0.906 110.0 50.0 -55.9 -40.0 30.2 51.8 10.9 89 98 A Y H 3X S+ 0 0 12 -4,-1.8 4,-3.0 1,-0.2 -1,-0.3 0.799 99.3 64.4 -70.3 -24.8 26.4 52.1 10.9 90 99 A L H 3X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.5 -1,-0.2 0.851 100.1 54.4 -63.3 -31.8 26.2 48.6 12.4 91 100 A L H S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 6,-0.4 0.850 107.9 53.7 -61.5 -37.0 24.0 48.2 18.1 95 104 A Q H ><5S+ 0 0 26 -4,-1.6 3,-2.2 3,-0.2 -1,-0.2 0.920 105.3 53.0 -63.6 -46.0 24.0 51.4 20.3 96 105 A D H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.883 108.6 50.4 -56.8 -39.2 20.3 52.0 19.6 97 106 A K T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.299 114.1-123.4 -83.0 10.3 19.7 48.4 20.8 98 107 A D T < 5S+ 0 0 105 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.876 83.1 112.4 49.4 44.3 21.7 49.2 23.9 99 108 A V < + 0 0 13 -5,-2.8 -68,-1.8 -6,-0.1 2,-0.6 0.177 41.7 97.5-130.4 18.1 24.0 46.3 23.1 100 109 A L E +a 31 0A 7 -6,-0.4 -68,-0.2 -70,-0.3 3,-0.1 -0.913 39.8 175.1-113.2 106.0 27.3 48.1 22.2 101 110 A K E - 0 0 35 -70,-2.0 2,-0.3 -2,-0.6 -69,-0.2 0.829 63.9 -25.6 -78.3 -35.4 29.7 48.3 25.2 102 111 A R E -a 32 0A 35 -71,-1.3 -69,-2.9 2,-0.0 2,-0.5 -0.937 43.0-141.3-176.2 151.7 32.6 49.8 23.3 103 112 A V E -ac 33 122A 0 18,-3.1 20,-2.6 -2,-0.3 2,-0.6 -0.984 15.3-166.5-124.4 118.6 34.4 50.4 20.1 104 113 A Y E -ac 34 123A 0 -71,-2.7 -69,-3.1 -2,-0.5 2,-0.4 -0.928 18.5-176.6-102.3 121.6 38.2 50.3 20.1 105 114 A T E -ac 35 124A 0 18,-2.8 20,-1.3 -2,-0.6 21,-0.7 -0.940 34.8-166.9-127.3 147.0 39.5 51.7 16.8 106 115 A Q + 0 0 3 -71,-1.6 2,-0.2 -2,-0.4 -70,-0.1 0.400 66.9 102.6-101.2 -4.6 43.0 52.2 15.3 107 116 A N - 0 0 0 -72,-0.3 19,-0.3 1,-0.1 3,-0.2 -0.492 55.3-162.0 -82.8 150.6 41.5 54.4 12.6 108 117 A I + 0 0 15 -2,-0.2 21,-0.2 1,-0.1 -1,-0.1 -0.065 68.7 96.2-118.6 30.1 41.9 58.2 12.7 109 118 A D S S- 0 0 27 -30,-0.1 -27,-0.2 19,-0.1 -1,-0.1 0.462 81.0-137.3 -97.9 -2.0 39.1 59.0 10.2 110 119 A T > + 0 0 21 -3,-0.2 4,-2.3 1,-0.1 5,-0.1 0.711 58.7 138.5 53.2 23.5 36.5 59.6 13.0 111 120 A L H > + 0 0 10 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.783 64.5 56.9 -69.9 -24.8 34.0 57.6 10.9 112 121 A E H 4>S+ 0 0 1 2,-0.2 5,-1.8 1,-0.2 4,-0.2 0.905 111.8 42.2 -71.4 -37.4 32.6 55.8 13.9 113 122 A R H >45S+ 0 0 75 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.879 109.8 59.1 -71.7 -37.7 31.8 59.2 15.5 114 123 A Q H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 101.0 56.8 -58.4 -31.4 30.5 60.3 12.1 115 124 A A T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.543 127.2 -96.1 -80.4 -7.4 28.0 57.4 12.2 116 125 A G T < 5 + 0 0 32 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.474 69.6 152.3 108.0 2.0 26.5 58.6 15.5 117 126 A V < - 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0 0 18 -2,-0.5 3,-1.6 -28,-0.1 4,-0.6 -0.844 31.1 -3.0-136.1 171.0 45.7 36.9 11.8 237 253 A G H >> S- 0 0 32 -28,-0.5 4,-2.4 -2,-0.3 3,-1.3 -0.115 124.0 -4.4 49.9-137.0 47.4 37.7 15.0 238 254 A D H 3> S+ 0 0 17 -22,-0.3 4,-1.8 