==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-AUG-04 1U83 . COMPND 2 MOLECULE: PHOSPHOSULFOLACTATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.E.CUFF,X.XU,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MIDWEST CEN . 225 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 11 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 1 0 0 1 1 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 D 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.7 12.5 -11.3 71.8 2 4 A F + 0 0 202 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.024 360.0 156.9-131.9 18.0 11.6 -7.6 71.3 3 5 A S - 0 0 107 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.004 20.9-172.2 -51.3 148.9 12.2 -8.1 67.6 4 6 A L - 0 0 118 2,-0.0 2,-0.7 0, 0.0 -2,-0.1 -0.943 32.3-105.6-140.4 159.0 10.6 -5.8 64.9 5 7 A E + 0 0 191 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.812 54.3 165.5 -88.1 116.5 10.4 -5.8 61.1 6 8 A L - 0 0 70 -2,-0.7 214,-0.1 1,-0.0 213,-0.1 -0.917 42.8 -79.3-134.0 158.8 12.8 -3.1 60.0 7 9 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.221 54.3-106.0 -54.4 142.1 14.5 -1.9 56.8 8 10 A V - 0 0 128 1,-0.0 2,-0.3 192,-0.0 192,-0.0 -0.584 40.4-160.7 -74.1 129.9 17.5 -4.0 55.8 9 11 A R - 0 0 27 -2,-0.3 2,-0.1 -3,-0.1 191,-0.1 -0.820 18.9-112.3-112.3 151.3 20.8 -2.1 56.5 10 12 A T - 0 0 34 -2,-0.3 2,-0.3 6,-0.1 4,-0.1 -0.463 33.4-138.1 -76.4 154.6 24.3 -2.7 55.2 11 13 A N - 0 0 132 2,-0.2 4,-0.2 -2,-0.1 30,-0.0 -0.748 38.8 -44.6-112.5 162.2 26.9 -4.0 57.7 12 14 A K S S+ 0 0 61 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.429 119.5 49.1 -68.6 141.7 30.5 -3.0 58.1 13 15 A P S S- 0 0 127 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 0.369 90.6-162.4 -78.1 128.7 32.5 -2.6 56.1 14 16 A R + 0 0 19 1,-0.2 -2,-0.1 -4,-0.1 3,-0.1 -0.654 27.5 171.3 -84.8 125.7 29.9 -0.5 54.4 15 17 A E S S+ 0 0 104 -2,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.520 81.0 21.3-102.3 -11.4 30.3 0.4 50.8 16 18 A T S S+ 0 0 28 1,-0.1 -1,-0.2 185,-0.1 185,-0.2 -0.946 111.5 43.8-147.3 162.6 26.8 1.9 50.7 17 19 A G S S+ 0 0 0 183,-1.5 184,-0.2 -2,-0.3 185,-0.2 0.853 82.1 169.4 66.4 31.9 24.5 3.2 53.4 18 20 A Q - 0 0 2 182,-0.3 185,-2.6 -3,-0.1 2,-0.5 -0.462 27.9-152.8 -81.1 151.2 27.5 5.0 54.8 19 21 A S E -a 203 0A 2 183,-0.2 25,-1.8 -2,-0.1 24,-1.8 -0.984 5.5-165.7-126.3 119.0 27.4 7.6 57.5 20 22 A I E - b 0 44A 1 183,-2.9 186,-2.5 -2,-0.5 2,-0.2 -0.919 9.3-161.3-108.1 113.0 30.2 10.3 57.7 21 23 A L E -ab 206 45A 3 23,-2.5 25,-3.3 -2,-0.6 2,-0.5 -0.623 11.9-132.7 -90.1 151.1 30.3 12.2 61.0 22 24 A I E -ab 207 46A 