==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-FEB-07 2OZZ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YHFZ; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR Y.KIM,M.BOROVILOS,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 442 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.3 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 . 1 0.2 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 . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 2 1 0 0 3 5 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 2 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 . 1 0 0 2 6 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 2 0 0 0 0 1 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 S > 0 0 118 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -73.1 -23.9 33.3 87.5 2 -1 A N H > + 0 0 110 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.933 360.0 48.4 -46.8 -50.0 -20.9 35.6 87.9 3 0 A A H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 112.7 44.7 -57.0 -49.5 -19.2 32.2 88.8 4 1 A X H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.843 110.3 55.2 -70.5 -34.9 -20.6 30.4 85.8 5 2 A D H X S+ 0 0 111 -4,-3.5 4,-0.8 2,-0.2 -1,-0.2 0.875 111.3 46.1 -58.6 -39.7 -19.7 33.3 83.6 6 3 A N H >X S+ 0 0 10 -4,-2.0 4,-1.3 36,-0.2 3,-0.8 0.910 109.5 52.7 -67.0 -43.9 -16.1 32.9 85.0 7 4 A K H >X S+ 0 0 116 -4,-2.6 4,-1.3 1,-0.3 3,-0.5 0.930 104.7 57.2 -60.4 -47.1 -16.2 29.1 84.5 8 5 A A H 3< S+ 0 0 49 -4,-2.5 4,-0.3 1,-0.2 -1,-0.3 0.751 103.4 53.8 -47.8 -35.6 -17.2 29.6 80.8 9 6 A L H X< S+ 0 0 65 -3,-0.8 3,-1.4 -4,-0.8 -1,-0.2 0.877 104.1 54.7 -69.4 -38.4 -14.0 31.7 80.3 10 7 A L H X< S+ 0 0 25 -4,-1.3 3,-1.4 -3,-0.5 5,-0.4 0.808 96.2 67.8 -65.5 -31.6 -11.7 29.0 81.6 11 8 A S T 3< S+ 0 0 89 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.670 102.9 45.2 -58.3 -22.9 -13.3 26.6 79.1 12 9 A H T < S+ 0 0 157 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.2 0.238 103.9 72.0-113.3 9.9 -11.6 28.6 76.3 13 10 A V S < S- 0 0 41 -3,-1.4 2,-1.2 2,-0.2 0, 0.0 -0.972 81.5-124.4-125.3 145.2 -8.1 29.0 77.8 14 11 A D S S+ 0 0 178 -2,-0.4 2,-0.5 2,-0.0 -3,-0.1 -0.134 77.3 115.7 -73.8 38.0 -5.4 26.4 78.2 15 12 A I + 0 0 19 -2,-1.2 -2,-0.2 -5,-0.4 3,-0.1 -0.959 35.1 171.3-115.3 120.2 -5.4 27.3 82.0 16 13 A N S S+ 0 0 93 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.871 72.4 9.1 -82.5 -85.4 -6.4 24.6 84.5 17 14 A N S S- 0 0 15 27,-0.1 2,-0.5 29,-0.0 -1,-0.3 -0.529 70.2-138.3 -84.2 157.8 -5.6 26.1 87.9 18 15 A V E -a 46 0A 0 27,-2.1 29,-2.4 -2,-0.2 2,-0.6 -0.992 