1,-0.3 -1,-0.3 0.653 128.2 64.9 -63.1 -19.8 46.3 35.7 18.1 239 255 A F H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.818 113.0 35.7 -72.9 -28.3 43.6 33.9 16.2 240 256 A K H X< S+ 0 0 156 -3,-1.3 3,-0.6 -4,-0.6 -2,-0.2 0.927 124.1 40.1 -85.9 -52.9 46.3 32.3 14.1 241 257 A A H 3< S+ 0 0 72 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.871 132.5 18.1 -66.6 -42.3 49.0 31.9 16.7 242 258 A N T 3< S- 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.422 79.4-172.3-134.6 62.5 46.9 30.8 19.7 243 259 A K < - 0 0 86 -3,-0.6 -4,-0.1 -4,-0.2 -3,-0.1 -0.168 10.8-147.7 -53.8 142.6 43.5 29.6 18.4 244 260 A R > - 0 0 29 -16,-0.1 3,-2.6 -5,-0.1 -1,-0.1 -0.931 22.1-117.4-118.4 142.0 40.9 28.9 21.0 245 261 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.750 115.7 45.8 -45.5 -32.6 38.1 26.2 20.8 246 262 A T T 3 S+ 0 0 21 -20,-0.1 -239,-0.1 2,-0.1 -243,-0.0 0.443 82.7 122.7 -96.5 0.5 35.5 28.9 20.9 247 263 A D < - 0 0 3 -3,-2.6 2,-0.5 -20,-0.1 -18,-0.2 -0.335 47.4-154.9 -63.4 141.6 37.0 31.3 18.4 248 264 A L E -e 229 0A 1 -20,-2.0 -18,-2.8 2,-0.0 2,-0.5 -0.981 8.8-167.4-121.6 119.5 34.8 32.2 15.5 249 265 A I E -e 230 0A 1 -241,-1.1 2,-0.5 -2,-0.5 -18,-0.2 -0.918 6.2-172.9-112.6 131.3 36.5 33.3 12.3 250 266 A V E -e 231 0A 1 -20,-3.5 2,-2.3 -2,-0.5 -18,-1.4 -0.917 13.4-157.5-125.7 103.4 34.7 34.9 9.4 251 267 A H + 0 0 75 -2,-0.5 2,-0.3 -20,-0.2 -18,-0.2 -0.517 55.2 118.8 -79.0 77.6 36.7 35.5 6.2 252 268 A Q S S- 0 0 28 -2,-2.3 2,-0.1 -18,-0.1 -18,-0.1 -0.957 70.9 -97.1-141.9 157.4 34.3 38.2 5.0 253 269 A Y > - 0 0 137 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.497 38.3-118.9 -73.1 147.0 34.3 41.9 4.2 254 270 A S H > S+ 0 0 10 -216,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.828 110.9 49.5 -57.2 -37.1 33.1 44.1 7.0 255 271 A D H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 113.4 44.3 -69.0 -46.9 30.2 45.6 5.0 256 272 A E H > S+ 0 0 86 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 112.4 54.6 -61.0 -45.0 28.9 42.2 3.9 257 273 A F H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.896 108.1 49.0 -54.7 -44.3 29.4 40.9 7.4 258 274 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.933 110.7 49.8 -63.4 -46.3 27.3 43.8 8.8 259 275 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.927 114.1 45.4 -58.1 -46.3 24.5 43.1 6.2 260 276 A Q H X S+ 0 0 49 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.854 111.9 49.6 -68.6 -36.2 24.5 39.4 7.1 261 277 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.911 112.0 49.1 -69.6 -41.3 24.6 39.8 10.9 262 278 A V H X>S+ 0 0 1 -4,-2.3 5,-2.2 -5,-0.2 4,-1.7 0.909 110.3 51.3 -62.9 -42.8 21.7 42.3 10.8 263 279 A E H <5S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.907 111.1 48.2 -60.2 -44.0 19.7 40.0 8.6 264 280 A E H <5S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.749 113.0 47.1 -69.0 -27.4 20.2 37.1 11.0 265 281 A L H <5S- 0 0 17 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.723 112.2-121.3 -85.4 -24.1 19.3 39.2 14.0 266 282 A G T <5S+ 