25 184,-2.2 2,-0.7 -2,-0.2 186,-0.5 -0.913 7.9-155.5-110.9 130.2 32.0 15.5 61.3 23 25 A D E - b 0 47A 1 23,-3.1 25,-2.0 -2,-0.5 28,-0.1 -0.904 9.7-177.5-101.4 112.6 34.4 16.4 64.1 24 26 A N S S- 0 0 85 -2,-0.7 -1,-0.1 23,-0.2 23,-0.1 0.208 75.6 -57.1 -94.7 14.7 34.6 20.1 64.6 25 27 A G S S- 0 0 42 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.716 73.0-178.5 115.2 38.0 37.2 19.9 67.4 26 28 A Y - 0 0 51 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 -0.355 35.0-103.5 -68.1 143.4 35.7 17.6 70.1 27 29 A P > - 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 -0.355 35.7-109.6 -65.6 151.5 37.7 17.0 73.2 28 30 A L H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.872 110.8 46.3 -49.0 -55.7 39.4 13.6 73.4 29 31 A Q H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 114.7 47.0 -60.8 -41.8 37.4 11.8 76.1 30 32 A F H > S+ 0 0 100 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.919 111.9 53.7 -65.0 -40.3 34.1 12.9 74.8 31 33 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.939 111.2 43.8 -57.2 -50.9 35.3 11.8 71.3 32 34 A K H X S+ 0 0 75 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.903 113.7 51.6 -61.9 -42.6 36.2 8.3 72.6 33 35 A D H X S+ 0 0 114 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.921 111.7 46.6 -61.2 -45.8 33.0 8.0 74.5 34 36 A A H X S+ 0 0 24 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.911 114.0 47.0 -65.0 -44.1 30.9 9.0 71.5 35 37 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 3,-0.4 0.913 111.8 51.3 -64.4 -42.5 32.7 6.6 69.2 36 38 A A H < S+ 0 0 57 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.907 110.0 49.7 -62.3 -42.1 32.5 3.7 71.6 37 39 A G H < S+ 0 0 59 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.721 128.0 18.2 -72.7 -20.7 28.8 4.2 72.1 38 40 A A H >< S+ 0 0 6 -4,-1.2 3,-2.3 -3,-0.4 4,-0.2 0.272 77.3 126.5-137.0 17.4 27.8 4.2 68.4 39 41 A S G >< + 0 0 18 -4,-1.5 3,-1.9 1,-0.3 -3,-0.1 0.778 68.9 64.9 -47.6 -40.1 30.7 2.7 66.4 40 42 A D G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -4,-0.2 -28,-0.1 0.771 108.1 42.8 -57.6 -24.7 28.5 0.2 64.6 41 43 A Y G < S+ 0 0 79 -3,-2.3 2,-0.5 -30,-0.0 -1,-0.3 0.295 99.6 83.3-105.1 9.2 26.7 3.1 62.9 42 44 A I < + 0 0 1 -3,-1.9 -22,-0.1 -4,-0.2 3,-0.1 -0.960 40.3 164.8-117.2 122.3 29.7 5.2 62.1 43 45 A D + 0 0 10 -24,-1.8 28,-2.5 -2,-0.5 2,-0.3 0.768 68.2 15.4-104.6 -33.7 31.7 4.5 58.9 44 46 A F E -bc 20 71A 5 -25,-1.8 -23,-2.5 26,-0.2 2,-0.4 -0.968 55.3-158.6-139.8 153.7 33.8 7.7 58.5 45 47 A V E -bc 21 72A 0 26,-1.9 28,-1.3 -2,-0.3 2,-0.5 -0.987 13.3-155.1-133.5 120.6 34.8 10.6 60.7 46 