19.4-163.3-116.0 123.3 -4.5 29.7 88.4 19 16 A V E -a 47 0A 4 -2,-0.5 48,-1.7 27,-0.2 49,-1.4 -0.938 3.2-166.7-111.9 122.2 -1.7 29.9 90.9 20 17 A C E -ab 48 68A 0 27,-3.0 29,-2.5 -2,-0.6 2,-0.4 -0.907 10.1-146.4-110.9 123.5 -1.0 33.3 92.4 21 18 A A E +ab 49 69A 0 47,-2.7 49,-3.4 -2,-0.5 29,-0.2 -0.721 33.5 149.3 -86.5 135.5 2.2 34.1 94.4 22 19 A X E -a 50 0A 0 27,-2.1 29,-2.4 -2,-0.4 49,-0.1 -0.958 46.9 -75.5-154.4 165.7 1.9 36.5 97.3 23 20 A P - 0 0 10 0, 0.0 29,-0.1 0, 0.0 -1,-0.0 -0.110 63.7 -78.5 -59.2 165.0 3.4 37.3 100.7 24 21 A L - 0 0 22 26,-0.1 2,-2.6 1,-0.1 3,-0.1 -0.506 51.7-115.0 -62.6 136.3 2.7 35.2 103.7 25 22 A P + 0 0 6 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.304 66.9 139.2 -84.1 59.8 -0.7 36.5 104.8 26 23 A Y + 0 0 126 -2,-2.6 2,-0.3 4,-0.1 -2,-0.1 0.250 53.9 57.5 -95.6 8.1 0.5 38.0 108.2 27 24 A T S > S- 0 0 65 -3,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.975 81.0-123.0-126.7 152.8 -1.5 41.3 108.2 28 25 A R H > S+ 0 0 75 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.888 116.4 56.5 -57.4 -37.0 -5.3 41.8 108.1 29 26 A L H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 106.9 47.2 -58.7 -45.4 -4.7 44.0 105.1 30 27 A Y H > S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.895 112.3 52.1 -61.6 -41.4 -2.8 41.1 103.3 31 28 A E H X S+ 0 0 43 -4,-2.4 4,-3.2 2,-0.2 199,-0.3 0.902 109.8 47.1 -61.2 -44.1 -5.8 38.8 104.2 32 29 A G H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.853 114.3 47.0 -67.0 -38.8 -8.4 41.2 102.8 33 30 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.937 115.1 46.6 -63.7 -49.6 -6.4 41.6 99.6 34 31 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.922 117.4 43.0 -59.0 -46.2 -6.0 37.9 99.4 35 32 A S H X S+ 0 0 3 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.912 114.4 49.7 -67.4 -44.1 -9.7 37.3 100.2 36 33 A G H X S+ 0 0 0 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.884 112.5 47.1 -64.2 -42.1 -10.9 40.0 97.8 37 34 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 2,-0.2 4,-0.4 0.943 111.4 49.2 -67.6 -47.3 -8.8 38.9 94.9 38 35 A K H >< S+ 0 0 64 -4,-2.1 3,-2.0 1,-0.3 -2,-0.2 0.887 104.8 60.6 -59.2 -38.5 -9.8 35.2 95.2 39 36 A A H >< S+ 0 0 31 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.796 96.2 60.9 -56.9 -28.8 -13.4 36.2 95.4 40 37 A Q T << S+ 0 0 22 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.671 99.2 59.3 -72.5 -14.3 -13.1 37.7 91.9 41 38 A F T X S+ 0 0 2 -3,-2.0 3,-2.3 -4,-0.4 -1,-0.2 0.131 70.8 153.8-104.4 16.7 -12.2 34.2 90.7 42 39 A D T < S+ 0 0 95 -3,-1.2 -36,-0.2 1,-0.3 -35,-0.1 -0.261 70.7 24.9 -44.7 124.1 -15.4 32.4 91.7 43 40 A G T 3 S+ 0 0 32 1,-0.2 -1,-0.3 -37,-0.1 -33,-0.1 0.418 107.1 92.5 96.0 3.0 -15.9 29.5 89.4 44 41 A I S < S- 0 0 11 -3,-2.3 2,-0.6 -35,-0.0 -1,-0.2 -0.994 85.7-112.2-130.8 129.4 -12.2 29.1 88.6 45 42 A P + 0 0 48 0, 0.0 -27,-2.1 0, 0.0 2,-0.4 -0.507 50.9 172.5 -62.4 111.3 -9.7 26.9 90.5 46 43 A F E +a 18 0A 9 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.986 8.2 175.6-131.7 130.9 -7.6 29.6 92.1 47 44 A Y E -a 19 0A 82 -29,-2.4 -27,-3.0 -2,-0.4 2,-0.4 -0.987 23.0-132.0-139.6 145.9 -4.9 29.1 94.7 48 45 A Y E -a 20 0A 10 183,-0.4 2,-0.5 -2,-0.3 222,-0.3 -0.786 6.7-161.5 -95.9 137.8 -2.3 31.2 96.6 49 46 A A E -a 21 0A 0 -29,-2.5 -27,-2.1 -2,-0.4 2,-0.7 -0.991 18.9-148.8-105.3 115.3 1.3 30.2 96.9 50 47 A H E +aC 22 268A 3 218,-3.2 218,-3.1 -2,-0.5 2,-0.4 -0.818 26.0 169.8 -95.3 118.3 2.6 32.2 99.9 51 48 A X - 0 0 1 -29,-2.4 2,-0.2 -2,-0.7 6,-0.1 -0.984 31.3-127.5-137.7 119.6 6.3 33.0 99.3 52 49 A R S S+ 0 0 141 -2,-0.4 4,-0.2 214,-0.4 214,-0.1 -0.479 76.1 41.8 -71.1 134.3 8.5 35.4 101.2 53 50 A G > - 0 0 18 -2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.621 65.6-133.7 99.8 112.9 10.4 37.9 99.1 54 51 A A H > S+ 0 0 10 66,-0.4 4,-2.2 1,-0.2 5,-0.2 0.848 103.5 60.0 -55.3 -41.3 9.1 39.9 96.2 55 52 A D H > S+ 0 0 78 65,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.934 107.1 43.7 -56.9 -52.2 12.3 39.1 94.1 56 53 A I H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.858 110.2 54.8 -66.7 -36.5 11.8 35.3 94.2 57 54 A R H X S+ 0 0 5 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.924 112.7 44.9 -58.6 -44.7 8.1 35.5 93.4 58 55 A V H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.932 112.8 49.9 -68.8 -42.0 8.9 37.6 90.3 59 56 A E H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.939 112.6 48.4 -57.6 -47.5 11.8 35.3 89.3 60 57 A C H <>S+ 0 0 6 -4,-3.2 5,-2.8 1,-0.2 6,-0.5 0.904 111.1 49.7 -59.6 -40.8 9.4 32.3 89.7 61 58 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.4 4,-0.2 -1,-0.2 0.922 110.7 50.3 -65.3 -45.9 6.8 34.0 87.7 62 59 A L H 3<5S+ 0 0 54 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.881 108.1 53.6 -61.2 -36.6 9.3 34.8 85.0 63 60 A N T 3<5S- 0 0 98 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.452 122.0-106.7 -75.5 -5.6 10.4 31.1 85.0 64 61 A G T < 5S+ 0 0 44 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.559 86.3 121.0 94.7 10.0 6.8 30.0 84.4 65 62 A V S - D 0 191A 0 -2,-0.3 4,-2.3 119,-0.2 119,-0.2 -0.324 36.6-118.8 -70.9 155.3 4.0 46.5 95.5 73 70 A R H > S+ 0 0 52 117,-2.1 