0 0 41 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.914 76.3 121.6 82.9 47.1 16.2 40.5 12.3 267 283 A W >< + 0 0 49 -5,-2.2 4,-2.5 2,-0.1 5,-0.2 0.101 24.5 123.6-124.6 19.1 17.0 44.2 12.4 268 284 A Q H > S+ 0 0 97 -6,-0.4 4,-3.0 1,-0.2 5,-0.2 0.853 75.5 49.6 -49.0 -43.0 17.0 44.9 8.6 269 285 A E H > S+ 0 0 147 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.957 111.7 44.5 -64.9 -53.1 14.4 47.6 9.0 270 286 A D H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.863 117.5 48.6 -59.7 -35.5 16.1 49.6 11.8 271 287 A F H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.931 109.9 48.7 -71.1 -47.1 19.3 49.2 9.9 272 288 A E H X S+ 0 0 129 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.833 110.0 54.5 -61.7 -32.2 17.9 50.3 6.5 273 289 A K H X S+ 0 0 137 -4,-2.2 4,-2.3 2,-0.2 5,-0.4 0.932 109.7 45.9 -66.7 -46.1 16.4 53.3 8.3 274 290 A I H X S+ 0 0 7 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.936 111.3 51.7 -61.6 -47.1 19.7 54.3 9.8 275 291 A L H < S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.738 117.0 43.0 -61.7 -23.7 21.4 53.8 6.4 276 292 A T H < S+ 0 0 107 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.2 0.953 120.8 30.5 -86.2 -69.8 18.8 56.1 4.9 277 293 A A H < 0 0 86 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.985 360.0 360.0 -53.0 -72.1 18.2 59.0 7.2 278 294 A Q < 0 0 83 -4,-0.5 -163,-0.1 -5,-0.4 -189,-0.0 -0.282 360.0 360.0 -62.3 360.0 21.7 59.3 8.6 279 ! 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 0.0 280 302 A K 0 0 123 0, 0.0 5,-0.0 0, 0.0 -244,-0.0 0.000 360.0 360.0 360.0 173.9 47.6 47.1 7.0 281 303 A E > - 0 0 7 1,-0.1 4,-2.3 -244,-0.1 3,-0.4 -0.239 360.0 -99.1 -72.4 161.0 46.6 50.1 9.2 282 304 A Q H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.825 119.7 49.3 -47.2 -45.6 45.8 53.6 8.0 283 305 A L H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 114.5 44.9 -64.6 -42.0 49.1 55.2 8.8 284 306 A L H > S+ 0 0 41 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.817 109.8 56.8 -70.8 -29.3 51.0 52.4 7.0 285 307 A E H X S+ 0 0 82 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.941 109.8 44.1 -65.0 -46.8 48.6 52.5 4.1 286 308 A I H X S+ 0 0 40 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.924 111.7 52.9 -62.0 -46.7 49.3 56.2 3.6 287 309 A V H X S+ 0 0 6 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.854 108.5 53.1 -55.3 -37.6 53.1 55.5 4.0 288 310 A H H X S+ 0 0 89 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.950 106.3 50.0 -63.7 -52.8 52.6 52.9 1.3 289 311 A D H >< S+ 0 0 89 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.839 104.6 60.5 -57.0 -35.5 51.0 55.3 -1.2 290 312 A L H 3< S+ 0 0 27 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.960 102.1 49.4 -57.1 -53.9 53.8 57.8 -0.6 291 313 A E H 3< 0 0 78 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.677 360.0 360.0 -58.8 -15.2 56.4 55.3 -1.9 292 314 A N << 0 0 142 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 -0.308 360.0 360.0 65.8 360.0 54.0 55.0 -4.8