==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JAN-12 4DDZ . COMPND 2 MOLECULE: GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GPGS); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.ALBESA-JOVE,S.URRESTI,P.M.GEST,M.VAN DER WOERD,M.JACKSON,M . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.2 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 . 1 0.4 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 . 1 0.4 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 . 13 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 1 0 2 2 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 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 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 24 A T 0 0 118 0, 0.0 211,-1.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 126.0 24.2 13.1 28.7 2 25 A T E -a 212 0A 63 209,-0.2 2,-0.2 211,-0.0 211,-0.2 -0.878 360.0-155.3 -99.7 106.4 22.1 12.6 25.7 3 26 A W E -a 213 0A 52 209,-2.0 211,-1.0 -2,-0.7 208,-0.0 -0.551 17.1-177.9 -81.3 153.2 24.1 12.4 22.4 4 27 A H S S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.2 209,-0.1 0.626 77.6 14.9-120.8 -22.1 22.5 13.3 19.1 5 28 A R S S- 0 0 80 119,-0.0 -1,-0.3 210,-0.0 210,-0.1 -0.798 73.7-138.9-161.1 112.9 25.5 12.5 16.9 6 29 A P + 0 0 29 0, 0.0 118,-0.1 0, 0.0 207,-0.0 -0.158 22.6 169.9 -66.8 165.2 28.7 10.5 17.7 7 30 A G + 0 0 67 2,-0.1 117,-0.0 117,-0.0 0, 0.0 0.399 31.3 126.1-150.1 -20.6 32.1 11.6 16.6 8 31 A W - 0 0 60 1,-0.1 2,-0.3 115,-0.1 119,-0.1 -0.136 56.6-129.3 -46.1 137.2 34.6 9.4 18.5 9 32 A T > - 0 0 89 1,-0.1 4,-2.7 114,-0.0 5,-0.3 -0.698 18.2-117.0 -86.9 156.2 37.1 7.7 16.2 10 33 A I H > S+ 0 0 68 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.774 117.7 51.1 -57.4 -35.6 37.5 3.9 16.5 11 34 A G H > S+ 0 0 47 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.921 107.0 51.0 -70.7 -38.5 41.1 4.6 17.4 12 35 A E H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.968 112.2 48.5 -61.0 -47.2 40.3 7.1 20.1 13 36 A L H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.3 -1,-0.2 0.860 109.1 52.5 -61.4 -42.2 37.9 4.6 21.6 14 37 A E H >< S+ 0 0 89 -4,-1.7 3,-0.7 -5,-0.3 4,-0.5 0.876 108.6 49.8 -61.0 -41.9 40.4 1.8 21.5 15 38 A A H >< S+ 0 0 81 -4,-2.1 3,-0.7 -3,-0.5 -2,-0.2 0.874 105.3 58.9 -60.4 -38.7 42.9 4.0 23.3 16 39 A A H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.610 82.8 83.9 -70.1 -13.8 40.3 4.9 26.0 17 40 A K T X< - 0 0 16 -3,-0.7 3,-1.5 -4,-0.6 -1,-0.2 0.956 67.1-173.2 -59.2 -44.4 39.9 1.2 26.9 18 41 A A T < S- 0 0 87 -3,-0.7 3,-0.1 -4,-0.5 -2,-0.1 0.963 75.7 -37.8 52.6 50.9 42.8 1.3 29.2 19 42 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.132 109.2 125.6 90.3 -21.2 42.8 -2.4 30.0 20 43 A R < - 0 0 83 -3,-1.5 -1,-0.3 -4,-0.1 2,-0.3 -0.420 51.2-140.3 -67.6 144.1 39.0 -2.8 30.0 21 44 A T - 0 0 41 82,-0.2 85,-2.0 -2,-0.1 2,-0.5 -0.748 