==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAR-03 1OV4 . COMPND 2 MOLECULE: ALCOHOL SULFOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.CHANG,R.SHI,P.RHESE,S.X.LIN . 267 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.2 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 0.4 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 3 0 1 0 2 1 2 0 2 1 1 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 2 A S 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.1 21.4 -54.9 36.1 2 3 A D - 0 0 54 2,-0.1 3,-0.1 138,-0.0 138,-0.0 0.842 360.0-148.8 -86.0 -41.9 22.2 -54.8 39.9 3 4 A D + 0 0 62 1,-0.1 137,-1.3 136,-0.1 11,-0.3 0.623 58.3 70.2 83.2 20.1 19.4 -52.3 40.3 4 5 A F S S- 0 0 89 9,-0.1 2,-1.1 135,-0.1 -1,-0.1 -0.983 78.4-112.7-162.7 150.9 20.8 -50.2 43.2 5 6 A L E -A 12 0A 39 7,-2.8 2,-0.6 -2,-0.3 7,-0.5 -0.739 32.3-157.4 -88.8 98.1 23.4 -47.7 44.2 6 7 A W E +A 11 0A 170 -2,-1.1 2,-0.4 5,-0.2 5,-0.2 -0.659 21.3 171.4 -76.4 117.0 25.7 -49.6 46.7 7 8 A F E > -A 10 0A 30 3,-2.8 3,-2.3 -2,-0.6 -2,-0.0 -0.976 61.6 -27.9-136.3 123.2 27.4 -47.0 48.8 8 9 A E T 3 S- 0 0 137 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.837 126.9 -46.7 43.6 42.3 29.6 -47.5 51.8 9 10 A G T 3 S+ 0 0 44 1,-0.2 2,-0.4 151,-0.0 -1,-0.3 0.557 120.4 102.6 81.5 10.0 27.6 -50.8 52.6 10 11 A I E < -A 7 0A 19 -3,-2.3 -3,-2.8 150,-0.1 2,-0.2 -0.987 66.3-128.2-129.5 136.2 24.2 -49.3 52.1 11 12 A A E -Ab 6 158A 12 146,-0.6 148,-2.3 -2,-0.4 -5,-0.2 -0.535 27.9-173.2 -82.4 144.7 21.8 -49.7 49.2 12 13 A F E -A 5 0A 0 -7,-0.5 -7,-2.8 -2,-0.2 5,-0.1 -0.952 34.8 -85.3-136.9 156.5 20.3 -46.6 47.5 13 14 A P - 0 0 28 0, 0.0 4,-0.2 0, 0.0 -9,-0.1 -0.280 38.9-128.8 -56.6 144.3 17.7 -45.8 44.8 14 15 A T S S+ 0 0 57 124,-0.6 3,-0.4 -11,-0.3 2,-0.2 0.913 88.8 56.1 -63.3 -41.8 19.3 -45.9 41.4 15 16 A M S S+ 0 0 77 123,-0.4 -10,-0.1 1,-0.2 3,-0.1 -0.629 105.0 20.4 -97.1 151.6 18.0 -42.5 40.5 16 17 A G S S+ 0 0 42 -2,-0.2 64,-2.8 1,-0.1 2,-0.4 0.430 105.5 90.3 78.8 -1.3 18.4 -39.1 42.2 17 18 A F - 0 0 29 -3,-0.4 2,-0.4 62,-0.2 62,-0.1 -0.986 51.4-173.8-134.0 127.2 21.4 -40.3 44.1 18 19 A R > - 0 0 164 -2,-0.4 4,-2.1 60,-0.3 5,-0.2 -0.931 29.5-131.2-117.5 141.4 25.1 -40.2 43.1 19 20 A S H > S+ 0 0 55 -2,-0.4 4,-2.3 1,-0.2 3,-0.3 0.947 108.2 55.2 -52.2 -52.3 28.0 -41.7 45.0 20 21 A E H > S+ 0 0 140 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.895 106.5 49.6 -48.4 -49.9 29.9 -38.5 44.9 21 22 A T H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.898 108.0 54.1 -59.1 -41.0 27.1 -36.5 46.5 22 23 A L H X S+ 0 0 5 -4,-2.1 4,-1.5 -3,-0.3 -1,-0.2 0.936 105.9 52.9 -58.5 -44.6 26.8 -39.1 49.2 23 24 A R H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.794 111.2 47.9 -60.1 -30.4 30.6 -38.6 50.0 24 25 A K H X>S+ 0 0 10 -4,-1.4 4,-4.1 -3,-0.3 5,-2.0 0.921 101.3 61.7 -77.4 -46.2 29.9 -34.9 50.3 25 26 A V H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.872 116.5 34.5 -45.6 -42.3 26.9 -35.2 52.6 26 27 A R H <5S+ 0 0 73 -4,-1.5 80,-2.6 