==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-OCT-06 2E1T . COMPND 2 MOLECULE: ACYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHRYSANTHEMUM X MORIFOLIUM; . AUTHOR H.UNNO,F.ICHIMAIDA,M.KUSUNOKI,T.NAKAYAMA . 880 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 17.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 61 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 4 2 4 1 0 0 1 1 0 1 3 2 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 . 0 4 2 8 0 0 0 8 2 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 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 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 6 A I 0 0 148 0, 0.0 105,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.9 8.1 24.4 62.1 2 7 A L E -A 105 0A 45 103,-0.3 2,-0.5 104,-0.1 103,-0.2 -0.736 360.0-162.7 22.7 90.1 11.2 25.0 63.5 3 8 A T E -A 104 0A 54 101,-2.9 101,-2.4 -2,-0.3 2,-0.7 -0.984 15.2-138.9-115.4 124.7 11.8 28.6 64.5 4 9 A V E +A 103 0A 71 -2,-0.5 99,-0.3 99,-0.2 3,-0.1 -0.738 22.2 178.3 -85.1 118.1 15.5 29.5 65.0 5 10 A L E + 0 0 79 97,-2.0 2,-0.3 -2,-0.7 98,-0.2 0.855 66.3 0.3 -86.0 -41.8 15.7 31.8 68.1 6 11 A E E -A 102 0A 75 96,-2.0 96,-3.2 2,-0.0 2,-0.6 -0.977 48.3-157.3-152.9 137.6 19.5 32.3 68.2 7 12 A Q E +A 101 0A 128 -2,-0.3 2,-0.2 94,-0.2 94,-0.2 -0.944 37.5 169.4-108.4 102.5 22.5 31.1 66.3 8 13 A S E -A 100 0A 8 92,-2.5 92,-2.5 -2,-0.6 2,-0.4 -0.655 32.2-139.1-113.7 170.4 25.4 31.5 68.7 9 14 A Q E -A 99 0A 119 90,-0.2 2,-0.5 -2,-0.2 90,-0.2 -0.997 17.4-157.1-127.1 131.9 29.0 30.5 69.1 10 15 A V E +A 98 0A 9 88,-2.6 88,-2.9 -2,-0.4 52,-0.0 -0.957 13.9 176.0-119.8 125.2 30.4 29.3 72.4 11 16 A S - 0 0 42 -2,-0.5 86,-0.1 86,-0.2 58,-0.1 -0.790 39.9 -87.1-118.2 162.6 34.1 29.4 73.3 12 17 A P - 0 0 11 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.243 68.1 -75.0 -60.5 161.5 36.1 28.5 76.5 13 18 A P >> - 0 0 29 0, 0.0 3,-0.6 0, 0.0 4,-0.5 -0.139 61.3 -83.5 -62.4 158.1 36.3 31.4 79.0 14 19 A P T 34 S+ 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.316 111.3 12.8 -58.3 141.5 38.6 34.4 78.3 15 20 A D T 34 S+ 0 0 170 2,-0.2 3,-0.1 -3,-0.1 0, 0.0 0.908 104.5 93.4 57.3 49.3 42.2 33.8 79.4 16 21 A T T <4 S+ 0 0 62 -3,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.498 73.1 44.2-125.0 -71.3 42.0 30.0 79.9 17 22 A L < - 0 0 23 -4,-0.5 -1,-0.3 76,-0.0 -2,-0.2 -0.656 59.0-165.6 -90.3 129.9 43.0 28.0 76.9 18 23 A G - 0 0 34 -2,-0.4 2,-0.1 1,-0.2 74,-0.1 -0.399 52.4 -57.1 -89.2 178.9 46.0 28.6 74.7 19 24 A D - 0 0 105 -2,-0.1 2,-0.3 74,-0.1 74,-0.2 -0.388 68.0-177.5 -54.2 129.4 46.5 27.0 71.3 20 25 A K E -F 92 0B 98 72,-2.0 72,-3.3 -2,-0.1 2,-0.3 -0.999 16.9-161.4-141.2 139.8 46.4 23.2 71.7 21 26 A S E -F 91 0B 58 -2,-0.3 2,-0.4 70,-0.2 70,-0.2 -0.776 4.6-157.4-109.3 158.2 46.9 20.1 69.5 22 27 A L E -F 90 0B 5 68,-2.2 68,-2.5 -2,-0.3 2,-0.2 -0.960 15.1-142.3-134.5 119.2 45.8 16.5 69.9 23 28 A Q E -F 89 0B 86 -2,-0.4 2,-0.2 66,-0.2 66,-0.1 -0.544 21.0-141.7 -78.2 145.9 47.7 13.8 68.0 24 29 A L - 0 0 12 64,-0.6 2,-0.2 -2,-0.2 -1,-0.0 -0.605 6.2-143.1-110.3 164.5 45.5 10.9 66.7 25 30 A T >> - 0 0 4 -2,-0.2 4,-2.6 289,-0.1 3,-1.5 -0.703 39.7 -91.3-118.7 174.2 46.0 7.1 66.4 26 31 A F H 3> S+ 0 0 1 1,-0.3 4,-1.8 -2,-0.2 5,-0.1 0.800 125.1 64.0 -53.6 -31.7 44.9 4.5 63.9 27 32 A F H 34 S+ 0 0 7 287,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.816 110.6 37.2 -61.4 -34.1 41.8 4.0 66.0 28 33 A D H X4 S+ 0 0 1 -3,-1.5 3,-1.7 286,-0.2 -2,-0.2 0.864 110.7 59.0 -84.5 -40.7 40.9 7.6 65.1 29 34 A F H >< S+ 0 0 2 -4,-2.6 3,-1.8 1,-0.3 4,-0.2 0.781 92.0 71.2 -61.0 -29.5 42.1 7.5 61.5 30 35 A F T 3< S+ 0 0 30 -4,-1.8 3,-0.4 1,-0.3 -1,-0.3 0.816 99.3 47.9 -50.8 -34.4 39.7 4.6 60.8 31 36 A W T X S+ 0 0 21 -3,-1.7 3,-2.1 -4,-0.2 135,-0.3 0.273 74.3 116.1 -97.0 9.4 36.8 7.1 61.1 32 37 A L T < S+ 0 0 1 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.816 85.4 33.3 -49.1 -42.7 38.3 9.8 58.8 33 38 A R T 3 S+ 0 0 34 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.126 91.9 127.3-103.8 20.3 35.5 9.4 56.1 34 39 A S < - 0 0 8 -3,-2.1 774,-0.2 1,-0.1 132,-0.1 -0.401 60.5-112.7 -79.6 153.5 32.6 8.6 58.4 35 40 A P - 0 0 18 0, 0.0 130,-0.3 0, 0.0 -1,-0.1 -0.358 48.1 -81.0 -76.5 165.5 29.3 10.5 58.5 36 41 A P - 0 0 16 0, 0.0 2,-0.5 0, 0.0 128,-0.2 -0.215 35.3-124.6 -67.7 155.7 28.3 12.5 61.5 37 42 A I E -B 163 0A 24 126,-2.8 126,-2.1 -3,-0.1 2,-0.5 -0.901 26.0-163.9 -96.8 128.5 26.8 11.0 64.7 38 43 A N E +B 162 0A 10 -2,-0.5 362,-1.4 124,-0.2 361,-0.8 -0.967 11.1 176.0-118.9 119.5 23.5 12.7 65.7 39 44 A N E -BC 161 398A 22 122,-2.9 122,-3.2 -2,-0.5 2,-0.4 -0.983 10.3-162.8-127.2 140.0 22.1 12.2 69.2 40 45 A L E -BC 160 397A 1 357,-2.7 357,-1.9 -2,-0.4 2,-0.5 -0.949 6.3-167.2-122.2 141.2 19.0 13.6 