48 A K E -bc 22 73A 19 -25,-3.3 -23,-3.1 -2,-0.4 2,-1.2 -0.865 13.0-139.5 -98.9 125.9 35.9 13.8 58.9 47 49 A F E -bc 23 74A 1 26,-2.6 28,-2.4 -2,-0.5 5,-0.3 -0.754 42.4-112.6 -83.2 103.0 38.1 16.1 60.9 48 50 A G > - 0 0 0 -25,-2.0 3,-2.6 -2,-1.2 4,-0.4 0.029 52.2 -55.9 -41.9 136.7 36.5 19.4 59.8 49 51 A W T 3 S- 0 0 122 1,-0.3 26,-0.6 2,-0.1 3,-0.4 0.130 118.1 -18.3 26.9-120.3 38.4 21.8 57.6 50 52 A G T >> S+ 0 0 23 1,-0.2 3,-1.1 2,-0.1 4,-0.5 0.232 102.7 110.2 -97.4 17.0 41.7 22.7 59.3 51 53 A T G X4 + 0 0 17 -3,-2.6 3,-1.2 1,-0.2 4,-0.3 0.820 66.8 68.2 -59.0 -33.1 40.8 21.6 62.8 52 54 A S G >4 S+ 0 0 3 -4,-0.4 3,-1.3 -3,-0.4 -1,-0.2 0.843 92.1 61.3 -57.1 -33.3 43.2 18.6 62.7 53 55 A L G <4 S+ 0 0 75 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.807 108.8 41.6 -64.0 -29.4 46.1 21.1 62.7 54 56 A L G << S+ 0 0 140 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.3 0.285 90.5 106.8-100.8 9.9 45.1 22.5 66.1 55 57 A T X - 0 0 26 -3,-1.3 3,-1.2 -4,-0.3 4,-0.2 -0.793 46.2-173.4 -95.3 107.0 44.3 19.1 67.5 56 58 A K T 3 S+ 0 0 171 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.757 86.0 46.8 -69.9 -24.4 46.9 18.0 70.0 57 59 A D T 3> S+ 0 0 64 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 -0.028 71.6 124.7-106.9 30.0 45.4 14.5 70.5 58 60 A L H <> S+ 0 0 7 -3,-1.2 4,-2.7 1,-0.2 5,-0.2 0.918 71.9 54.7 -54.7 -47.1 45.0 13.8 66.8 59 61 A E H > S+ 0 0 113 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.906 109.7 46.5 -54.2 -46.1 47.0 10.6 67.0 60 62 A E H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 110.7 52.5 -67.6 -37.1 44.8 9.2 69.8 61 63 A K H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.951 111.6 46.1 -62.1 -48.1 41.6 10.1 68.0 62 64 A I H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.902 111.4 52.2 -61.4 -41.8 42.8 8.3 64.8 63 65 A S H X S+ 0 0 52 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.904 108.5 50.8 -61.5 -41.9 43.9 5.3 66.9 64 66 A T H X S+ 0 0 12 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.875 111.3 49.2 -63.5 -37.6 40.4 5.1 68.6 65 67 A L H ><>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 3,-1.0 0.944 110.7 47.1 -68.0 -49.0 38.8 5.2 65.1 66 68 A K H ><5S+ 0 0 110 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.903 109.4 56.9 -58.7 -40.2 40.9 2.4 63.6 67 69 A E H 3<5S+ 0 0 135 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.739 110.8 42.7 -62.9 -25.3 40.3 0.4 66.7 68 70 A H T <<5S- 0 0 43 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.087 120.5-106.1-109.6 21.2 36.5 0.7 66.1 69 71 A D T < 5S+ 0 0 126 