79,-0.2 81,-0.3 0.933 129.8 31.7 -78.9 -51.8 29.2 -36.8 55.1 27 28 A D H <5S+ 0 0 91 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.790 134.6 11.9 -81.7 -30.2 32.5 -35.0 54.4 28 29 A E T <5S+ 0 0 128 -4,-4.1 -3,-0.2 -5,-0.2 -4,-0.1 0.779 81.7 111.7-121.3 -37.8 31.3 -31.5 53.4 29 30 A F < - 0 0 6 -5,-2.0 2,-0.6 1,-0.1 78,-0.6 -0.094 60.8-135.5 -43.1 136.4 27.7 -30.6 53.9 30 31 A V - 0 0 97 77,-0.1 2,-0.5 76,-0.1 -1,-0.1 -0.888 10.8-152.6-107.2 117.2 27.5 -28.0 56.6 31 32 A I - 0 0 10 -2,-0.6 2,-0.3 4,-0.0 81,-0.1 -0.730 11.4-148.5 -86.9 129.0 24.9 -28.3 59.4 32 33 A R > - 0 0 71 -2,-0.5 3,-1.5 1,-0.1 61,-0.1 -0.703 19.3-126.1 -96.4 149.4 23.7 -25.1 60.9 33 34 A D T 3 S+ 0 0 90 -2,-0.3 81,-0.5 1,-0.3 -1,-0.1 0.825 111.2 61.6 -62.2 -30.6 22.6 -24.9 64.6 34 35 A E T 3 S+ 0 0 38 79,-0.1 -1,-0.3 2,-0.1 79,-0.0 0.621 83.5 114.0 -70.9 -12.9 19.4 -23.3 63.4 35 36 A D < - 0 0 1 -3,-1.5 79,-1.8 57,-0.2 2,-0.5 -0.245 52.6-158.1 -64.7 146.3 18.6 -26.5 61.4 36 37 A V E -cd 94 114B 28 57,-2.7 59,-1.5 77,-0.2 2,-0.4 -0.998 18.1-164.5-124.1 121.4 15.7 -28.7 62.3 37 38 A I E -cd 95 115B 0 77,-2.9 79,-3.0 -2,-0.5 2,-0.7 -0.937 18.6-150.9-123.7 134.8 16.1 -32.3 61.1 38 39 A I E -cd 96 116B 0 57,-2.4 59,-2.1 -2,-0.4 2,-0.5 -0.851 17.7-169.0 -99.2 110.6 13.7 -35.2 60.6 39 40 A L E +cd 97 117B 0 77,-2.3 79,-2.1 -2,-0.7 2,-0.3 -0.868 19.3 151.9-102.2 124.0 15.5 -38.6 60.9 40 41 A T E - d 0 118B 0 57,-2.2 79,-0.1 -2,-0.5 3,-0.1 -0.999 49.4-120.2-153.0 146.1 13.7 -41.7 59.9 41 42 A Y > - 0 0 6 77,-0.6 3,-0.6 -2,-0.3 5,-0.1 -0.742 67.7 -82.9 -75.6 132.8 14.1 -45.2 58.6 42 43 A P T 3 S+ 0 0 9 0, 0.0 -1,-0.1 0, 0.0 87,-0.1 -0.036 115.5 22.3 -44.2 133.5 12.1 -45.1 55.3 43 44 A K T 3 S+ 0 0 69 85,-0.1 85,-0.2 -3,-0.1 86,-0.1 0.763 85.9 116.8 79.6 31.6 8.4 -45.6 55.8 44 45 A S S < S- 0 0 0 -3,-0.6 139,-0.1 74,-0.1 77,-0.1 0.351 97.5 -78.1-107.0 1.3 8.3 -44.6 59.4 45 46 A G S > S+ 0 0 15 -4,-0.1 4,-2.1 75,-0.1 5,-0.2 0.721 73.7 150.6 108.2 29.5 6.0 -41.6 59.1 46 47 A T H > S+ 0 0 7 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.885 72.7 50.7 -58.6 -45.0 8.3 -38.8 57.7 47 48 A N H > S+ 0 0 77 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.884 108.5 50.6 -65.5 -38.9 5.6 -37.0 55.9 48 49 A W H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.981 115.8 42.7 -63.0 -52.0 3.2 -36.8 58.8 49 50 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.964 117.0 47.3 -55.4 -54.1 6.0 -35.4 61.0 50 51 A A H X S+ 0 0 9 -4,-3.5 4,-1.8 1,-0.3 -1,-0.2 0.906 111.5 51.0 -52.3 -47.9 7.2 -33.1 58.2 51 52 A E H X S+ 0 0 36 -4,-3.6 4,-1.9 1,-0.2 -1,-0.3 0.841 109.0 52.2 -61.4 -34.9 3.6 -32.0 57.5 52 53 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 -3,-0.3 -1,-0.2 0.921 107.8 50.2 -68.0 -43.6 3.2 -31.2 61.2 53 54 A L H X S+ 0 0 13 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.811 111.2 49.2 -65.7 -30.1 6.3 -29.1 61.4 54 55 A C H X S+ 0 0 10 -4,-1.8 4,-3.1 -5,-0.2 -1,-0.2 0.876 109.7 51.4 -75.4 -37.7 5.2 -27.1 58.4 55 56 A L H X>S+ 0 0 2 -4,-1.9 5,-2.3 1,-0.2 4,-0.6 0.899 108.6 51.6 -63.9 -39.9 1.8 -26.6 60.0 56 57 A M H <5S+ 0 0 15 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.792 112.5 47.4 -65.4 -29.2 3.5 -25.4 63.2 57 58 A H H <5S+ 0 0 140 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.940 117.0 39.4 -77.3 -49.8 5.4 -23.0 61.0 58 59 A S H ><5S- 0 0 40 -4,-3.1 3,-1.3 3,-0.1 -2,-0.2 0.461 109.5-126.9 -78.3 -0.6 2.5 -21.7 59.0 59 60 A K T 3<5S- 0 0 99 -4,-0.6 -3,-0.2 1,-0.3 153,-0.1 0.832 74.6 -38.3 57.5 35.3 0.5 -21.8 62.3 60 61 A G T 3 S+ 0 0 55 -2,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.877 86.6 38.9 -94.7 -43.0 -2.1 -23.8 51.7 64 65 A W H > S+ 0 0 52 -3,-0.4 4,-3.4 2,-0.2 3,-0.4 0.971 117.0 52.3 -65.7 -52.3 1.6 -23.7 51.1 65 66 A I H 4 S+ 0 0 31 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 112.8 48.1 -51.3 -31.1 1.8 -27.2 52.5 66 67 A Q H 4 S+ 0 0 63 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.832 119.5 35.6 -79.8 -34.8 -0.9 -28.0 50.0 67 68 A S H < S+ 0 0 89 -4,-2.2 -2,-0.2 -3,-0.4 -3,-0.2 0.908 107.7 68.0 -85.3 -48.6 0.8 -26.4 47.0 68 69 A V S < S- 0 0 53 -4,-3.4 2,-0.0 -5,-0.2 3,-0.0 -0.493 85.1-118.0 -76.5 142.3 4.5 -27.2 47.7 69 70 A P >> - 0 0 61 0, 0.0 4,-2.4 0, 0.0 3,-0.6 -0.242 21.4-111.7 -74.7 165.9 5.7 -30.8 47.5 70 71 A I H 3> S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -2,-0.0 0.966 118.4 54.1 -61.9 -51.2 7.2 -32.8 50.4 71 72 A W H 34 S+ 0 0 156 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.655 112.4 46.4 -58.3 -15.6 10.6 -32.9 48.8 72 73 A E H <4 S+ 0 0 42 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.877 112.6 45.0 -92.8 -47.5 10.5 -29.1 48.6 73 74 A R H < S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 21,-0.2 0.728 137.8 10.8 -70.0 -23.4 9.2 -28.2 52.1 74 75 A S S < S- 0 0 3 -4,-2.2 -1,-0.3 -5,-0.2 21,-0.2 -0.530 86.8-160.7-156.9 79.9 11.7 -30.6 53.7 75 76 A P - 0 0 11 0, 0.0 21,-2.6 0, 0.0 2,-0.9 -0.148 25.3-109.0 -62.4 154.8 14.3 -32.0 51.1 76 77 A W B > -e 96 0B 43 19,-0.2 3,-2.9 1,-0.2 7,-0.5 -0.794 21.5-150.2 -91.1 105.4 16.4 -35.1 51.6 77 78 A V T 3 S+ 0 0 0 19,-1.5 -1,-0.2 -2,-0.9 20,-0.1 0.803 94.3 57.6 -42.1 -39.5 19.9 -34.0 52.3 78 79 A E T 3 S+ 0 0 0 18,-0.3 -1,-0.3 4,-0.1 -60,-0.3 0.593 92.4 87.9 -72.5 -13.4 21.3 -37.2 50.7 79 80 A S S <> S- 0 0 16 -3,-2.9 4,-3.4 1,-0.1 5,-0.3 -0.523 81.6-123.0 -89.6 156.6 19.5 -36.6 47.3 80 81 A E H > S+ 0 0 34 -64,-2.8 4,-2.1 2,-0.2 5,-0.2 0.991 112.3 43.0 -57.0 -65.2 20.8 -34.7 44.3 81 82 A I H > S+ 0 0 127 1,-0.2 4,-2.5 -65,-0.2 3,-0.5 0.935 121.3 40.1 -43.7 -66.3 17.8 -32.3 44.2 82 83 A G H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.884 109.7 56.3 -52.8 -52.0 17.7 -31.8 48.0 83 84 A Y H X S+ 0 0 43 -4,-3.4 4,-1.4 -7,-0.5 -1,-0.2 0.878 112.5 47.0 -50.5 -37.9 21.5 -31.6 48.6 84 85 A T H X S+ 0 0 77 -4,-2.1 4,-1.6 -3,-0.5 3,-0.3 0.985 114.6 44.3 -65.9 -60.3 21.4 -28.8 46.0 85 86 A A H < S+ 0 0 32 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.949 111.2 52.3 -49.5 -62.1 18.4 -27.0 47.6 86 87 