70.9 41 46 A F E -BC 159 396A 8 118,-2.1 118,-3.0 -2,-0.4 2,-0.5 -0.996 13.2-158.2-124.8 117.7 18.0 13.9 74.5 42 47 A F E -BC 158 395A 0 353,-3.0 352,-2.8 -2,-0.5 353,-1.3 -0.879 8.1-169.8 -99.0 130.2 14.4 14.8 75.2 43 48 A Y E -B 157 0A 1 114,-2.9 114,-1.7 -2,-0.5 2,-0.5 -0.953 15.5-139.8-118.7 137.8 13.4 16.3 78.6 44 49 A E E +B 156 0A 93 -2,-0.4 112,-0.3 348,-0.4 111,-0.1 -0.861 42.7 134.9 -94.7 124.2 9.9 16.9 79.9 45 50 A L - 0 0 33 110,-2.2 2,-2.6 -2,-0.5 109,-0.1 -0.795 59.8-117.9-168.8 134.5 9.4 20.2 81.8 46 51 A P + 0 0 114 0, 0.0 2,-0.2 0, 0.0 109,-0.1 -0.174 54.9 166.0 -75.6 52.3 6.5 22.8 81.6 47 52 A I - 0 0 14 -2,-2.6 107,-3.7 105,-0.2 108,-0.4 -0.416 26.2-145.5 -81.5 132.7 8.9 25.6 80.3 48 53 A T > - 0 0 62 105,-0.2 4,-2.4 -2,-0.2 5,-0.1 -0.493 26.1-112.2 -88.5 165.3 7.8 28.9 78.8 49 54 A R H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 116.7 50.8 -60.5 -47.3 9.6 30.9 76.0 50 55 A S H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 112.6 46.3 -59.9 -44.8 10.5 33.8 78.4 51 56 A Q H >>S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 5,-1.1 0.915 109.9 54.4 -64.4 -40.9 12.0 31.4 80.9 52 57 A F H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -2,-0.2 0.949 115.3 39.9 -54.7 -52.8 13.8 29.5 78.1 53 58 A T H <5S+ 0 0 73 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.836 116.5 51.1 -63.4 -38.2 15.4 32.8 77.0 54 59 A E H <5S- 0 0 119 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 133.1 -3.6 -76.7 -38.9 16.0 34.1 80.5 55 60 A T T X5S+ 0 0 58 -4,-2.5 4,-2.3 -5,-0.1 5,-0.2 0.720 125.0 56.8-124.1 -41.4 17.8 31.1 82.2 56 61 A V H > S+ 0 0 58 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.900 115.8 51.0 -55.1 -41.3 22.5 31.6 79.3 59 64 A N H X S+ 0 0 70 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.886 110.0 48.1 -66.0 -41.2 23.0 28.4 81.4 60 65 A I H X S+ 0 0 4 -4,-2.9 4,-2.1 2,-0.2 5,-0.2 0.955 115.9 44.7 -62.6 -51.6 23.6 26.3 78.3 61 66 A K H X S+ 0 0 64 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.933 118.1 43.5 -55.4 -51.3 26.2 28.8 77.0 62 67 A H H X S+ 0 0 97 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.944 115.2 45.6 -65.2 -51.4 27.9 29.3 80.4 63 68 A S H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.874 116.0 47.5 -63.6 -36.3 28.0 25.6 81.4 64 69 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.932 108.9 53.7 -68.7 -48.2 