4.7-143.8-108.0 162.2 37.6 -5.4 27.7 22 45 A I E -b 106 0A 0 -2,-0.3 29,-2.2 82,-0.2 30,-1.5 -0.974 11.3-171.9-129.6 122.3 34.5 -5.4 25.5 23 46 A S E -bc 107 52A 0 83,-3.1 85,-2.9 -2,-0.5 2,-0.4 -0.902 9.2-155.0-108.1 142.9 32.2 -8.3 24.8 24 47 A V E -bc 108 53A 0 28,-2.8 30,-2.9 -2,-0.4 2,-0.5 -0.957 7.5-165.5-117.8 132.2 29.4 -8.2 22.2 25 48 A V E -bc 109 54A 0 83,-3.3 85,-2.2 -2,-0.4 30,-0.2 -0.955 9.8-170.1-120.2 127.8 26.3 -10.4 22.4 26 49 A L E - c 0 55A 0 28,-3.0 30,-2.4 -2,-0.5 2,-0.2 -0.908 15.3-155.5-112.2 104.7 23.8 -11.0 19.6 27 50 A P E - c 0 56A 10 0, 0.0 85,-1.0 0, 0.0 2,-0.4 -0.584 18.6-171.3 -75.0 143.1 20.8 -12.9 21.0 28 51 A A E + c 0 57A 2 28,-2.7 30,-3.5 -2,-0.2 2,-0.4 -0.978 28.7 170.4-148.5 124.5 19.0 -14.8 18.4 29 52 A L S S- 0 0 82 -2,-0.4 28,-0.1 28,-0.2 62,-0.0 -0.938 85.0 -29.8-127.8 105.8 15.9 -16.8 18.0 30 53 A N S S+ 0 0 62 -2,-0.4 3,-0.2 1,-0.1 -1,-0.0 0.903 85.3 140.6 56.5 54.7 15.2 -17.7 14.3 31 54 A E >> + 0 0 52 1,-0.1 4,-2.6 2,-0.1 3,-1.9 -0.187 10.1 139.6-116.2 41.9 16.9 -14.7 12.6 32 55 A E T 34 + 0 0 60 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.770 69.5 57.0 -58.9 -29.0 18.5 -16.5 9.6 33 56 A A T 34 S+ 0 0 82 -3,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.566 121.4 21.0 -74.4 -25.0 17.6 -13.7 7.3 34 57 A T T <> S+ 0 0 20 -3,-1.9 4,-1.7 78,-0.2 -2,-0.2 0.591 97.9 87.4-120.8 -19.7 19.3 -10.9 9.1 35 58 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.845 86.1 54.9 -57.9 -39.2 22.0 -12.5 11.4 36 59 A E H > S+ 0 0 71 -4,-0.4 4,-3.2 1,-0.2 5,-0.2 0.948 108.1 48.5 -60.8 -49.5 24.8 -12.6 8.8 37 60 A S H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 112.5 49.8 -57.8 -39.5 24.6 -8.9 8.0 38 61 A V H X S+ 0 0 0 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.952 112.9 45.1 -68.7 -46.1 24.6 -8.1 11.8 39 62 A I H >X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 3,-1.8 0.952 113.1 51.1 -60.0 -47.7 27.6 -10.3 12.4 40 63 A D H 3< S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 102.6 60.8 -61.3 -30.5 29.4 -8.9 9.4 41 64 A S H 3< S+ 0 0 20 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.710 118.4 27.7 -68.2 -18.1 28.7 -5.3 10.6 42 65 A I H X< S+ 0 0 6 -3,-1.8 3,-2.5 -4,-0.6 4,-0.3 0.704 96.3 82.5-116.2 -28.1 30.7 -6.0 13.9 43 66 A S G >< S+ 0 0 46 -4,-2.5 3,-1.8 1,-0.3 -3,-0.1 0.765 80.4 69.1 -63.8 -24.5 33.4 -8.7 13.2 44 67 A P G 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.782 97.3 56.3 -63.2 -15.6 35.9 -6.2 11.7 45 68 A L G X >S+ 0 0 18 -3,-2.5 5,-2.6 3,-0.1 3,-1.5 0.516 82.2 111.8 -87.2 -13.7 36.1 -4.8 15.3 46 69 A V B < 5S+h 50 0B 46 -3,-1.8 5,-0.2 -4,-0.3 3,-0.2 -0.410 80.6 19.1 -69.6 142.6 37.1 -8.1 16.8 47 70 A D T 3 5S+ 0 0 153 3,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.454 131.2 54.6 72.7 2.1 40.7 -8.4 18.1 48 71 A G T < 5S- 0 0 17 -3,-1.5 -1,-0.3 2,-0.9 -2,-0.1 0.147 127.8 -10.6-121.0-107.8 