4,-2.5 114,-1.1 115,-0.2 0.870 114.6 56.7 -59.2 -39.7 3.6 49.1 92.8 74 71 A L H > S+ 0 0 5 113,-1.2 4,-1.5 116,-0.2 -1,-0.2 0.977 111.3 40.9 -62.9 -51.1 7.0 50.5 93.7 75 72 A A H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.904 114.1 54.6 -55.6 -43.7 8.8 47.1 93.3 76 73 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.864 102.0 56.0 -65.2 -39.5 6.8 46.4 90.1 77 74 A E H < S+ 0 0 76 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.894 113.1 42.6 -61.8 -39.4 7.8 49.6 88.5 78 75 A S H >X S+ 0 0 48 -4,-1.5 3,-1.7 2,-0.2 4,-1.1 0.908 108.4 56.9 -67.4 -48.5 11.5 48.6 89.0 79 76 A Y H >X S+ 0 0 23 -4,-3.0 4,-2.2 1,-0.3 3,-1.1 0.911 101.7 59.3 -49.9 -45.8 11.0 45.0 88.0 80 77 A L H 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.2 5,-0.2 0.625 101.6 52.8 -60.7 -20.0 9.6 46.3 84.6 81 78 A S H <4 S+ 0 0 82 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.739 119.9 36.0 -75.6 -27.0 12.9 48.2 83.8 82 79 A Q H << S+ 0 0 153 -4,-1.1 2,-0.3 -3,-1.1 -2,-0.2 0.724 123.4 28.0-102.8 -24.7 14.8 44.9 84.4 83 80 A N S < S- 0 0 59 -4,-2.2 2,-1.0 -5,-0.2 -1,-0.1 -0.924 82.2-101.8-139.6 155.0 12.4 42.2 83.1 84 81 A N + 0 0 133 -2,-0.3 113,-1.1 -3,-0.1 2,-0.3 -0.713 66.6 141.7 -79.1 103.6 9.7 41.8 80.4 85 82 A L E -E 196 0A 13 -2,-1.0 2,-0.4 111,-0.2 111,-0.2 -0.860 44.6-131.4-142.5 163.8 6.6 41.9 82.6 86 83 A C E -E 195 0A 20 109,-2.5 109,-1.4 -2,-0.3 2,-1.0 -0.984 11.2-142.0-121.8 129.5 3.0 43.3 82.7 87 84 A I E +E 194 0A 24 -2,-0.4 107,-0.2 107,-0.2 3,-0.1 -0.820 31.6 174.8 -82.2 104.2 1.4 45.2 85.4 88 85 A A E + 0 0 5 105,-2.5 2,-0.3 -2,-1.0 106,-0.2 0.729 59.4 15.3 -91.3 -20.4 -2.0 43.5 85.0 89 86 A L E -E 193 0A 28 104,-1.2 104,-2.1 -3,-0.1 2,-0.4 -0.976 60.3-167.1-152.3 134.9 -4.0 45.0 87.9 90 87 A E E -E 192 0A 71 -2,-0.3 102,-0.2 102,-0.2 122,-0.0 -0.999 1.3-170.1-128.6 132.7 -3.2 48.0 90.1 91 88 A L - 0 0 5 100,-2.3 101,-0.1 -2,-0.4 -1,-0.1 0.446 36.6-118.7-106.8 -4.0 -5.3 48.5 93.3 92 89 A G > - 0 0 12 99,-0.3 3,-0.7 95,-0.1 99,-0.7 -0.101 50.5 -34.0 87.1 167.5 -4.3 52.0 94.4 93 90 A P T 3 S+ 0 0 68 0, 0.0 97,-0.2 0, 0.0 94,-0.1 -0.182 119.0 25.2 -61.0 150.0 -2.6 53.1 97.6 94 91 A H T 3 S+ 0 0 96 92,-0.4 96,-0.2 3,-0.2 93,-0.1 0.708 88.9 106.2 71.0 24.2 -3.1 51.6 101.0 95 92 A T S < S+ 0 0 8 94,-1.3 95,-0.2 -3,-0.7 -62,-0.1 0.503 85.2 29.6-105.7 -7.2 -4.1 48.1 99.5 96 93 A Y S S- 0 0 5 93,-2.6 2,-0.3 1,-0.5 94,-0.2 0.779 123.3 -13.4-120.2 -59.4 -0.8 46.3 100.3 97 94 A V S S- 0 0 27 92,-0.4 -1,-0.5 -68,-0.1 -3,-0.2 -0.887 70.1 -94.0-142.7 167.9 1.0 47.7 103.5 98 95 A G - 0 0 43 -2,-0.3 -4,-0.0 