==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-03 1Q22 . COMPND 2 MOLECULE: SULFOTRANSFERASE FAMILY, CYTOSOLIC, 2B, MEMBER 1 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.A.LEE,H.FUDA,Y.C.LEE,M.NEGISHI,C.A.STROTT,L.C.PEDERSEN . 291 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.3 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 1 1 2 1 1 2 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 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 0 ANTIPARALLEL 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 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 18 A S > 0 0 112 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.0 4.7 2.2 35.1 2 19 A D H > + 0 0 124 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.924 360.0 40.5 -77.0 -48.4 4.1 5.8 36.3 3 20 A I H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.799 114.4 56.9 -68.0 -29.5 6.5 7.2 33.7 4 21 A S H > S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.895 106.0 47.0 -69.6 -43.1 5.0 4.7 31.2 5 22 A E H X S+ 0 0 47 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.930 114.2 49.3 -64.5 -44.8 1.4 5.9 31.6 6 23 A I H >< S+ 0 0 68 -4,-1.9 3,-2.2 1,-0.2 4,-0.4 0.964 106.1 55.1 -57.4 -57.5 2.6 9.5 31.2 7 24 A S H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.829 104.7 53.2 -46.2 -43.5 4.7 8.9 28.1 8 25 A Q H 3< S+ 0 0 140 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.640 104.2 57.6 -72.1 -12.7 1.7 7.3 26.1 9 26 A K T << S+ 0 0 167 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.404 74.1 129.6 -96.4 1.0 -0.4 10.4 26.9 10 27 A L < - 0 0 26 -3,-1.3 15,-0.1 -4,-0.4 137,-0.1 -0.416 44.1-161.0 -63.9 120.8 2.0 12.9 25.2 11 28 A P - 0 0 67 0, 0.0 -1,-0.2 0, 0.0 135,-0.1 0.748 30.9-127.2 -71.2 -28.6 0.1 15.1 22.8 12 29 A G + 0 0 12 12,-0.4 2,-0.2 1,-0.3 135,-0.1 0.936 69.7 115.1 75.1 47.9 3.2 16.2 20.9 13 30 A E - 0 0 110 11,-0.2 11,-2.9 133,-0.2 2,-0.3 -0.802 57.9-115.5-138.4-179.0 2.3 19.9 21.4 14 31 A Y E -A 23 0A 80 9,-0.3 2,-0.3 -2,-0.2 133,-0.0 -0.822 14.6-171.8-123.7 160.9 3.4 23.1 23.1 15 32 A F E -A 22 0A 52 7,-1.8 7,-2.9 -2,-0.3 2,-0.4 -0.910 28.1-114.7-140.6 161.4 2.2 25.5 25.7 16 33 A R E -A 21 0A 139 -2,-0.3 2,-0.5 5,-0.2 13,-0.0 -0.870 21.0-174.5-114.5 141.3 3.7 28.9 26.6 17 34 A Y E > S-A 20 0A 14 3,-2.3 3,-1.8 -2,-0.4 -2,-0.0 -0.957 82.7 -25.1-128.7 111.2 5.4 30.2 29.7 18 35 A K T 3 S- 0 0 132 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.913 129.5 -46.6 52.1 47.2 6.2 33.9 29.7 19 36 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 149,-0.0 -3,-0.0 0.357 114.8 116.0 81.1 -5.6 6.4 33.9 25.9 20 37 A V E < -A 17 0A 10 -3,-1.8 -3,-2.3 148,-0.1 2,-0.3 -0.810 64.3-122.9-104.0 138.0 8.5 30.7 25.6 21 38 A P E -A 16 0A 5 0, 0.0 146,-3.6 0, 0.0 147,-0.2 -0.587 30.5-179.5 -77.3 129.0 7.3 27.4 24.0 22 39 A F E -A 15 0A 0 -7,-2.9 -7,-1.8 -2,-0.3 2,-0.1 -0.984 34.0-104.8-128.1 140.2 7.5 24.3 26.2 23 40 A P E > -A 14 0A 0 0, 0.0 4,-0.5 0, 0.0 3,-0.4 -0.421 39.9-118.1 -64.4 132.4 6.5 20.7 25.3 24 41 A