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.934 72.4 140.8 53.5 55.8 36.7 0.1 62.4 70 72 A I < - 0 0 6 -5,-1.9 -26,-0.2 -8,-0.2 -1,-0.2 -0.994 43.8-138.0-129.9 131.4 36.1 3.6 61.3 71 73 A T E -c 44 0A 34 -28,-2.5 -26,-1.9 -2,-0.4 2,-0.3 -0.520 21.2-163.0 -84.9 154.4 37.8 5.4 58.4 72 74 A F E +c 45 0A 8 -28,-0.2 30,-0.7 -2,-0.2 29,-0.5 -0.921 14.4 168.2-137.2 161.5 39.0 9.0 58.7 73 75 A F E -c 46 0A 1 -28,-1.3 -26,-2.6 -2,-0.3 2,-0.3 -0.969 33.5-105.7-164.2 161.7 40.0 11.9 56.5 74 76 A F E -c 47 0A 3 -2,-0.3 30,-0.7 28,-0.2 -26,-0.2 -0.711 48.0 -89.8 -95.6 147.8 40.7 15.6 56.8 75 77 A G >> - 0 0 2 -28,-2.4 3,-1.5 -26,-0.6 4,-0.8 -0.161 33.1-119.4 -53.3 147.6 38.3 18.2 55.4 76 78 A G H 3> S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 30,-0.5 0.708 110.0 71.0 -63.0 -20.1 38.9 19.3 51.8 77 79 A T H 3> S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.812 93.0 57.1 -66.6 -27.7 39.5 22.8 52.9 78 80 A L H <> S+ 0 0 3 -3,-1.5 4,-2.1 -29,-0.2 -1,-0.2 0.934 106.4 48.4 -67.4 -44.5 42.8 21.6 54.4 79 81 A F H X S+ 0 0 0 -4,-0.8 4,-2.2 25,-0.2 -2,-0.2 0.945 112.8 48.4 -57.5 -49.5 43.9 20.3 51.0 80 82 A E H X S+ 0 0 5 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.855 106.4 57.5 -60.8 -36.6 42.9 23.6 49.4 81 83 A K H X S+ 0 0 122 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.941 109.7 43.4 -61.3 -48.0 44.8 25.6 52.1 82 84 A Y H <>S+ 0 0 43 -4,-2.1 5,-3.1 1,-0.2 3,-0.5 0.868 113.2 52.5 -66.1 -35.4 48.0 23.8 51.2 83 85 A V H ><5S+ 0 0 16 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.932 103.1 58.3 -64.6 -43.3 47.3 24.2 47.5 84 86 A S H 3<5S+ 0 0 55 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 112.0 41.6 -58.2 -24.0 46.8 27.9 47.9 85 87 A Q T 3<5S- 0 0 113 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.152 115.7-112.9-110.7 19.0 50.3 28.1 49.3 86 88 A K T < 5S+ 0 0 198 -3,-2.3 -3,-0.2 1,-0.1 3,-0.1 0.865 83.3 120.3 52.8 42.6 51.9 25.8 46.8 87 89 A K >>< + 0 0 93 -5,-3.1 4,-1.6 1,-0.1 3,-1.2 -0.129 16.5 136.1-126.0 37.5 52.6 23.2 49.4 88 90 A V H 3> S+ 0 0 27 1,-0.3 4,-2.3 -6,-0.2 5,-0.1 0.827 71.4 59.7 -53.9 -34.5 50.6 20.2 48.0 89 91 A N H 3> S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.834 101.8 52.4 -66.4 -31.0 53.5 17.9 48.8 90 92 A E H <> S+ 0 0 72 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.3 51.1 -68.8 -40.9 53.3 18.8 52.5 91 93 A F H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.933 110.7 49.7 -59.2 -45.5 49.6 17.9 52.4 92 94 A H H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.946 112.6 45.6 -58.4 -50.2 50.6 14.6 50.8 93 95 A R H X S+ 0 0 155 