1,-0.2 -3,-0.0 -0.241 58.1 -71.7 -75.1 171.2 0.9 50.7 105.8 99 96 A E - 0 0 83 63,-0.1 64,-2.0 1,-0.1 2,-0.3 -0.234 46.6-132.6 -61.2 155.2 3.0 53.8 105.4 100 97 A H E -J 162 0B 20 62,-0.2 79,-0.7 85,-0.1 2,-0.3 -0.747 20.6-168.8-107.7 159.2 6.7 53.8 106.2 101 98 A Q E -JK 161 178B 29 60,-3.1 60,-2.4 -2,-0.3 2,-0.7 -0.905 30.1-102.9-139.8 167.0 8.7 56.2 108.2 102 99 A L E -JK 160 177B 3 75,-3.5 75,-3.2 -2,-0.3 2,-0.5 -0.868 36.9-164.0 -92.1 112.5 12.3 57.2 109.0 103 100 A I E +JK 159 176B 2 56,-2.7 56,-1.5 -2,-0.7 2,-0.3 -0.877 25.1 139.3-101.4 125.1 13.2 55.8 112.5 104 101 A C E -JK 158 175B 0 71,-2.2 71,-2.7 -2,-0.5 54,-0.2 -0.867 57.4 -64.9-147.0 176.9 16.3 57.2 114.2 105 102 A R E > S- K 0 174B 42 52,-0.6 3,-2.4 -2,-0.3 69,-0.3 -0.457 79.4 -68.8 -68.3 149.7 17.5 58.3 117.6 106 103 A K T 3 S- 0 0 155 67,-2.8 -1,-0.2 1,-0.3 68,-0.1 -0.110 115.2 -9.2 -48.8 117.3 15.7 61.4 119.0 107 104 A G T 3 S+ 0 0 58 -3,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.607 105.1 108.5 69.7 15.3 16.5 64.6 117.0 108 105 A E X + 0 0 72 -3,-2.4 3,-2.0 1,-0.2 -3,-0.1 0.258 34.5 109.1-109.5 16.1 19.3 62.9 115.1 109 106 A S G > S+ 0 0 61 1,-0.3 3,-0.5 -4,-0.2 -1,-0.2 0.732 79.0 54.7 -62.4 -26.2 17.6 62.7 111.7 110 107 A G G 3 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.492 104.7 56.6 -82.4 -4.0 20.0 65.4 110.4 111 108 A N G < S+ 0 0 114 -3,-2.0 2,-0.4 46,-0.1 -1,-0.2 -0.048 71.3 145.2-120.5 32.6 23.0 63.3 111.4 112 109 A V < + 0 0 20 -3,-0.5 3,-0.1 1,-0.2 -3,-0.0 -0.587 4.2 146.3 -88.7 128.8 22.5 59.9 109.6 113 110 A K + 0 0 92 -2,-0.4 25,-3.0 1,-0.4 2,-0.4 0.567 65.1 45.6-131.1 -31.1 25.6 58.1 108.4 114 111 A R E -l 138 0B 52 23,-0.2 43,-2.1 25,-0.0 44,-1.1 -0.992 64.4-167.2-123.5 134.5 24.7 54.4 108.7 115 112 A V E -lm 139 158B 2 23,-3.3 25,-2.9 -2,-0.4 44,-0.2 -0.970 18.0-131.9-123.1 126.1 21.3 52.8 107.7 116 113 A G E +lm 140 159B 0 42,-3.1 44,-0.5 -2,-0.4 2,-0.3 -0.513 30.6 178.1 -73.6 145.7 19.9 49.4 108.5 117 114 A L E -l 141 0B 22 23,-1.9 25,-1.5 -2,-0.2 2,-0.6 -0.940 25.4-138.2-157.4 118.4 18.6 47.5 105.5 118 115 A D > - 0 0 16 -2,-0.3 3,-1.7 23,-0.2 7,-0.2 -0.738 9.8-149.7 -84.7 121.3 17.1 44.0 105.1 119 116 A S T 3 S+ 0 0 67 -2,-0.6 -1,-0.1 1,-0.3 24,-0.1 0.680 96.4 58.9 -59.2 -25.1 18.3 42.2 102.0 120 117 A R T 3 S+ 0 0 130 1,-0.1 2,-0.9 -66,-0.0 -66,-0.4 0.635 87.6 86.9 -80.9 -16.4 15.0 40.3 101.8 121 118 A S <> - 0 0 32 -3,-1.7 4,-1.7 1,-0.2 5,-0.1 -0.752 50.8-177.6 -96.1 100.2 12.9 43.5 101.5 122 119 A A H > S+ 0 0 10 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.908 86.6 46.8 -58.2 -43.3 