V B 4 S+b 27 0B 38 -11,-2.9 -12,-0.4 122,-0.3 2,-0.2 -0.441 90.9 23.5 -69.7 142.0 3.2 19.6 26.8 25 42 A G T 4 S+ 0 0 28 2,-0.8 -1,-0.2 -2,-0.1 65,-0.1 -0.235 116.5 56.9 100.4 -47.0 3.3 16.7 29.3 26 43 A L T 4 S+ 0 0 41 -3,-0.4 64,-1.5 -2,-0.2 2,-0.3 0.420 113.1 38.8 -98.9 1.8 6.9 16.8 30.4 27 44 A Y B < -bC 24 89B 21 -4,-0.5 -2,-0.8 62,-0.2 2,-0.3 -0.976 64.6-174.2-146.3 153.7 6.6 20.4 31.7 28 45 A S > - 0 0 29 60,-0.5 4,-2.5 -2,-0.3 5,-0.4 -0.972 43.8-104.5-147.4 159.8 4.0 22.5 33.4 29 46 A L H > S+ 0 0 96 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.917 126.0 44.1 -48.1 -43.2 3.4 26.1 34.5 30 47 A E H > S+ 0 0 124 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 108.3 53.0 -72.2 -43.2 4.2 24.8 38.0 31 48 A S H > S+ 0 0 9 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.909 118.3 39.3 -61.4 -39.2 7.2 22.7 37.2 32 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 3,-0.3 0.947 112.7 54.1 -73.5 -51.5 8.8 25.6 35.5 33 50 A S H X S+ 0 0 42 -4,-2.6 4,-2.3 -5,-0.4 5,-0.2 0.865 107.1 54.5 -49.6 -41.2 7.6 28.3 38.0 34 51 A L H X S+ 0 0 70 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 109.6 44.0 -61.7 -46.8 9.2 26.2 40.7 35 52 A A H < S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.863 113.5 52.8 -68.0 -35.6 12.6 26.1 39.1 36 53 A E H < S+ 0 0 1 -4,-2.5 78,-2.0 77,-0.2 79,-0.4 0.914 123.3 25.7 -65.5 -43.7 12.5 29.8 38.3 37 54 A N H < S+ 0 0 74 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.545 85.4 123.4-101.9 -10.2 11.6 30.8 41.8 38 55 A T < - 0 0 24 -4,-2.3 77,-0.5 -5,-0.2 -3,-0.0 -0.157 48.4-152.7 -52.1 149.2 13.0 28.2 44.1 39 56 A Q + 0 0 153 1,-0.1 2,-2.0 75,-0.1 -1,-0.1 0.555 65.2 107.6 -99.4 -11.4 15.4 29.5 46.7 40 57 A D + 0 0 59 54,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.449 38.7 137.3 -72.7 79.7 17.3 26.2 47.0 41 58 A V - 0 0 25 -2,-2.0 2,-0.3 74,-0.1 79,-0.1 -0.991 35.8-156.7-126.0 123.0 20.6 27.1 45.2 42 59 A R > - 0 0 75 -2,-0.5 3,-1.5 1,-0.1 77,-0.1 -0.702 26.3-121.6-108.0 155.7 23.8 26.0 46.8 43 60 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.3 76,-0.0 0.776 116.0 39.0 -58.4 -30.2 27.5 27.1 46.7 44 61 A D T 3 S+ 0 0 91 77,-0.1 -1,-0.3 2,-0.1 77,-0.1 0.294 87.7 124.2-105.3 8.9 28.6 23.7 45.5 45 62 A D < - 0 0 1 -3,-1.5 77,-2.5 55,-0.1 2,-0.4 -0.345 48.6-150.2 -65.0 149.6 25.7 23.1 43.1 46 63 A I E -de 102 122C 7 55,-2.6 57,-3.0 75,-0.2 2,-0.4 -0.990 10.6-168.4-130.7 125.7 26.6 22.4 39.5 47 64 A F E -de 103 123C 0 75,-2.7 77,-2.7 -2,-0.4 2,-0.6 -0.911 11.8-159.1-114.8 136.9 24.4 23.3 36.5 48 65 A I E -de 104 124C 0 55,-2.1 57,-2.3 -2,-0.4 2,-0.4 -0.973 21.4-173.9-113.9 114.6 24.7 22.2 32.9 49 66 A I E +de 105 125C 0 75,-2.8 77,-2.3 -2,-0.6 2,-0.3 -0.935 13.8 145.3-116.9 135.4 22.8 24.6 30.7 50 67 A T E - e 0 126C 0 55,-1.8 77,-0.1 -2,-0.4 3,-0.1 -0.976 50.9-106.6-157.4 164.0 22.3 24.3 27.0 51 68 A Y > - 0 0 1 75,-0.6 3,-0.7 -2,-0.3 5,-0.1 -0.845 69.9 -78.9 -92.2 135.6 19.9 25.0 24.1 52 69 A P T 3 S+ 0 0 1 0, 0.0 85,-0.1 0, 0.0 -1,-0.1 0.072 113.3 19.1 -38.1 140.2 