29.3 24.6 78.0 65 70 A S H X S+ 0 0 20 -4,-2.6 4,-1.0 -5,-0.2 -2,-0.2 0.934 111.7 45.8 -47.2 -52.3 31.9 27.4 77.9 66 71 A I H >X S+ 0 0 14 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.914 111.2 51.9 -60.9 -46.9 33.3 26.2 81.2 67 72 A T H >X S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-1.0 0.885 102.3 61.8 -55.7 -41.8 33.3 22.5 80.1 68 73 A L H 3< S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.809 90.9 64.8 -58.6 -32.9 35.2 23.4 77.0 69 74 A K H << S+ 0 0 72 -4,-1.0 3,-0.3 -3,-0.7 -1,-0.3 0.803 111.3 38.4 -64.0 -23.1 38.2 24.6 78.9 70 75 A H H << S+ 0 0 36 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.605 121.4 45.0 -95.7 -16.0 38.6 21.0 80.2 71 76 A F >< + 0 0 0 -4,-1.0 3,-1.3 -3,-0.3 4,-0.5 -0.531 66.6 165.4-129.9 63.2 37.7 19.4 76.9 72 77 A Y G > + 0 0 11 -3,-0.3 3,-1.2 1,-0.3 4,-0.5 0.764 68.7 62.7 -56.6 -36.1 39.6 21.3 74.3 73 78 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.831 93.8 65.4 -63.5 -26.9 39.2 18.9 71.3 74 79 A F G < S+ 0 0 4 -3,-1.3 70,-0.2 1,-0.2 71,-0.2 0.817 109.1 38.1 -59.8 -28.5 35.4 19.4 71.5 75 80 A V G < S+ 0 0 2 -3,-1.2 18,-0.2 -4,-0.5 -1,-0.2 0.394 109.3 86.7-102.1 3.9 36.0 23.1 70.5 76 81 A G S < S- 0 0 3 -3,-0.9 68,-0.9 -4,-0.5 2,-0.3 -0.181 72.8-120.8 -91.5-175.5 38.8 22.1 68.1 77 82 A K E -GH 91 143B 30 14,-2.4 14,-2.3 66,-0.2 2,-0.6 -0.939 18.7-113.6-127.3 150.4 38.8 21.0 64.4 78 83 A L E -GH 90 142B 0 64,-3.0 64,-2.7 -2,-0.3 2,-0.6 -0.758 35.6-158.7 -76.7 121.9 39.9 17.9 62.5 79 84 A V E -GH 89 141B 4 10,-3.3 10,-1.6 -2,-0.6 2,-0.5 -0.923 9.1-171.9-109.1 121.5 42.8 19.1 60.3 80 85 A V E - H 0 140B 0 60,-2.5 60,-1.7 -2,-0.6 7,-0.1 -0.955 6.8-156.7-116.7 121.8 43.7 17.0 57.3 81 86 A Y - 0 0 22 -2,-0.5 58,-0.2 5,-0.4 143,-0.1 -0.660 17.7-135.1 -95.6 149.8 46.8 17.7 55.2 82 87 A P S S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 57,-0.1 0.709 80.2 95.4 -80.9 -17.9 47.2 16.6 51.5 83 88 A A S S- 0 0 47 1,-0.2 -2,-0.2 138,-0.0 138,-0.0 -0.638 76.4-139.5 -71.3 120.2 50.8 15.3 51.9 84 89 A P S S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 137,-0.1 0.658 100.0 56.1 -60.4 -14.6 50.3 11.6 52.5 85 90 A T S S+ 0 0 124 2,-0.1 2,-0.1 1,-0.0 -4,-0.0 0.977 86.4 76.7 -74.5 -70.5 53.1 12.0 55.1 86 91 A K S S- 0 0 117 1,-0.1 -5,-0.4 -6,-0.0 -3,-0.0 -0.257 81.9-131.4 -57.6 120.5 51.8 14.7 57.5 87 92 A K - 0 0 64 1,-0.1 -1,-0.1 -7,-0.1 -2,-0.1 -0.445 16.7-107.0 -81.8 140.6 49.2 13.1 59.8 88 93 A P + 0 0 0 0, 0.0 -64,-0.6 0, 0.0 2,-0.3 -0.255 45.9 174.9 -54.0 151.9 45.7 14.5 60.5 89 94 A E E -FG 23 79B 23 -10,-1.6 -10,-3.3 -66,-0.1 2,-0.6 -0.946 35.9-103.8-153.5 165.8 45.3 16.0 64.0 90 95 A I E -FG 22 78B 0 -68,-2.5 -68,-2.2 -2,-0.3 2,-0.5 -0.917 39.4-171.2 -99.5 123.3 42.9 17.9 66.2 91 96 A C E -FG 21 77B 18 -14,-2.3 -14,-2.4 -2,-0.6 2,-0.5 -0.972 12.9-167.9-118.1 127.3 43.8 21.6 66.5 92 97 A Y E -F 20 0B 15 -72,-3.3 -72,-2.0 -2,-0.5 2,-0.4 -0.964 11.0-173.7-103.6 129.6 42.2 24.2 68.8 93 98 A V > - 0 0 46 -2,-0.5 3,-2.9 -18,-0.2 -74,-0.1 -0.964 38.1 -96.7-117.9 139.8 43.2 27.8 68.1 94 99 A E T 3 S+ 0 0 129 -2,-0.4 3,-0.1 1,-0.3 -76,-0.1 -0.300 117.3 41.3 -50.7 133.3 42.2 30.8 70.3 95 100 A G T 3 S+ 0 0 70 1,-0.4 -1,-0.3 -3,-0.0 2,-0.1 0.082 85.5 128.8 103.9 -23.1 39.1 32.2 68.6 96 101 A D < + 0 0 23 -3,-2.9 -1,-0.4 -19,-0.0 2,-0.3 -0.381 34.9 178.0 -65.8 145.4 37.6 28.7 67.9 97 102 A S - 0 0 32 -86,-0.1 2,-0.5 -3,-0.1 -86,-0.2 -0.943 31.0-113.7-144.7 165.3 34.1 28.1 69.0 98 103 A V E -A 10 0A 2 -88,-2.9 -88,-2.6 -2,-0.3 2,-0.4 -0.901 32.9-124.0-101.5 125.0 31.2 25.6 69.0 99 104 A A E -A 9 0A 36 -2,-0.5 48,-2.0 46,-0.4 2,-0.4 -0.585 32.1-175.7 -66.6 122.8 28.1 26.4 67.0 100 105 A V E -Ad 8 147A 0 -92,-2.5 -92,-2.5 -2,-0.4 2,-0.4 -0.959 6.1-163.1-127.7 112.5 25.1 26.3 69.4 101 106 A T E -Ad 7 148A 14 46,-2.8 48,-2.9 -2,-0.4 2,-0.5 -0.796 3.0-160.1 -96.7 132.8 21.7 26.8 67.9 102 107 A F E +Ad 6 149A 0 -96,-3.2 -96,-2.0 -2,-0.4 -97,-2.0 -0.954 25.5 162.9-111.5 129.5 18.7 27.7 70.0 103 108 A A E -Ad 4 150A 0 46,-2.8 48,-3.3 -2,-0.5 2,-0.4 -0.842 33.1-133.5-140.9 174.1 15.3 26.9 68.5 104 109 A E E -Ad 3 151A 23 -101,-2.4 -101,-2.9 -2,-0.3 2,-0.4 -1.000 16.4-164.7-134.9 133.8 11.6 26.4 69.1 105 110 A C E -A 2 0A 2 46,-3.0 -103,-0.3 -2,-0.4 4,-0.1 -0.959 13.0-158.2-122.3 136.6 9.5 23.6 67.7 106 111 A N + 0 0 87 -105,-2.6 -104,-0.1 -2,-0.4 2,-0.1 0.341 57.0 113.8-100.1 8.3 5.7 23.6 67.6 107 112 A L S S- 0 0 50 -106,-0.2 2,-0.5 1,-0.1 -2,-0.1 -0.441 82.1 -97.6 -68.1 148.5 5.3 19.8 67.3 108 113 A D > - 0 0 60 1,-0.1 3,-1.1 -2,-0.1 4,-0.3 -0.611 28.2-146.3 -67.8 121.3 3.7 18.1 70.3 109 114 A L G >> S+ 0 0 2 -2,-0.5 4,-1.8 1,-0.3 3,-1.3 0.788 95.9 63.3 -61.4 -30.8 6.6 16.7 72.4 110 115 A N G 34 S+ 0 0 92 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.775 