40.6 -4.6 18.2 49 72 A L T 5S+ 0 0 2 -3,-0.2 2,-0.5 1,-0.1 -3,-0.2 0.862 133.3 55.4 -62.3 -42.5 38.0 -2.6 19.9 50 73 A V B < -h 46 0B 0 -5,-2.6 -3,-1.7 -8,-0.1 -2,-0.9 -0.886 61.9-175.4 -95.6 127.9 35.9 -5.7 20.5 51 74 A D S S+ 0 0 67 -29,-2.2 2,-0.3 -2,-0.5 -28,-0.2 0.635 71.7 21.3 -93.6 -19.5 37.7 -8.5 22.3 52 75 A E E -c 23 0A 41 -30,-1.5 -28,-2.8 2,-0.0 2,-0.4 -0.981 56.4-175.1-157.3 134.5 34.8 -10.9 22.1 53 76 A L E +c 24 0A 19 -2,-0.3 21,-0.9 -30,-0.2 2,-0.3 -0.976 13.9 171.6-134.4 128.0 31.7 -11.5 20.0 54 77 A I E -cd 25 74A 1 -30,-2.9 -28,-3.0 -2,-0.4 2,-0.6 -0.955 28.0-140.6-131.6 152.7 29.0 -14.2 20.5 55 78 A V E -cd 26 75A 0 19,-2.5 21,-3.6 -2,-0.3 2,-1.0 -0.956 17.2-150.5-102.5 122.3 25.7 -15.2 19.2 56 79 A L E -cd 27 76A 0 -30,-2.4 -28,-2.7 -2,-0.6 2,-0.4 -0.823 13.2-153.4 -92.3 100.7 23.4 -16.4 21.9 57 80 A D E -cd 28 77A 10 19,-1.9 21,-0.8 -2,-1.0 -28,-0.2 -0.617 5.2-162.3 -80.2 124.3 21.3 -18.9 20.0 58 81 A S - 0 0 12 -30,-3.5 32,-0.2 -2,-0.4 -1,-0.1 -0.115 67.2 -57.8-105.7 34.1 18.0 -19.0 22.0 59 82 A G S S- 0 0 35 1,-0.2 -30,-0.1 -31,-0.1 -1,-0.1 0.719 74.5-176.7 97.7 29.6 16.6 -22.2 20.6 60 83 A S - 0 0 21 -32,-0.4 -1,-0.2 1,-0.1 -31,-0.0 -0.302 17.5-174.0 -64.3 143.5 16.5 -21.4 16.8 61 84 A T + 0 0 131 4,-0.0 -1,-0.1 3,-0.0 2,-0.1 0.264 65.7 71.3-115.6 4.4 15.1 -24.1 14.5 62 85 A D S S- 0 0 45 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.149 109.7 -75.2 -97.9-153.6 15.9 -22.3 11.3 63 86 A D S > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.214 91.8 116.2 -93.2 22.8 19.4 -21.9 9.7 64 87 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 74.9 45.9 -57.4 -46.9 20.4 -19.2 12.2 65 88 A E H > S+ 0 0 93 -3,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.948 113.8 45.5 -68.7 -45.4 23.2 -21.1 13.8 66 89 A I H > S+ 0 0 100 1,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.885 114.4 49.9 -67.8 -37.0 24.9 -22.4 10.6 67 90 A R H X S+ 0 0 77 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.932 110.8 49.2 -69.4 -35.4 24.7 -19.1 8.9 68 91 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.1 -5,-0.3 3,-0.9 0.941 111.8 49.0 -68.1 -42.1 26.2 -17.4 12.0 69 92 A I H ><5S+ 0 0 80 -4,-2.9 3,-2.7 1,-0.3 -2,-0.2 0.939 106.9 55.0 -60.0 -40.1 29.0 -20.0 12.1 70 93 A A H 3<5S+ 0 0 83 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.673 102.3 59.5 -71.8 -13.8 29.6 -19.4 8.4 71 94 A S T <<5S- 0 0 22 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.297 123.3-107.2 -94.9 10.2 30.0 -15.8 9.3 72 95 A G T < 5S+ 0 0 70 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.557 72.0 144.0 82.0 9.4 32.9 -16.7 11.6 73 96 A A < - 0 0 11 -5,-2.1 2,-0.5 1,-0.1 -1,-0.3 -0.621 54.8-121.5 -84.9 142.0 30.9 -16.1 14.8 74 97 A R E -d 54 0A 133 -21,-0.9 -19,-2.5 -2,-0.3 2,-0.6 -0.665 32.7-152.5 -74.1 121.1 31.2 -18.1 18.0 75 98 A V E -d 55 0A 23 -2,-0.5 2,-0.5 -21,-0.2 -19,-0.2 -0.877 12.3-170.9-102.8 128.4 27.7 -19.5 18.6 76 99 A V E -d 56 0A 4 -21,-3.6 -19,-1.9 -2,-0.6 2,-0.1 -0.943 10.9-146.6-123.5 122.3 26.6 -20.2 22.1 77 100 A S E > -d 57 0A 27 -2,-0.5 4,-2.0 -21,-0.2 -19,-0.2 -0.301 30.2-111.1 -73.4 163.2 23.4 -22.0 23.1 78 101 A R H > S+ 0 0 39 -21,-0.8 4,-1.0 1,-0.2 -1,-0.1 0.922 121.8 52.5 -59.8 -39.6 21.4 -21.2 26.3 79 102 A E H 4 S+ 0 0 96 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.906 109.1 47.3 -65.4 -42.2 22.5 -24.6 27.5 80 103 A Q H 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.769 103.8 61.6 -70.5 -33.9 26.2 -24.0 26.9 81 104 A A H < S- 0 0 8 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 132.5 -1.6 -58.8 -34.0 26.1 -20.6 28.5 82 105 A L S >< S+ 0 0 7 -4,-1.0 3,-1.2 -3,-0.5 -1,-0.2 -0.621 71.3 175.2-161.8 78.3 25.1 -22.1 31.9 83 106 A P T 3 S+ 0 0 97 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.728 73.0 65.9 -75.1 -19.1 24.7 -25.8 31.6 84 107 A E T 3 S+ 0 0 128 1,-0.1 -5,-0.1 2,-0.1 0, 0.0 0.562 95.9 66.1 -76.0 -11.5 24.1 -26.5 35.3 85 108 A V S < S- 0 0 21 -3,-1.2 -3,-0.1 -6,-0.2 -1,-0.1 -0.951 88.6-119.4-118.9 117.8 20.8 -24.6 35.2 86 109 A P - 0 0 112 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.094 40.1-104.0 -54.2 148.0 17.8 -25.8 33.1 87 110 A V - 0 0 43 -4,-0.1 -8,-0.1 7,-0.0 7,-0.0 -0.647 29.1-158.0 -84.6 134.2 16.7 -23.3 30.4 88 111 A R - 0 0 109 -2,-0.4 5,-0.1 2,-0.1 6,-0.1 -0.793 25.4-107.8-102.4 153.6 13.7 -21.1 30.7 89 112 A P + 0 0 110 0, 0.0 101,-0.4 0, 0.0 4,-0.2 -0.304 69.5 60.1 -71.0 155.2 12.0 -19.6 27.7 90 113 A G S > S- 0 0 27 -32,-0.2 4,-1.1 99,-0.1 3,-0.3 0.005 85.3 -84.1 114.1 162.9 12.2 -15.9 26.7 91 114 A K H >> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.930 118.0 60.4 -66.7 -41.5 14.6 -13.3 25.8 92 115 A G H 3> S+ 0 0 1 98,-1.2 4,-2.4 1,-0.3 -1,-0.2 0.828 101.3 55.1 -57.6 -37.4 15.6 -12.3 29.4 93 116 A E H 3> S+ 0 0 8 -3,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.905 107.8 49.5 -59.7 -42.9 16.9 -15.8 30.1 94 117 A A H X S+ 0 0 2 -4,-2.4 3,-1.9 -5,-0.2 4,-0.5 0.980 111.5 48.6 -64.3 -49.8 21.2 -13.4 31.5 97 120 A R H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 4,-0.6 0.838 100.3 68.0 -54.3 -36.8 22.9 -16.6 30.5 98 121 A S H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.3 4,-0.4 0.750 87.0 66.9 -60.2 -23.6 25.1 -14.6 28.1 99 122 A L H X< S+ 0 0 3 -3,-1.9 3,-0.6 -4,-0.7 -1,-0.3 0.842 100.4 50.4 -63.4 -31.9 26.8 -13.0 31.1 100 123 A A H << S+ 0 0 46 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.621 108.2 52.2 -80.5 -12.5 28.2 -16.4 31.9 101 124 A A T << S+ 0 0 12 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.439 108.7 57.6-106.7 5.6 29.5 -16.9 28.4 102 125 A T < - 0 0 11 -3,-0.6 5,-0.1 -4,-0.4 -79,-0.0 -0.795 51.4-170.8-129.5 168.1 31.3 -13.6 28.2 103 126 A S + 0 0 85 -2,-0.3 -82,-0.2 3,-0.1 2,-0.1 0.177 39.2 134.7-142.1 8.4 34.1 -11.9 