18.4 21.5 23.2 53 70 A K T 3 S+ 0 0 19 83,-0.1 83,-0.1 1,-0.1 84,-0.1 0.698 84.3 117.3 70.4 24.9 20.6 19.2 21.0 54 71 A S S < S- 0 0 1 -3,-0.7 137,-0.2 72,-0.1 75,-0.1 0.457 99.4 -80.3 -98.7 -2.0 23.9 20.9 21.7 55 72 A G S > S+ 0 0 14 73,-0.1 4,-2.2 3,-0.1 5,-0.1 0.739 75.0 151.5 107.7 34.0 25.5 17.9 23.3 56 73 A T H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.967 75.5 54.0 -57.0 -55.0 24.0 18.1 26.8 57 74 A T H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.899 106.9 51.7 -47.0 -48.1 24.2 14.3 27.2 58 75 A W H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 112.7 44.7 -56.8 -50.4 27.9 14.5 26.3 59 76 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.915 111.4 53.5 -60.5 -44.9 28.6 17.2 29.0 60 77 A I H X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.897 109.8 47.2 -56.3 -45.6 26.5 15.4 31.6 61 78 A E H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.857 108.7 56.5 -65.0 -38.0 28.4 12.1 31.2 62 79 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.898 111.1 41.6 -63.8 -38.8 31.7 14.0 31.3 63 80 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.820 108.7 58.5 -81.6 -26.4 30.9 15.5 34.7 64 81 A C H X S+ 0 0 1 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.879 111.3 44.5 -66.8 -34.1 29.5 12.3 36.1 65 82 A L H <>S+ 0 0 0 -4,-1.8 5,-3.5 2,-0.2 6,-0.3 0.866 112.0 51.1 -76.1 -38.2 32.9 10.8 35.3 66 83 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.933 108.5 52.0 -64.2 -45.6 34.8 13.7 36.8 67 84 A L H 3<5S+ 0 0 27 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 112.8 44.5 -58.7 -37.9 32.8 13.6 40.0 68 85 A K T ><5S- 0 0 105 -4,-1.2 3,-2.4 -5,-0.2 -1,-0.3 0.119 115.4-120.1 -94.0 20.9 33.6 9.9 40.4 69 86 A E T < 5S- 0 0 131 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.801 75.0 -42.7 45.1 40.8 37.2 10.6 39.5 70 87 A G T 3 + 0 0 16 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.522 67.7 99.4 -62.0 -12.1 32.5 4.3 35.4 73 90 A S H 3> S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.890 80.6 48.4 -46.3 -49.5 30.6 2.5 38.1 74 91 A W H <> S+ 0 0 65 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.908 114.5 42.7 -62.3 -45.0 28.1 5.3 38.5 75 92 A I H 4 S+ 0 0 2 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 113.1 54.0 -74.5 -24.2 27.3 5.9 34.8 76 93 A R H < S+ 0 0 156 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.833 120.7 30.3 -76.0 -32.9 27.1 2.2 34.1 77 94 A S H < S+ 0 0 70 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.1 0.615 111.1 62.2-104.0 -17.1 24.5 1.6 36.9 78 95 A V S < S- 0 0 35 -4,-2.0 5,-0.1 -5,-0.2 -1,-0.1 -0.948 85.4-107.3-119.3 134.3 22.5 4.8 37.2 79 96 A P >> - 0 0 20 0, 0.0 3,-2.0 0, 0.0 4,-1.4 -0.253 26.9-125.4 -55.6 135.2 20.2 6.4 34.5 80 97 A I H 3> S+ 0 0 0 155,-2.4 4,-1.2 1,-0.3 3,-0.4 0.860 109.8 54.8 -49.5 -43.4 21.7 9.5 33.0 81 98 A W H 34 S+ 0 0 71 154,-0.2 -1,-0.3 1,-0.2 5,-0.3 0.558 108.1 50.8 -71.3 -9.0 18.5 11.6 33.8 82 99 A E H <4 S+ 0 0 120 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.699 105.3 54.5 -97.7 -27.2 18.8 10.5 37.5 83 100 A R H < S+ 0 0 7 -4,-1.4 19,-0.3 -3,-0.4 -2,-0.2 0.767 128.6 16.4 -77.7 -26.6 22.5 11.5 37.8 84 101 A A S < S- 0 0 0 -4,-1.2 -1,-0.2 17,-0.1 19,-0.2 -0.430 89.5-161.0-146.5 64.5 21.9 15.1 36.6 85 102 A P - 0 0 21 0, 0.0 19,-2.7 0, 0.0 2,-0.3 0.043 22.7-105.1 -47.0 148.8 18.0 15.8 36.8 86 103 A W B -f 104 0C 35 5,-0.3 7,-0.8 -5,-0.3 8,-0.3 -0.605 17.9-148.3 -84.4 139.0 16.3 18.5 34.9 87 104 A C S S+ 0 0 1 17,-2.2 7,-0.3 -2,-0.3 5,-0.2 0.893 93.6 38.5 -71.4 -44.0 15.2 21.7 36.8 88 105 A E S S+ 0 0 0 16,-0.2 -60,-0.5 -53,-0.1 -1,-0.2 0.609 90.1 105.0 -86.0 -16.2 12.1 22.6 34.8 89 106 A T B S-C 27 0B 23 2,-0.2 3,-0.3 -62,-0.1 -62,-0.2 -0.337 84.6-112.3 -67.0 148.0 10.7 19.1 34.1 90 107 A I S S+ 0 0 79 -64,-1.5 2,-0.7 1,-0.3 -1,-0.1 0.783 119.4 46.3 -52.0 -31.5 7.6 18.1 36.1 91 108 A V S S+ 0 0 96 -65,-0.3 -5,-0.3 3,-0.0 -1,-0.3 -0.731 93.7 158.9-110.8 78.3 9.8 15.5 37.9 92 109 A G > - 0 0 2 -2,-0.7 3,-2.7 -3,-0.3 -5,-0.2 -0.587 59.7-102.9-105.9 166.6 12.7 17.8 38.6 93 110 A A G > S+ 0 0 14 -7,-0.8 3,-0.7 1,-0.3 -6,-0.1 0.731 124.0 55.0 -53.3 -25.0 15.7 18.0 41.0 94 111 A F G 3 S+ 0 0 27 -7,-0.3 -1,-0.3 -8,-0.3 -7,-0.1 0.576 105.5 52.0 -85.2 -12.2 13.7 20.6 42.9 95 112 A S G < S+ 0 0 54 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 -0.191 107.2 69.5-113.3 36.4 10.8 18.2 43.2 96 113 A L S < S- 0 0 79 -3,-0.7 2,-0.1 -5,-0.1 -4,-0.0 -0.972 83.3-102.6-149.9 158.9 13.1 15.5 44.6 97 114 A P 0 0 127 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.451 360.0 360.0 -82.6 156.9 15.1 14.6 47.8 98 115 A D 0 0 152 -2,-0.1 -5,-0.0 3,-0.0 3,-0.0 -0.311 360.0 360.0 -62.5 360.0 18.9 15.0 48.0 99 ! 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 0.0 100 119 A P 0 0 95 0, 0.0 2,-0.3 0, 0.0 -55,-0.1 0.000 360.0 360.0 360.0 113.5 27.5 18.0 45.2 101 120 A R - 0 0 36 -17,-0.0 -55,-2.6 1,-0.0 2,-0.5 -0.566 360.0-161.9 -74.0 128.1 24.2 18.3 43.3 102 121 A L E +d 46 0C 8 -2,-0.3 2,-0.3 -19,-0.3 -55,-0.2 -0.959 18.8 174.2-110.3 125.1 24.6 18.0 39.5 103 122 A M E -d 47 0C 2 -57,-3.0 -55,-2.1 -2,-0.5 2,-0.3 -0.896 20.0-144.6-132.3 160.3 21.6 19.4 37.6 104 123 A S E +df 48 86C 0 -19,-2.7 -17,-2.2 -2,-0.3 2,-0.3 -0.935 17.8 172.7-126.7 150.2 20.6 20.0 34.0 105 124 A S E -d 49 0C 0 -57,-2.3 -55,-1.8 -2,-0.3 -19,-0.0 -0.983 29.8-170.4-159.1 143.9 18.5 22.8 32.3 106 125 A H + 0 0 20 -2,-0.3 -57,-0.1 -57,-0.2 -1,-0.1 0.292 52.4 129.3-110.4 4.5 17.4 24.1 28.9 107 126 A L - 0 0 0 1,-0.1 2,-0.2 -56,-0.1 -2,-0.1 -0.317 60.6-120.3 -66.5 139.2 15.9 27.3 30.3 108 127 A P >> - 0 0 5 0, 0.0 3,-3.4 0, 0.0 4,-1.6 -0.550 35.9-102.1 -76.9 144.8 16.9 30.7 28.7 109 128 A I T 34 S+ 0 0 26 64,-0.4 -2,-0.1 1,-0.3 64,-0.1 0.687 118.6 61.4 -40.5 -31.8 18.5 33.1 31.2 110 129 A Q T 34 S+ 0 0 114 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.643 117.1 31.3 -75.4 -9.6 15.4 35.3 31.7 111 130 A I T <4 S+ 0 0 1 -3,-3.4 3,-0.3 2,-0.1 -2,-0.2 0.619 93.1 109.9-116.3 -22.4 13.6 32.2 33.1 112 131 A F S < S- 0 0 0 -4,-1.6 4,-0.1 1,-0.2 -76,-0.1 -0.154 94.5 -59.3 -55.6 151.4 16.4 30.2 34.7 113 132 A T > - 0 0 0 1,-0.2 3,-1.9 2,-0.1 4,-0.3 -0.026 52.2-155.8 -36.1 100.7 16.5 30.0 38.6 114 133 A K G > S+ 0 0 88 -78,-2.0 3,-0.9 1,-0.3 4,-0.3 0.770 87.0 69.1 -56.0 -33.0 16.7 33.7 39.5 115 134 A A G 3 S+ 0 0 17 -77,-0.5 3,-0.4 -79,-0.4 -1,-0.3 0.542 85.2 77.9 -66.1 -3.4 18.3 33.0 42.9 116 135 A F G X S+ 0 0 0 -3,-1.9 3,-3.1 1,-0.2 -1,-0.2 0.933 77.7 65.9 -70.3 -47.7 21.3 31.9 40.9 117 136 A F T < S+ 0 0 85 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.691 106.9 42.2 -49.8 -25.1 22.6 35.4 40.1 118 137 A S T 3 S+ 0 0 113 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.160 106.5 85.0-108.3 17.1 23.4 36.0 43.7 119 138 A S S < S- 0 0 23 -3,-3.1 -77,-0.1 2,-0.1 -76,-0.1 -0.477 74.5-130.3-111.0-178.7 24.9 32.5 44.4 120 139 A K + 0 0 139 -2,-0.2 -77,-0.1 -79,-0.1 -4,-0.1 0.358 62.0 130.4-111.5 1.2 28.2 30.7 44.0 121 140 A A - 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0 0 140 -2,-0.3 -4,-0.1 1,-0.1 -136,-0.1 -0.403 47.9 -83.0 -75.0 155.3 5.4 17.5 17.2 149 168 A D - 0 0 96 -137,-0.1 -1,-0.1 1,-0.1 -7,-0.1 -0.398 37.2-129.5 -61.9 136.9 6.5 16.1 13.8 150 169 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.783 32.6-150.2 -56.4 -33.0 9.0 18.6 12.2 151 170 A G - 0 0 35 -13,-0.1 3,-0.0 4,-0.1 0, 0.0 -0.665 57.4 -7.1 88.9-151.1 7.1 18.7 8.9 152 171 A T S > S- 0 0 81 -2,-0.3 4,-3.2 1,-0.1 3,-0.3 -0.466 71.2-116.3 -77.9 151.0 9.3 19.3 5.9 153 172 A P H > S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.904 118.8 51.3 -49.8 -40.2 13.0 20.2 6.4 154 173 A D H > S+ 0 0 61 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.865 111.2 42.8 -68.6 -38.9 12.2 23.5 4.9 155 174 A Q H > S+ 0 0 85 -3,-0.3 4,-1.9 1,-0.2 3,-0.5 0.894 111.2 56.2 -75.8 -36.3 9.2 24.3 7.0 156 175 A F H X S+ 0 0 9 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.853 103.8 55.2 -61.6 -33.1 11.0 23.2 10.2 157 176 A L H X S+ 0 0 12 -4,-1.6 4,-2.6 -5,-0.3 -1,-0.2 0.807 105.8 50.4 -69.4 -31.4 13.8 25.6 9.4 158 177 A R H X S+ 0 0 146 -4,-0.9 4,-1.4 -3,-0.5 6,-0.2 0.858 110.7 50.0 -73.6 -36.7 11.5 28.6 9.2 159 178 A D H <>S+ 0 0 49 -4,-1.9 5,-3.2 2,-0.2 -2,-0.2 0.933 112.1 48.2 -65.0 -45.1 10.0 27.5 12.6 160 179 A F H ><5S+ 0 0 1 -4,-2.3 3,-2.2 1,-0.2 10,-0.4 0.957 110.3 49.8 -60.1 -53.1 13.6 27.3 14.0 161 180 A L H 3<5S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.0 49.7 -58.8 -26.7 14.6 30.7 12.6 162 181 A K T 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.266 114.7-114.8 -95.1 10.9 11.5 32.2 14.1 163 182 A G T < 5S+ 0 0 8 -3,-2.2 2,-1.0 5,-0.2 -3,-0.2 0.769 70.4 143.4 62.0 22.0 12.1 30.6 17.5 164 183 A E < + 0 0 90 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.268 46.6 85.7 -88.2 49.6 8.9 28.7 16.9 165 184 A V S > S- 0 0 2 -2,-1.0 3,-2.2 -5,-0.2 -9,-0.0 -0.896 94.7 -58.0-140.8 170.4 10.4 25.6 18.7 166 185 A Q T 3 S+ 0 0 7 -2,-0.3 -144,-0.2 1,-0.3 -2,-0.0 -0.231 124.0 11.1 -52.7 131.7 10.8 24.2 22.2 167 186 A F T 3 S- 0 0 3 -146,-3.6 -1,-0.3 -116,-0.1 -145,-0.1 0.583 112.5-110.0 