96.6 58.3 -66.2 -27.8 4.5 13.7 73.4 111 116 A E G <4 S+ 0 0 106 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.514 112.0 41.3 -75.3 -9.5 4.4 12.6 69.7 112 117 A L T <4 S+ 0 0 0 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.720 109.6 53.2-107.7 -31.1 8.2 12.5 69.6 113 118 A T S < S+ 0 0 6 -4,-1.8 -2,-0.1 282,-0.0 -3,-0.1 0.446 87.6 101.4 -89.8 -1.8 9.1 10.9 73.0 114 119 A G S S- 0 0 28 -4,-0.5 4,-0.1 -5,-0.1 -3,-0.0 -0.217 72.4-130.6 -73.0 169.9 6.9 7.8 72.5 115 120 A N S S+ 0 0 54 127,-0.1 128,-2.8 2,-0.1 3,-0.1 0.624 75.8 97.6 -96.1 -18.7 8.1 4.3 71.5 116 121 A H S S- 0 0 152 126,-0.2 125,-0.1 1,-0.2 -2,-0.1 -0.232 94.3 -65.8 -69.4 158.4 5.6 3.7 68.8 117 122 A P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 125,-0.2 -0.239 61.0 170.7 -50.1 124.4 6.4 4.3 65.0 118 123 A R E -J 241 0C 19 123,-2.1 123,-3.7 -3,-0.1 2,-0.1 -0.967 45.5 -83.0-132.4 146.4 6.9 8.1 64.3 119 124 A N E > -J 240 0C 56 -2,-0.3 3,-1.5 121,-0.2 121,-0.3 -0.298 32.0-143.9 -52.1 120.9 8.2 9.7 61.1 120 125 A a G > S+ 0 0 0 119,-2.4 3,-1.6 1,-0.3 4,-0.4 0.874 97.4 60.6 -54.1 -38.6 12.1 9.6 61.1 121 126 A D G 3 S+ 0 0 41 118,-0.4 3,-0.5 1,-0.3 4,-0.4 0.611 84.2 75.5 -75.9 -10.5 12.2 13.0 59.4 122 127 A K G < S+ 0 0 70 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.627 97.5 51.7 -65.4 -16.2 10.4 14.8 62.2 123 128 A F S X S+ 0 0 0 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22.2-119.0-120.7 129.0 38.2 -30.2 46.4 585 148 B P E -X 519 0F 23 0, 0.0 -66,-0.2 0, 0.0 3,-0.1 -0.293 20.6-162.6 -61.9 152.0 36.5 -31.2 43.1 586 149 B L + 0 0 2 -68,-0.8 20,-2.4 1,-0.3 2,-0.3 0.617 63.7 22.7-113.3 -16.5 36.4 -28.4 40.6 587 150 B F E + U 0 605E 9 18,-0.3 -46,-0.5 -15,-0.2 -1,-0.3 -0.975 55.2 170.3-162.1 128.9 33.7 -29.3 38.0 588 151 B S E - U 0 604E 2 16,-2.3 16,-2.6 -2,-0.3 2,-0.3 -0.966 14.2-150.8-145.0 162.0 30.6 -31.5 37.9 589 152 B V E -tU 542 603E 0 -48,-2.2 -46,-2.6 -2,-0.3 2,-0.4 -0.966 9.3-169.3-136.0 144.2 27.7 -32.0 35.4 590 153 B Q E -tU 543 602E 12 12,-2.7 12,-3.9 -2,-0.3 2,-0.5 -0.995 5.6-166.1-132.9 132.3 24.1 -33.0 35.4 591 154 B V E -tU 544 601E 0 -48,-2.8 -46,-2.8 -2,-0.4 2,-0.5 -0.983 14.3-166.1-116.3 119.8 22.1 -33.8 32.2 592 155 B T E -tU 545 600E 0 8,-2.8 8,-2.4 -2,-0.5 2,-0.4 -0.932 10.3-143.9-119.4 126.7 18.4 -33.9 32.8 593 156 B L E -tU 546 599E 0 -48,-3.0 -46,-3.0 -2,-0.5 6,-0.2 -0.723 6.6-165.5 -86.9 128.4 15.8 -35.4 30.5 594 157 B F E >> - U 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2,-0.4 -0.990 4.8-174.7-131.2 125.2 27.2 -27.3 35.2 604 167 B T E +RU 480 588E 0 -16,-2.6 -16,-2.3 -2,-0.4 2,-0.3 -0.958 11.7 171.3-118.3 135.2 28.7 -26.6 38.6 605 168 B N E -RU 479 587E 1 -126,-2.2 -126,-2.8 -2,-0.4 2,-0.4 -0.979 34.7-117.8-140.6 159.2 32.3 -25.3 39.1 606 169 B H > - 0 0 2 -20,-2.4 3,-1.7 -2,-0.3 4,-0.5 -0.795 27.7-131.9 -85.8 135.9 34.7 -24.0 41.7 607 170 B H G > S+ 0 0 33 -2,-0.4 3,-0.8 -130,-0.3 -133,-0.1 0.782 103.5 69.6 -61.8 -28.6 35.8 -20.4 41.0 608 171 B C G 3 S+ 0 0 1 -135,-0.3 -1,-0.3 1,-0.2 148,-0.2 0.758 88.4 68.0 -58.9 -23.9 39.4 -21.3 41.6 609 172 B L G < S- 0 0 2 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.899 120.0 -70.6 -59.7 -43.0 39.2 -23.4 38.3 610 173 B G < - 0 0 1 -3,-0.8 -1,-0.3 -4,-0.5 146,-0.3 -0.926 48.2 -84.6 162.6 173.5 38.8 -20.2 36.2 611 174 B D > - 0 0 6 144,-1.1 4,-2.1 -2,-0.3 3,-0.3 -0.144 59.8 -76.5 -94.6-171.0 36.6 -17.3 35.3 612 175 B A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.836 131.1 55.8 -60.2 -34.6 33.8 -17.1 32.7 613 176 B S H > S+ 0 0 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0 5 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.862 112.8 50.9 -64.8 -40.8 30.5 -28.5 22.1 624 187 B S H X S+ 0 0 20 -4,-1.8 4,-1.4 -5,-0.2 7,-0.2 0.901 112.6 46.9 -60.8 -43.0 32.7 -28.6 19.0 625 188 B I H <>S+ 0 0 0 -4,-2.8 6,-1.7 2,-0.2 5,-1.6 0.922 116.3 44.9 -67.6 -44.7 33.9 -32.1 20.0 626 189 B A H ><5S+ 0 0 15 -4,-2.6 3,-1.5 4,-0.2 4,-0.4 0.930 111.7 50.8 -61.2 -51.9 30.3 -33.2 20.6 627 190 B R H 3<5S+ 0 0 121 -4,-3.2 -1,-0.2 202,-0.3 -2,-0.2 0.788 106.3 56.2 -61.2 -30.5 28.8 -31.7 17.4 628 191 B S T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 3,-0.2 -2,-0.1 0.075 130.3 -87.2 -95.7 26.4 31.4 -33.3 15.2 629 192 B G T < 5S- 0 0 58 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.2 0.813 81.8 -52.6 79.7 35.5 30.6 -36.9 16.4 630 193 B N S + 0 0 25 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.356 66.3 97.7 -92.4 4.9 38.5 -33.5 18.4 633 196 B E H > S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.903 85.1 47.4 -67.6 -39.8 40.1 -33.0 15.0 634 197 B S H >>S+ 0 0 48 -3,-0.3 4,-2.4 2,-0.2 5,-0.7 0.812 113.9 49.9 -66.8 -31.7 38.1 -29.8 14.1 635 198 B F H 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