A L H >< S+ 0 0 3 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.848 106.4 56.5 -44.3 -43.3 19.6 -27.3 51.2 87 88 A S H 3< S+ 0 0 58 -4,-1.4 2,-0.6 -5,-0.4 -1,-0.2 0.936 113.2 37.4 -57.6 -51.9 23.0 -25.8 50.2 88 89 A E T 3< S+ 0 0 163 -4,-1.6 2,-0.4 -3,-0.5 -1,-0.3 -0.371 96.6 111.5 -98.9 54.0 21.5 -22.6 48.7 89 90 A T < - 0 0 56 -3,-1.1 2,-0.3 -2,-0.6 4,-0.1 -0.988 68.2-115.4-129.5 136.9 18.7 -22.2 51.3 90 91 A E - 0 0 179 -2,-0.4 -2,-0.1 2,-0.1 -3,-0.0 -0.508 50.4 -78.9 -74.4 131.5 18.4 -19.5 54.0 91 92 A S S S+ 0 0 57 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.284 104.0 63.8 -61.9 150.1 18.5 -20.6 57.6 92 93 A P S S- 0 0 98 0, 0.0 2,-0.4 0, 0.0 -57,-0.2 0.521 77.8-168.6 -79.1 144.1 16.6 -21.8 59.5 93 94 A R - 0 0 8 -2,-0.1 -57,-2.7 -61,-0.1 2,-0.5 -0.824 17.5-163.6-107.7 140.7 16.4 -25.0 57.4 94 95 A L E +c 36 0B 38 -2,-0.4 2,-0.3 -59,-0.2 -57,-0.2 -0.976 29.3 146.8-118.2 116.8 14.0 -27.9 57.7 95 96 A F E -c 37 0B 0 -59,-1.5 -57,-2.4 -2,-0.5 2,-0.3 -0.898 32.6-132.8-142.1 173.8 15.0 -31.1 55.9 96 97 A S E -ce 38 76B 2 -21,-2.6 -19,-1.5 -2,-0.3 -18,-0.3 -0.793 15.5-175.8-125.2 167.5 14.8 -34.9 56.2 97 98 A S E -c 39 0B 0 -59,-2.1 -57,-2.2 -2,-0.3 -21,-0.0 -0.947 25.2-166.0-164.2 143.4 17.1 -37.9 56.0 98 99 A H + 0 0 17 -2,-0.3 -59,-0.1 -59,-0.2 -1,-0.1 0.299 53.3 132.3-109.7 4.5 17.0 -41.7 56.1 99 100 A L - 0 0 3 1,-0.1 5,-0.1 -58,-0.1 2,-0.1 -0.268 58.7-123.8 -62.8 135.7 20.7 -41.9 56.6 100 101 A P > - 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.401 36.1-100.7 -72.6 160.4 22.1 -44.2 59.3 101 102 A I G > S+ 0 0 32 64,-0.3 3,-1.3 1,-0.3 -2,-0.1 0.804 116.6 62.7 -55.6 -36.7 24.4 -42.4 61.7 102 103 A Q G 3 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.520 110.8 40.6 -71.4 0.7 27.8 -43.5 60.3 103 104 A L G < S+ 0 0 11 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.276 88.7 115.2-127.0 7.3 26.9 -41.7 57.0 104 105 A F S < S- 0 0 0 -3,-1.3 5,-0.1 -4,-0.3 -3,-0.0 -0.460 84.9 -72.4 -78.7 150.8 25.3 -38.5 58.4 105 106 A P >> - 0 0 0 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.136 38.0-142.7 -44.9 126.6 27.0 -35.1 57.9 106 107 A K G >4 S+ 0 0 103 -80,-2.6 3,-0.7 1,-0.3 4,-0.2 0.839 98.7 65.3 -60.3 -35.3 30.1 -34.9 60.1 107 108 A S G >> S+ 0 0 35 -78,-0.6 3,-1.5 -81,-0.3 4,-0.5 0.814 89.4 70.1 -59.9 -27.7 29.4 -31.2 60.7 108 109 A F G X4 S+ 0 0 4 -3,-1.0 3,-1.7 1,-0.3 5,-0.3 0.890 87.9 59.7 -55.1 -47.3 26.3 -32.3 62.6 109 110 A F G << S+ 0 0 95 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.1 0.430 108.1 46.5 -67.0 2.1 28.0 -33.9 65.6 110 111 A S G <4 S+ 0 0 114 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.436 104.2 81.3-117.8 -8.2 29.7 -30.5 66.4 111 112 A S S << S- 0 0 21 -3,-1.7 -79,-0.1 -4,-0.5 -78,-0.1 -0.125 74.6-131.0 -91.4-174.4 26.5 -28.5 66.0 112 113 A K + 0 0 73 -81,-0.1 2,-0.1 2,-0.1 -79,-0.1 -0.006 54.9 144.5-123.7 21.1 23.5 -27.6 68.1 113 114 A A - 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0 0 13 -7,-0.2 4,-2.6 -6,-0.2 5,-0.1 -0.207 