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.804 111.6 54.9 -64.7 -27.0 53.2 14.0 53.5 94 96 A Y H X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 110.5 42.8 -70.7 -48.2 50.7 15.0 56.1 95 97 A C H <>S+ 0 0 1 -4,-2.6 5,-2.9 1,-0.2 -2,-0.2 0.868 116.5 48.8 -66.8 -36.9 48.0 12.5 55.0 96 98 A T H ><5S+ 0 0 78 -4,-2.3 3,-1.4 -5,-0.2 -2,-0.2 0.898 106.8 56.3 -70.2 -40.6 50.6 9.8 54.6 97 99 A Y H 3<5S+ 0 0 180 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.923 109.0 45.2 -56.8 -47.9 52.1 10.4 58.0 98 100 A F T 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.420 118.5-113.0 -78.7 4.6 48.8 9.9 59.8 99 101 A G T < 5 - 0 0 39 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.860 45.3-172.8 69.1 38.4 48.2 6.8 57.7 100 102 A C < - 0 0 13 -5,-2.9 -1,-0.2 1,-0.2 3,-0.1 -0.379 22.6-179.7 -66.5 139.8 45.2 8.1 55.6 101 103 A E S S+ 0 0 117 -29,-0.5 28,-2.8 1,-0.2 2,-0.3 0.695 77.6 35.1-103.3 -36.5 43.4 5.6 53.4 102 104 A Y E -d 129 0A 9 -30,-0.7 2,-0.3 26,-0.2 -28,-0.2 -0.781 66.0-178.4-115.6 158.8 41.0 8.2 52.2 103 105 A I E -d 130 0A 2 26,-1.3 28,-2.5 -2,-0.3 2,-0.4 -0.971 22.6-126.1-152.0 151.9 41.4 12.0 51.5 104 106 A E E -d 131 0A 1 -30,-0.7 2,-0.4 -2,-0.3 -25,-0.2 -0.885 18.6-169.5-107.7 136.7 39.1 14.7 50.4 105 107 A I E +d 132 0A 0 26,-2.2 28,-1.6 -2,-0.4 2,-0.3 -0.990 20.4 153.2-123.7 127.0 39.7 16.9 47.4 106 108 A S - 0 0 0 -30,-0.5 28,-0.1 -2,-0.4 4,-0.1 -0.919 40.7-153.3-146.2 172.4 37.5 19.9 46.8 107 109 A N + 0 0 24 26,-0.4 5,-0.4 28,-0.4 10,-0.0 -0.181 54.3 124.5-141.1 38.4 37.4 23.4 45.3 108 110 A G S S+ 0 0 0 28,-0.2 29,-2.8 3,-0.1 30,-0.2 0.677 88.1 13.2 -76.7 -17.1 34.8 25.0 47.4 109 111 A T S S+ 0 0 80 1,-0.2 -1,-0.1 27,-0.2 -2,-0.1 0.693 109.6 73.8-122.6 -55.5 36.9 27.9 48.5 110 112 A L S S- 0 0 39 1,-0.1 2,-0.5 -4,-0.1 -1,-0.2 -0.500 92.3-110.6 -67.8 123.7 40.1 28.2 46.4 111 113 A P + 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.413 66.6 138.7 -58.8 108.8 39.1 29.6 42.9 112 114 A X - 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0 0 15 -4,-1.0 3,-1.5 -5,-0.8 -1,-0.2 -0.631 42.8 -49.3 126.9 174.3 16.2 4.8 51.0 199 223 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.659 129.1 52.6 -58.1 -19.9 17.7 3.5 54.4 200 224 A N T 3 S+ 0 0 37 -3,-0.2 -183,-1.5 -6,-0.1 -182,-0.3 -0.035 72.7 135.7-111.7 31.8 21.1 3.0 52.8 201 225 A V < - 0 0 2 -3,-1.5 2,-0.5 -184,-0.2 -20,-0.1 -0.458 60.5-114.8 -71.6 151.3 21.7 6.4 51.3 202 226 A N - 0 0 1 -22,-0.5 -20,-2.8 -25,-0.3 2,-0.3 -0.827 39.6-174.1 -92.7 126.5 25.2 7.7 51.9 203 227 A L E -ag 19 182A 0 -185,-2.6 -183,-2.9 -2,-0.5 2,-0.2 -0.942 8.4-171.2-127.5 147.0 