12.7 44.7 97.9 123 120 A D H > S+ 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 106.7 55.4 -70.3 -44.1 10.7 47.8 98.9 124 121 A Q H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 109.1 50.3 -57.3 -36.5 13.0 48.8 101.8 125 122 A K H X S+ 0 0 71 -4,-1.7 4,-2.6 -7,-0.2 -2,-0.2 0.930 112.9 44.2 -65.3 -50.8 16.0 48.8 99.4 126 123 A I H X S+ 0 0 30 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.921 116.4 46.6 -58.0 -48.0 14.2 51.0 96.8 127 124 A X H X S+ 0 0 2 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.881 111.3 51.4 -66.3 -40.6 12.9 53.3 99.4 128 125 A T H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.936 113.0 45.9 -60.8 -47.5 16.4 53.6 101.2 129 126 A D H X S+ 0 0 86 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.901 115.3 47.1 -59.9 -45.5 18.0 54.4 97.8 130 127 A V H >< S+ 0 0 32 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.950 116.7 42.5 -61.8 -50.1 15.2 57.0 96.9 131 128 A F H 3< S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.931 115.6 46.4 -67.4 -45.7 15.3 58.7 100.4 132 129 A F H >< S+ 0 0 19 -4,-2.4 3,-2.0 -5,-0.2 -1,-0.2 0.431 84.9 171.6 -83.9 3.3 19.1 58.8 100.9 133 130 A G T << - 0 0 52 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.1 0.206 64.5 -12.8 45.5-139.7 19.8 60.1 97.3 134 131 A D T 3 S+ 0 0 176 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 -0.184 103.7 128.1 -88.8 38.3 23.3 61.2 96.4 135 132 A S S < S- 0 0 74 -3,-2.0 2,-2.0 -2,-0.1 -3,-0.0 -0.798 70.5-116.4 -99.3 139.1 24.3 61.2 100.1 136 133 A D + 0 0 137 -2,-0.4 2,-0.5 2,-0.0 -2,-0.1 -0.522 59.6 149.4 -64.8 77.7 27.4 59.4 101.6 137 134 A V - 0 0 15 -2,-2.0 2,-0.3 -5,-0.1 -23,-0.2 -0.977 42.5-133.2-121.4 125.9 25.4 56.9 103.8 138 135 A E E -l 114 0B 97 -25,-3.0 -23,-3.3 -2,-0.5 2,-0.5 -0.585 14.5-143.8 -76.1 131.5 26.6 53.4 104.7 139 136 A R E -l 115 0B 100 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.860 14.0-164.8 -95.0 126.7 24.0 50.5 104.2 140 137 A V E -l 116 0B 26 -25,-2.9 -23,-1.9 -2,-0.5 2,-0.9 -0.953 24.6-120.5-116.4 126.9 24.3 47.7 106.8 141 138 A D E +l 117 0B 101 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.493 58.5 137.9 -72.0 102.6 22.6 44.4 106.3 142 139 A L - 0 0 11 -25,-1.5 2,-0.2 -2,-0.9 -2,-0.1 -0.997 54.7-120.5-145.0 140.3 20.2 44.1 109.2 143 140 A S > - 0 0 18 -2,-0.3 4,-3.4 -25,-0.1 5,-0.2 -0.593 42.5-107.2 -66.9 152.0 16.7 43.0 109.9 144 141 A Y H > S+ 0 0 53 1,-0.3 4,-4.3 2,-0.2 5,-0.4 0.884 124.8 58.8 -43.1 -50.1 14.5 45.8 111.4 145 142 A H H > S+ 0 0 117 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.967 112.4 