49.1-150.0 -54.7 133.8 19.1 -53.0 58.3 162 163 A W H > S+ 0 0 0 -10,-0.5 4,-2.9 2,-0.2 5,-0.2 0.957 102.1 52.4 -68.5 -50.2 16.3 -51.4 60.3 163 164 A F H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.872 111.5 47.4 -50.8 -42.4 17.8 -52.8 63.5 164 165 A D H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.973 109.5 51.8 -64.4 -54.7 21.1 -51.2 62.4 165 166 A H H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -64,-0.3 0.875 114.7 44.9 -50.0 -41.2 19.6 -47.9 61.6 166 167 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.947 110.7 51.4 -69.9 -51.2 17.9 -48.0 65.1 167 168 A H H < S+ 0 0 48 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 107.7 53.9 -53.3 -44.4 21.0 -49.1 67.1 168 169 A G H < S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.915 114.6 37.3 -59.3 -48.0 23.2 -46.4 65.6 169 170 A W H >< S+ 0 0 0 -4,-1.3 3,-1.9 -5,-0.2 -1,-0.2 0.686 96.6 81.6 -80.5 -20.6 21.0 -43.4 66.5 170 171 A M G >< S+ 0 0 1 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.814 76.4 69.8 -58.9 -31.4 19.8 -44.6 69.9 171 172 A P G 3 S+ 0 0 93 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.662 97.2 56.6 -63.2 -7.2 22.9 -43.5 71.8 172 173 A M G X S+ 0 0 27 -3,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.417 72.0 105.4 -99.3 -2.2 21.6 -40.0 71.1 173 174 A R T < S+ 0 0 67 -3,-2.3 7,-0.3 1,-0.3 -1,-0.2 0.660 83.5 44.9 -55.5 -16.9 18.2 -40.4 72.7 174 175 A E T 3 S+ 0 0 154 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.350 81.8 113.5-110.9 5.2 19.3 -38.4 75.8 175 176 A E S X S- 0 0 102 -3,-2.0 3,-1.3 1,-0.1 -3,-0.0 -0.462 72.3-125.5 -72.3 150.2 21.0 -35.4 74.2 176 177 A K T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.861 110.2 51.2 -66.4 -33.8 19.2 -32.1 74.7 177 178 A N T 3 S+ 0 0 32 -63,-0.1 -62,-2.5 1,-0.1 2,-0.4 0.055 98.7 83.2 -91.6 26.9 19.0 -31.4 71.0 178 179 A F E < -f 115 0B 8 -3,-1.3 2,-0.6 -64,-0.2 -62,-0.2 -0.930 55.6-170.9-138.0 113.7 17.6 -34.9 70.2 179 180 A L E -f 116 0B 26 -64,-2.8 -62,-2.6 -2,-0.4 2,-0.6 -0.894 9.4-156.4-106.8 119.2 13.9 -35.8 70.4 180 181 A L E +f 117 0B 38 -2,-0.6 2,-0.3 -7,-0.3 -62,-0.2 -0.848 19.7 176.2 -97.5 117.5 13.0 -39.5 70.1 181 182 A L E -f 118 0B 2 -64,-3.1 -62,-2.1 -2,-0.6 2,-0.4 -0.804 21.9-139.2-118.8 160.1 9.4 -40.0 69.0 182 183 A S E >> -f 119 0B 10 -2,-0.3 4,-1.7 -64,-0.2 3,-0.7 -0.946 15.8-136.0-118.3 140.3 7.4 -43.1 68.1 183 184 A Y H 3> S+ 0 0 35 -64,-2.8 4,-2.2 -2,-0.4 5,-0.2 0.821 107.5 60.5 -60.8 -28.4 4.9 -43.3 65.2 184 185 A E H 3> S+ 0 0 44 -65,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.824 105.4 43.9 -70.7 -32.2 2.6 -45.0 67.6 185 186 A E H <> S+ 0 0 46 -3,-0.7 4,-2.1 2,-0.2 8,-0.3 0.765 111.8 56.0 -82.9 -24.9 2.5 -42.0 70.0 186 187 A L H < S+ 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.895 115.5 36.1 -71.4 -39.9 2.1 -39.8 67.0 187 188 A K H < S+ 0 0 98 -4,-2.2 3,-0.4 2,-0.1 -2,-0.2 0.845 121.3 46.4 -81.6 -34.9 -1.0 -41.7 65.8 188 189 A Q H < S+ 0 0 109 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.944 