74.6 11.2 12.6 26.7 24.4 168 187 A G S < S+ 0 0 9 -3,-2.2 -5,-0.2 -147,-0.2 2,-0.1 -0.190 71.9 9.1 70.9-158.9 12.3 29.5 21.9 169 188 A S > - 0 0 16 -6,-0.2 4,-2.2 -7,-0.2 5,-0.1 -0.327 48.1-151.0 -64.0 133.2 15.0 31.2 19.8 170 189 A W H > S+ 0 0 1 -10,-0.4 4,-2.6 2,-0.2 5,-0.3 0.928 100.6 53.3 -64.8 -45.8 18.5 29.7 19.6 171 190 A F H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 112.2 41.5 -54.1 -55.5 19.9 33.2 19.0 172 191 A D H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 112.5 58.5 -60.7 -40.7 18.2 34.7 22.0 173 192 A H H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -64,-0.4 0.952 114.2 32.6 -56.2 -57.7 19.1 31.7 24.1 174 193 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.891 115.6 56.8 -73.1 -36.9 22.8 31.9 23.7 175 194 A K H < S+ 0 0 57 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.945 110.1 47.5 -59.2 -43.8 23.0 35.7 23.5 176 195 A G H >< S+ 0 0 12 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.946 112.4 46.9 -60.3 -51.7 21.3 35.9 26.8 177 196 A W H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.749 101.0 64.7 -64.5 -27.7 23.5 33.3 28.6 178 197 A L G >< S+ 0 0 17 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.668 80.6 83.7 -71.5 -10.5 26.8 34.7 27.3 179 198 A R G < S+ 0 0 206 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.659 85.7 57.8 -64.5 -11.8 25.9 37.8 29.4 180 199 A M G X S+ 0 0 17 -3,-1.6 3,-2.4 -4,-0.1 -1,-0.3 0.598 73.7 123.7 -91.6 -14.0 27.4 35.9 32.3 181 200 A K T < + 0 0 118 -3,-1.8 3,-0.1 1,-0.3 6,-0.1 -0.277 68.8 41.3 -52.2 113.7 30.8 35.5 30.5 182 201 A G T 3 S+ 0 0 75 1,-0.7 -1,-0.3 4,-0.3 2,-0.2 -0.029 81.3 109.1 135.9 -32.7 33.3 37.0 33.0 183 202 A K S X S- 0 0 71 -3,-2.4 3,-0.9 1,-0.1 -1,-0.7 -0.522 70.7-132.7 -71.9 143.4 32.0 35.7 36.3 184 203 A D T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.637 103.8 61.7 -74.4 -11.6 34.4 33.1 37.6 185 204 A N T 3 S+ 0 0 16 -5,-0.1 -62,-1.2 -63,-0.1 2,-0.4 -0.135 94.0 79.4-104.2 35.9 31.5 30.7 38.3 186 205 A F E < -g 123 0C 14 -3,-0.9 2,-0.4 -64,-0.2 -4,-0.3 -0.993 55.9-172.7-143.5 132.8 30.5 30.5 34.7 187 206 A L E -g 124 0C 17 -64,-2.3 -62,-3.6 -2,-0.4 2,-0.5 -0.996 5.7-163.4-130.4 128.2 32.1 28.5 31.9 188 207 A F E +g 125 0C 21 -2,-0.4 2,-0.3 -64,-0.2 -62,-0.2 -0.955 22.6 157.9-111.6 122.8 31.3 28.7 28.2 189 208 A I E -g 126 0C 0 -64,-2.6 -62,-1.9 -2,-0.5 2,-0.3 -0.973 27.2-131.1-142.7 155.3 32.4 25.8 26.1 190 209 A T E >> -g 127 0C 1 -2,-0.3 4,-1.6 -64,-0.2 3,-1.2 -0.840 20.9-125.3-116.8 151.1 31.3 24.4 22.7 191 210 A Y H 3> S+ 0 0 11 -64,-2.7 4,-1.5 -2,-0.3 -63,-0.2 0.815 114.3 58.8 -52.1 -32.9 30.4 21.1 21.2 192 211 A E H 3> S+ 0 0 24 -65,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.821 101.5 51.9 -70.1 -32.1 33.0 21.9 18.6 193 212 A E H <> S+ 0 0 53 -3,-1.2 4,-1.6 2,-0.2 8,-0.2 0.890 109.2 49.7 -72.3 -38.7 35.8 22.2 21.2 194 213 A L H < S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 110.8 51.1 -66.1 -36.2 35.0 18.9 22.7 195 214 A Q H < S+ 0 0 74 