25.3 10.8 54.2 204 228 A A E + g 0 183A 2 -22,-2.1 -20,-2.9 -2,-0.3 -183,-0.1 -0.783 61.1 41.8-129.0 171.7 28.0 13.2 55.3 205 229 A N E + 0 0 28 -2,-0.2 -184,-0.2 1,-0.2 -1,-0.1 0.808 69.4 167.2 58.7 33.5 28.4 16.1 57.8 206 230 A I E -a 21 0A 0 -186,-2.5 -184,-2.2 -3,-0.2 -1,-0.2 -0.643 36.6-121.9 -76.9 124.9 26.4 14.1 60.4 207 231 A P E > -a 22 0A 18 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.382 17.3-117.3 -68.7 150.8 26.9 15.8 63.8 208 232 A F G > S+ 0 0 9 -186,-0.5 3,-1.6 1,-0.3 4,-0.2 0.849 113.9 61.0 -54.0 -36.7 28.3 13.7 66.6 209 233 A H G 3 S+ 0 0 145 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.602 100.1 57.0 -70.1 -7.4 25.1 14.0 68.6 210 234 A D G <> S+ 0 0 17 -3,-2.2 4,-3.4 1,-0.1 5,-0.4 0.316 70.5 108.8-103.1 7.4 23.1 12.4 65.7 211 235 A A H <> S+ 0 0 12 -3,-1.6 4,-0.8 1,-0.2 -1,-0.1 0.919 95.3 24.0 -47.4 -54.4 25.2 9.1 65.7 212 236 A I H > S+ 0 0 85 -4,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.890 121.1 58.8 -79.0 -43.8 22.3 7.0 67.2 213 237 A A H > S+ 0 0 23 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.855 103.2 52.0 -55.9 -40.8 19.5 9.4 66.0 214 238 A L H X S+ 0 0 3 -4,-3.4 4,-2.3 1,-0.2 3,-0.3 0.925 107.0 53.4 -63.9 -42.7 20.5 9.0 62.3 215 239 A E H X S+ 0 0 11 -4,-0.8 4,-1.8 -5,-0.4 -1,-0.2 0.864 105.3 54.0 -61.2 -34.5 20.4 5.2 62.6 216 240 A T H <>S+ 0 0 35 -4,-1.7 5,-3.2 1,-0.2 6,-0.6 0.858 107.8 51.3 -68.5 -32.2 16.8 5.5 64.1 217 241 A L H ><5S+ 0 0 2 -4,-1.5 3,-1.1 -3,-0.3 -2,-0.2 0.926 108.7 49.9 -67.6 -44.3 15.8 7.5 61.0 218 242 A R H 3<5S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.850 114.7 45.5 -62.0 -34.0 17.2 4.9 58.7 219 243 A L T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.400 112.6-115.6 -91.2 2.2 15.4 2.1 60.5 220 244 A G T < 5S+ 0 0 14 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.808 76.7 131.3 68.2 27.7 12.1 4.0 60.7 221 245 A L < + 0 0 85 -5,-3.2 2,-0.3 -6,-0.2 -4,-0.2 0.228 59.6 63.8 -95.6 11.3 12.4 4.1 64.5 222 246 A R S >> S- 0 0 101 -6,-0.6 3,-1.9 -5,-0.2 4,-0.5 -0.978 94.6-110.6-133.5 146.7 11.6 7.8 64.6 223 247 A S G >4 S+ 0 0 101 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.818 109.6 65.1 -41.8 -47.8 8.3 9.5 63.5 224 248 A D G 34 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.722 120.9 19.3 -53.6 -27.8 9.8 11.2 60.4 225 249 A T G <4 S+ 0 0 15 -3,-1.9 -1,-0.3 -9,-0.1 -2,-0.2 0.136 84.5 129.9-130.3 17.1 10.5 7.8 58.6 226 250 A F << 0 0 131 -3,-1.3 -2,-0.1 -4,-0.5 -3,-0.1 0.823 360.0 360.0 -39.5 -49.1 8.1 5.6 60.7 227 251 A F 0 0 231 -4,-0.3 -7,-0.0 -3,-0.1 0, 0.0 -0.226 360.0 360.0 -91.9 360.0 6.6 4.1 57.5