132.3 11.8 -73.7 -48.8 -2.4 -42.4 69.2 189 190 A D X + 0 0 45 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 -0.663 64.6 170.6-133.2 81.3 -2.0 -38.9 70.7 190 191 A T H > S+ 0 0 24 -3,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.838 79.4 53.2 -59.0 -35.2 -1.2 -36.3 68.1 191 192 A G H > S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.936 108.1 46.4 -67.7 -47.5 -1.6 -33.4 70.5 192 193 A R H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 115.3 50.1 -60.5 -39.4 0.7 -34.6 73.2 193 194 A T H X S+ 0 0 1 -4,-2.0 4,-2.4 -8,-0.3 -1,-0.2 0.872 109.8 48.5 -66.7 -38.2 3.2 -35.4 70.5 194 195 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.854 109.4 55.3 -69.0 -32.7 2.8 -31.9 69.0 195 196 A E H X S+ 0 0 121 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.953 108.5 47.0 -62.7 -50.2 3.2 -30.6 72.6 196 197 A K H X S+ 0 0 98 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.935 111.8 49.4 -57.5 -49.4 6.6 -32.4 72.9 197 198 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.883 109.8 55.0 -57.5 -37.0 7.8 -31.2 69.5 198 199 A C H X>S+ 0 0 9 -4,-2.2 5,-2.9 2,-0.2 4,-0.8 0.880 112.1 39.6 -64.4 -43.8 6.7 -27.7 70.6 199 200 A Q H ><5S+ 0 0 78 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.964 114.5 53.7 -69.8 -53.3 8.8 -27.7 73.8 200 201 A F H 3<5S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.884 118.2 36.3 -47.9 -44.7 11.7 -29.4 72.1 201 202 A L H 3<5S- 0 0 44 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.644 109.9-126.1 -84.9 -14.0 11.8 -26.8 69.4 202 203 A G T <<5 + 0 0 61 -4,-0.8 2,-0.5 -3,-0.7 -3,-0.2 0.862 56.6 148.4 73.4 36.1 10.8 -24.1 71.8 203 204 A K < - 0 0 41 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.902 31.6-156.5-108.1 129.7 7.9 -22.9 69.9 204 205 A T - 0 0 127 -2,-0.5 2,-0.4 -5,-0.0 -5,-0.0 -0.639 9.7-158.8 -98.1 160.2 4.8 -21.4 71.6 205 206 A L - 0 0 39 -2,-0.2 -149,-0.0 4,-0.0 -2,-0.0 -0.994 19.2-121.8-146.4 139.2 1.3 -21.3 70.2 206 207 A E >> - 0 0 124 -2,-0.4 4,-2.2 1,-0.1 3,-1.1 -0.464 39.7-110.8 -70.9 146.0 -1.9 -19.4 70.6 207 208 A P H 3> S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.867 118.6 48.7 -44.2 -48.0 -4.9 -21.7 71.5 208 209 A E H 3> S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.795 108.5 54.2 -67.9 -27.6 -6.6 -21.1 68.1 209 210 A E H <> S+ 0 0 47 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.906 109.0 48.4 -71.2 -40.2 -3.3 -21.8 66.3 210 211 A L H X S+ 0 0 44 -4,-2.2 4,-3.6 2,-0.2 5,-0.2 0.896 109.0 53.5 -65.3 -41.1 -3.0 -25.2 68.1 211 212 A N H X S+ 0 0 96 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.923 111.4 44.8 -59.7 -47.3 -6.6 -26.1 67.3 212 213 A L H X S+ 0 0 74 -4,-1.8 4,-3.6 2,-0.2 -1,-0.2 0.916 115.9 47.0 -63.9 -43.9 -6.1 -25.5 63.6 213 214 A I H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.949 112.8 48.7 -61.8 -49.8 -2.8 -27.3 63.6 214 215 A L H < S+ 0 0 55 -4,-3.6 3,-0.4 2,-0.2 -1,-0.2 0.882 114.8 48.4 -57.8 -37.3 -4.3 -30.2 65.6 215 216 A K H >< S+ 0 0 73 -4,-2.3 3,-1.1 -5,-0.2 