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.846 112.8 45.1 -70.3 -34.1 35.1 17.3 19.2 196 215 A Q H < S+ 0 0 170 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.732 137.4 1.3 -83.4 -22.8 38.4 18.8 18.4 197 216 A D X + 0 0 81 -4,-1.6 4,-2.4 -5,-0.1 -1,-0.2 -0.458 60.9 174.6-167.6 83.5 40.1 17.9 21.7 198 217 A L H > S+ 0 0 23 -3,-0.3 4,-3.0 2,-0.2 5,-0.1 0.915 84.9 49.5 -61.4 -46.1 38.1 16.0 24.3 199 218 A Q H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.950 111.0 49.7 -59.4 -50.5 41.0 15.6 26.8 200 219 A G H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.931 113.0 47.6 -53.1 -48.5 41.9 19.3 26.6 201 220 A S H X S+ 0 0 6 -4,-2.4 4,-2.6 -8,-0.2 5,-0.2 0.927 110.4 52.2 -59.5 -46.8 38.3 20.2 27.2 202 221 A V H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.932 109.6 47.4 -56.2 -49.6 38.0 17.7 30.1 203 222 A E H X S+ 0 0 95 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.907 112.3 52.8 -58.5 -41.1 41.1 19.1 31.9 204 223 A R H X S+ 0 0 115 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.897 108.6 47.7 -59.3 -47.3 39.6 22.6 31.3 205 224 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.764 109.4 55.2 -67.9 -25.7 36.3 21.7 32.9 206 225 A C H X>S+ 0 0 5 -4,-1.7 5,-2.6 -5,-0.2 4,-1.4 0.902 106.7 49.5 -73.2 -40.6 38.2 20.2 35.8 207 226 A G H ><5S+ 0 0 57 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.975 111.2 50.2 -58.9 -52.5 40.1 23.4 36.4 208 227 A F H 3<5S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 115.1 42.7 -52.5 -41.9 36.8 25.2 36.3 209 228 A L H 3<5S- 0 0 14 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.616 109.7-121.3 -82.8 -12.3 35.2 22.8 38.8 210 229 A G T <<5S+ 0 0 59 -4,-1.4 -3,-0.2 -3,-1.1 -2,-0.1 0.882 75.0 123.5 72.8 38.2 38.3 22.7 41.0 211 230 A R < - 0 0 77 -5,-2.6 -1,-0.1 -6,-0.1 -2,-0.1 -0.665 43.7-165.6-134.7 80.5 38.6 19.0 40.6 212 231 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 -0.171 7.5-154.0 -62.0 155.4 42.1 17.9 39.2 213 232 A L - 0 0 36 -10,-0.0 2,-0.1 3,-0.0 -143,-0.0 -0.983 15.4-113.8-137.7 148.0 42.7 14.4 37.9 214 233 A G > - 0 0 44 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.420 40.0-104.7 -75.1 153.8 45.6 12.1 37.4 215 234 A K H > S+ 0 0 96 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.767 125.0 58.0 -47.6 -21.0 46.7 11.2 33.9 216 235 A E H > S+ 0 0 165 2,-0.2 4,-1.7 3,-0.1 3,-0.4 0.995 107.7 34.3 -70.7 -78.4 44.9 8.1 35.0 217 236 A A H > S+ 0 0 19 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.842 116.4 61.2 -47.8 -37.5 41.4 9.1 35.9 218 237 A L H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.950 101.7 49.3 -55.8 -55.4 41.6 11.6 33.1 219 238 A G H X S+ 0 0 35 -4,-1.4 4,-2.7 -3,-0.4 -1,-0.2 0.848 111.2 51.3 -54.0 -37.8 42.2 8.9 30.5 220 239 A S H X S+ 0 0 32 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.948 107.9 49.6 -65.8 -50.3 39.2 7.1 31.9 221 240 A V H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.893 114.7 47.0 -54.3 -43.1 36.8 10.1 31.7 222 241 A V H >X S+ 0 0 31 -4,-2.4 4,-0.8 -5,-0.2 3,-0.6 0.946 112.2 