37.5 -38.6 -64.5 14.8 43.9 114.6 146 143 A E H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.843 117.9 51.4 -65.0 -36.9 18.6 44.2 114.4 147 144 A S H X S+ 0 0 0 -4,-3.4 4,-3.8 2,-0.2 5,-0.3 0.977 112.1 45.0 -62.8 -57.2 18.4 47.7 113.0 148 145 A L H X S+ 0 0 31 -4,-4.3 4,-3.3 1,-0.2 5,-0.2 0.958 116.7 47.0 -48.1 -55.1 16.1 48.9 115.8 149 146 A Q H X S+ 0 0 114 -4,-3.0 4,-2.8 -5,-0.4 -1,-0.2 0.863 115.7 44.9 -57.0 -39.0 18.3 47.1 118.3 150 147 A R H X>S+ 0 0 75 -4,-2.5 4,-3.0 2,-0.2 5,-1.3 0.836 110.1 53.7 -78.6 -33.7 21.5 48.6 116.7 151 148 A I H <5S+ 0 0 0 -4,-3.8 -2,-0.2 2,-0.2 -1,-0.2 0.935 111.4 46.6 -60.0 -48.4 19.9 52.1 116.5 152 149 A V H <5S+ 0 0 72 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.972 111.3 53.5 -56.0 -49.4 19.2 51.8 120.2 153 150 A K H <5S- 0 0 152 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.901 113.2-121.1 -51.1 -48.0 22.8 50.5 120.6 154 151 A G T <5S+ 0 0 40 -4,-3.0 -3,-0.2 2,-0.3 -1,-0.1 0.311 87.6 97.3 121.7 -4.1 24.3 53.6 118.8 155 152 A D S 0 0 57 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 111.5 4.1 54.1 117.1 166 163 A E H > + 0 0 181 1,-0.2 4,-1.0 2,-0.2 10,-0.1 0.629 360.0 41.6 -30.4 -35.7 4.5 57.5 118.8 167 164 A N H > S+ 0 0 93 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.931 110.2 47.6 -91.5 -52.3 4.9 55.9 122.3 168 165 A E H > S+ 0 0 104 -3,-0.5 4,-1.4 1,-0.2 6,-0.2 0.895 113.4 52.6 -54.6 -44.3 7.1 52.8 122.0 169 166 A L H ><>S+ 0 0 13 -4,-1.7 5,-3.2 1,-0.2 3,-0.5 0.930 106.7 50.7 -59.5 -51.0 9.6 54.9 120.0 170 167 A T H ><5S+ 0 0 99 -4,-1.0 3,-1.0 -5,-0.3 -1,-0.2 0.856 106.8 56.1 -54.3 -40.3 9.8 57.7 122.7 171 168 A X H 3<5S+ 0 0 128 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.3 44.3 -60.3 -38.7 10.4 55.0 125.4 172 169 A L T <<5S- 0 0 86 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.411 120.0-109.8 -86.4 0.9 13.4 53.8 123.4 173 170 A G T < 5S+ 0 0 34 -3,-1.0 -67,-2.8 -4,-0.4 -3,-0.2 0.747 78.0 129.4 75.9 24.4 14.6 57.4 122.7 174 171 A L E < -K 105 0B 6 -5,-3.2 2,-0.3 -69,-0.3 -1,-0.3 -0.560 43.8-153.4-103.2 168.4 13.7 57.0 119.1 175 172 A E E -K 104 0B 50 -71,-2.7 -71,-2.2 -2,-0.2 2,-0.5 -0.989 7.1-143.3-139.4 149.9 11.7 59.2 116.7 176 173 A A E -K 103 0B 31 -2,-0.3 -73,-0.2 -73,-0.2 -10,-0.0 -0.964 12.6-164.0-115.2 121.0 9.7 58.4 113.5 177 174 A T E -K 102 0B 50 -75,-3.2 -75,-3.5 -2,-0.5 3,-0.1 -0.910 21.4-125.2-104.3 122.3 9.7 60.8 110.5 178 175 A P E -K 101 0B 87 0, 0.0 2,-0.3 0, 0.0 -77,-0.2 -0.299 45.6 -91.3 -57.5 150.9 7.0 60.5 107.8 179 176 A L - 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