6,-0.3 0.997 114.3 42.0 -65.4 -63.0 -7.1 -30.1 63.0 216 217 A N H 3< S+ 0 0 50 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.434 114.5 54.6 -65.5 -0.3 -4.9 -30.1 59.9 217 218 A S T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 2,-0.2 -0.117 79.5 119.9-127.5 39.3 -2.5 -32.7 61.4 218 219 A S S <> S- 0 0 16 -3,-1.1 4,-3.4 1,-0.1 5,-0.2 -0.589 76.2-108.6-100.5 164.6 -4.8 -35.6 62.3 219 220 A F H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.855 122.6 52.7 -58.5 -34.2 -4.7 -39.2 61.1 220 221 A Q H 4 S+ 0 0 155 2,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.974 112.8 43.1 -63.5 -55.1 -7.9 -38.4 59.1 221 222 A S H 4 S+ 0 0 55 -6,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.934 109.9 56.5 -54.9 -53.8 -6.3 -35.3 57.5 222 223 A M H < S+ 0 0 54 -4,-3.4 2,-0.3 2,-0.1 -1,-0.2 0.927 90.1 81.3 -46.0 -54.3 -3.0 -37.0 56.8 223 224 A K < 0 0 94 -4,-2.0 -5,-0.1 -5,-0.2 0, 0.0 -0.391 360.0 360.0 -58.1 116.7 -4.9 -39.8 54.8 224 225 A E 0 0 126 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.239 360.0 360.0-161.7 360.0 -5.4 -38.1 51.4 225 ! 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 0.0 226 238 A Y 0 0 180 0, 0.0 -89,-3.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -23.2 8.0 -43.6 38.3 227 239 A V B -G 136 0C 45 -91,-0.2 3,-0.3 1,-0.2 -91,-0.2 -0.742 360.0-153.1 -86.4 119.6 4.9 -45.4 39.6 228 240 A V S S+ 0 0 58 -93,-1.0 2,-0.5 -2,-0.6 -1,-0.2 0.858 90.7 29.5 -56.9 -39.0 4.7 -48.9 38.1 229 241 A D > - 0 0 26 -94,-0.3 4,-1.3 4,-0.1 3,-0.5 -0.870 68.4-159.8-130.5 100.1 0.9 -48.8 38.4 230 242 A K T 4 S+ 0 0 163 -2,-0.5 -1,-0.1 -3,-0.3 -2,-0.1 0.776 87.4 69.8 -43.2 -34.8 -0.8 -45.4 38.2 231 243 A T T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.961 103.9 34.2 -50.8 -68.6 -3.7 -46.9 40.0 232 244 A Q T 4 0 0 124 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.693 360.0 360.0 -63.8 -21.4 -2.3 -47.4 43.5 233 245 A L < 0 0 90 -4,-1.3 -1,-0.2 -6,-0.0 -4,-0.1 -0.028 360.0 360.0 41.8 360.0 -0.2 -44.2 43.0 234 ! 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 0.0 235 251 A S 0 0 112 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 91.3 -4.6 -52.1 53.3 236 252 A G - 0 0 73 3,-0.0 2,-0.3 5,-0.0 3,-0.0 -0.763 360.0 -56.0 97.1-128.8 -5.0 -53.2 56.9 237 253 A D > - 0 0 62 -2,-0.5 3,-2.2 -110,-0.0 4,-0.2 -0.901 55.9 -87.1-149.7 169.9 -2.2 -53.7 59.4 238 254 A W G >> S+ 0 0 36 1,-0.3 4,-2.5 -2,-0.3 3,-2.4 0.850 123.2 66.2 -56.1 -31.2 1.0 -55.8 59.5 239 255 A K G 34 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.2 8,-0.1 0.729 90.9 63.3 -62.3 -21.8 -1.1 -58.6 61.0 240 256 A N G <4 S+ 0 0 106 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.456 116.2 29.4 -81.1 0.4 -2.9 -58.8 57.7 241 257 A H T <4 S+ 0 0 50 -3,-2.4 2,-0.2 -4,-0.2 -2,-0.2 0.688 96.9 80.6-129.0 -37.0 0.4 -59.8 56.0 242 258 A F S < S- 0 0 13 -4,-2.5 2,-0.1 4,-0.1 -1,-0.1 -0.570 74.0-132.1 -74.3 137.8 2.8 -61.7 58.3 243 259 A T > - 0 0 72 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.438 30.9-102.6 -79.8 167.7 1.9 -65.3 58.6 244 260 A V H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.850 124.9 53.5 -59.4 -32.2 1.8 -66.6 62.1 245 261 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 106.2 50.4 -72.0 -35.0 5.2 -68.2 61.5 246 262 A Q H > S+ 0 0 18 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.857 108.8 53.5 -71.3 -34.3 6.8 -64.9 60.3 247 263 A A H X S+ 0 0 16 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.941 111.6 43.9 -64.5 -48.0 5.5 -63.1 63.4 248 264 A E H X S+ 0 0 124 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.907 117.1 46.3 -65.1 -42.2 7.1 -65.7 65.7 249 265 A D H X S+ 0 0 107 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 113.6 49.6 -67.1 -39.6 10.3 -65.7 63.7 250 266 A F H X S+ 0 0 1 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.948 110.2 50.1 -64.6 -45.3 10.2 -61.9 63.6 251 267 A D H X S+ 0 0 75 -4,-3.4 4,-2.7 1,-0.2 5,-0.3 0.975 110.4 49.5 -54.4 -56.4 9.7 -61.7 67.3 252 268 A K H X S+ 0 0 67 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.879 114.7 46.4 -50.0 -41.5 12.6 -64.1 68.0 253 269 A L H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.932 110.0 51.2 -68.4 -47.3 14.7 -61.9 65.6 254 270 A F H X S+ 0 0 9 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.897 111.9 48.5 -56.8 -41.8 13.7 -58.6 67.1 255 271 A Q H < S+ 0 0 62 -4,-2.7 4,-0.5 -5,-0.3 -1,-0.2 0.880 110.4 50.6 -67.4 -39.1 14.6 -59.9 70.6 256 272 A E H < S+ 0 0 142 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.849 118.8 36.6 -69.0 -34.6 18.0 -61.3 69.5 257 273 A K H < S+ 0 0 88 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.753 120.2 43.4 -91.9 -24.6 19.0 -58.0 67.9 258 274 A M S >< S+ 0 0 6 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 0.291 80.7 109.0-103.2 10.5 17.5 -55.4 70.2 259 275 A A T 3 S+ 0 0 74 -4,-0.5 4,-0.2 1,-0.3 -1,-0.2 0.883 70.4 59.7 -51.2 -48.2 18.6 -57.3 73.4 260 276 A D T 3 S+ 0 0 117 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.266 99.9 75.7 -69.9 14.6 21.2 -54.7 74.3 261 277 A L S < S- 0 0 23 -3,-1.7 2,-0.5 0, 0.0 -3,-0.0 -0.949 97.6 -94.0-129.2 149.1 18.5 -52.1 74.5 262 278 A P > - 0 0 63 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.445 31.5-146.8 -61.3 111.4 15.8 -51.3 77.0 263 279 A R G > S+ 0 0 118 -2,-0.5 3,-1.4 1,-0.3 -3,-0.0 0.818 94.6 71.7 -48.4 -32.4 12.8 -53.2 75.6 264 280 A E G 3 S+ 0 0 192 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.380 78.9 74.9 -69.5 6.3 10.7 -50.3 77.0 265 281 A L G < S+ 0 0 38 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.850 87.1 67.0 -82.1 -36.0 12.0 -48.0 74.3 266 282 A F < - 0 0 4 -3,-1.4 -1,-0.2 -4,-0.4 -146,-0.0 -0.742 69.1-165.2 -92.0 97.5 9.8 -49.7 71.7 267 283 A P + 0 0 73 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.715 59.9 97.7 -51.6 -30.6 6.1 -49.0 72.6 268 284 A W 0 0 14 1,-0.1 -2,-0.1 0, 0.0 -148,-0.0 -0.397 360.0 360.0 -69.9 140.0 4.8 -51.7 70.3 269 285 A E 0 0 89 -2,-0.1 -1,-0.1 -148,-0.0 0, 0.0 0.117 360.0 360.0 -46.3 360.0 3.9 -55.1 71.9