49.0 -63.7 -51.2 38.0 10.7 28.1 223 242 A A H >< S+ 0 0 56 -4,-2.7 3,-0.7 1,-0.2 6,-0.3 0.913 115.6 42.8 -56.3 -48.3 37.5 7.0 27.2 224 243 A H H 3< S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.596 108.3 59.3 -77.5 -11.9 34.1 6.7 28.6 225 244 A S H << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.594 79.7 114.5 -91.0 -12.4 32.9 10.1 27.3 226 245 A T S S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 113.3 50.3 -49.2 -51.5 30.5 8.8 21.4 228 247 A S H > S+ 0 0 85 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.945 114.1 44.6 -55.5 -49.8 31.1 5.1 20.6 229 248 A A H >> S+ 0 0 33 -6,-0.3 4,-0.7 1,-0.2 3,-0.6 0.925 114.5 49.6 -60.0 -46.4 31.4 4.3 24.4 230 249 A M H >< S+ 0 0 5 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.853 105.9 54.1 -64.2 -37.4 28.4 6.4 25.2 231 250 A K H 3< S+ 0 0 85 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.750 109.0 51.6 -70.1 -19.9 26.1 4.9 22.6 232 251 A A H << S+ 0 0 76 -4,-1.0 2,-0.9 -3,-0.6 -1,-0.2 0.622 87.1 93.3 -90.4 -14.4 26.9 1.5 24.0 233 252 A N XX - 0 0 29 -4,-0.7 4,-2.1 -3,-0.6 3,-1.5 -0.713 63.7-156.4 -85.7 108.2 26.1 2.4 27.6 234 253 A T T 34 S+ 0 0 73 -2,-0.9 6,-0.3 1,-0.3 5,-0.3 0.742 92.2 53.0 -53.5 -28.3 22.5 1.4 28.2 235 254 A M T 34 S+ 0 0 45 -160,-0.2 -155,-2.4 1,-0.1 -1,-0.3 0.729 116.4 38.2 -82.2 -20.7 22.1 3.9 31.1 236 255 A S T <4 S+ 0 0 0 -3,-1.5 -2,-0.2 -6,-0.2 -1,-0.1 0.666 105.4 62.7-102.9 -19.2 23.4 6.8 29.0 237 256 A N S < S- 0 0 15 -4,-2.1 16,-0.6 -6,-0.1 17,-0.3 0.257 97.8-123.8 -94.1 14.3 21.9 6.2 25.5 238 257 A Y > + 0 0 16 -5,-0.2 3,-1.6 -3,-0.2 -3,-0.1 0.551 70.0 132.1 59.3 12.4 18.2 6.5 26.6 239 258 A T T 3 + 0 0 68 -5,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.488 64.9 67.3 -72.3 1.2 17.3 3.0 25.3 240 259 A L T 3 S+ 0 0 89 -6,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.571 77.9 104.5 -94.5 -11.6 15.6 2.4 28.6 241 260 A L S < S- 0 0 26 -3,-1.6 7,-0.2 1,-0.1 5,-0.1 -0.343 86.8 -87.3 -71.3 152.2 12.9 5.0 28.0 242 261 A P >> - 0 0 19 0, 0.0 4,-1.8 0, 0.0 3,-1.7 -0.363 37.0-120.3 -59.5 127.6 9.2 4.0 27.1 243 262 A P T 34 S+ 0 0 91 0, 0.0 6,-0.1 0, 0.0 -98,-0.1 0.735 112.4 57.7 -43.0 -30.4 8.8 3.6 23.4 244 263 A S T 34 S+ 0 0 45 1,-0.2 3,-0.3 -240,-0.1 -240,-0.0 0.909 108.3 45.2 -69.4 -39.6 6.1 6.2 23.3 245 264 A L T <4 S+ 0 0 19 -3,-1.7 -100,-3.1 1,-0.3 -99,-0.4 0.860 135.2 11.4 -69.9 -38.0 8.5 8.8 24.8 246 265 A L B < S-H 144 0D 3 -4,-1.8 2,-1.7 -102,-0.2 -1,-0.3 -0.884 75.9-137.9-146.6 110.6 11.3 7.8 22.4 247 266 A D >> + 0 0 37 -104,-2.3 4,-1.6 -2,-0.3 3,-1.5 -0.482 23.4 177.1 -71.7 86.5 10.7 5.5 19.5 248 267 A H T 34 S+ 0 0 60 -2,-1.7 -1,-0.2 1,-0.3 -9,-0.0 0.784 79.4 65.0 -60.0 -27.6 13.7 3.2 19.6 249 268 A R T 34 S+ 0 0 212 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.828 111.1 35.3 -64.7 -31.0 12.3 1.3 16.7 250 269 A R T <4 S- 0 0 169 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.668 126.5 -27.0 -99.0 -21.3 12.8 4.5 14.6 251 270 A G < - 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