30.3 104 127 A G - 0 0 1 1,-0.2 -82,-0.2 2,-0.1 75,-0.1 -0.386 56.8-137.5 -65.8 143.5 34.2 -8.3 29.0 105 128 A D S S+ 0 0 75 -84,-0.3 74,-2.3 1,-0.1 2,-0.4 0.755 101.5 42.0 -66.8 -25.9 34.4 -5.5 31.5 106 129 A I E S-bE 22 178A 7 -85,-2.0 -83,-3.1 72,-0.2 2,-0.5 -0.971 77.1-160.9-122.4 140.0 31.9 -4.0 29.1 107 130 A V E -bE 23 177A 0 70,-2.9 70,-2.2 -2,-0.4 2,-0.5 -0.976 2.8-165.8-122.8 131.2 29.0 -5.9 27.5 108 131 A V E -bE 24 176A 0 -85,-2.9 -83,-3.3 -2,-0.5 2,-0.5 -0.932 4.8-157.3-116.0 131.0 27.1 -4.7 24.4 109 132 A F E +bE 25 175A 2 66,-3.5 66,-1.8 -2,-0.5 2,-0.4 -0.920 13.0 175.5-107.9 133.7 23.8 -6.1 23.3 110 133 A I - 0 0 3 -85,-2.2 64,-0.2 -2,-0.5 2,-0.1 -0.978 31.2-120.7-135.5 124.9 22.6 -5.9 19.7 111 134 A D > - 0 0 23 -2,-0.4 3,-0.8 62,-0.2 -83,-0.1 -0.381 12.9-143.0 -65.1 144.8 19.4 -7.5 18.4 112 135 A S T 3 S+ 0 0 3 -85,-1.0 -74,-0.2 1,-0.2 -78,-0.2 0.332 90.2 74.9 -91.1 2.9 20.0 -10.0 15.5 113 136 A D T 3 + 0 0 14 -79,-0.1 108,-0.8 2,-0.1 -1,-0.2 0.288 67.0 122.5 -99.3 10.4 16.8 -8.9 13.7 114 137 A L B < -I 220 0C 2 -3,-0.8 2,-0.7 106,-0.2 106,-0.2 -0.435 62.6-128.9 -73.3 138.9 18.2 -5.6 12.4 115 138 A I S S- 0 0 72 104,-2.3 104,-0.3 1,-0.2 -81,-0.1 -0.816 78.4 -30.3 -93.5 113.3 18.3 -4.9 8.6 116 139 A N S S- 0 0 131 -2,-0.7 2,-0.3 -82,-0.2 -1,-0.2 0.937 81.9-154.9 42.5 77.5 21.8 -3.9 7.5 117 140 A P - 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g 0 213A 0 34,-1.4 29,-0.3 -2,-0.3 2,-0.3 -0.613 19.0-174.6 -94.1 159.1 20.1 3.6 21.9 141 164 A F E + g 0 214A 12 72,-1.9 74,-2.5 -2,-0.2 75,-0.5 -0.914 10.9 157.3-140.1 172.9 17.4 5.6 20.2 142 165 A Y 0 0 42 -2,-0.3 75,-0.3 72,-0.2 72,-0.0 -0.969 360.0 360.0-174.5 171.7 16.5 6.2 16.5 143 166 A R 0 0 104 73,-2.7 75,-0.8 -2,-0.3 -2,-0.0 -0.831 360.0 360.0 -92.3 360.0 13.8 7.1 14.0 144 ! 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 0.0 145 183 A G 0 0 98 0, 0.0 5,-0.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 35.5 6.5 2.6 14.3 146 184 A G > + 0 0 37 3,-0.1 4,-2.8 4,-0.0 5,-0.3 0.911 360.0 171.0 68.7 58.5 7.2 1.5 17.9 147 185 A R H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.870 76.5 45.0 -62.4 -45.6 3.6 0.8 19.0 148 186 A V H >>S+ 0 0 14 3,-0.2 5,-2.3 2,-0.2 4,-1.5 0.861 113.7 50.0 -69.1 -40.7 4.6 -0.8 22.3 149 187 A T H 4>S+ 0 0 13 3,-0.2 5,-2.7 2,-0.2 -2,-0.2 0.974 119.9 33.8 -61.9 -49.5 7.2 1.8 23.1 150 188 A E H <5S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.739 128.1 36.2 -84.9 -22.8 4.9 4.8 22.5 151 189 A L H <5S+ 0 0 131 -4,-1.9 -1,-0.2 -5,-0.3 -3,-0.2 0.619 132.7 16.3 -98.7 -28.7 1.6 3.3 23.7 152 190 A V T X5S+ 0 0 22 -4,-1.5 4,-2.4 -5,-0.3 5,-0.2 0.687 123.6 36.2-111.5 -63.7 2.8 1.1 26.6 153 191 A A H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 112.8 49.3 -62.0 -40.1 3.1 6.3 29.0 156 194 A L H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.905 109.5 51.8 -66.9 -36.4 3.6 3.9 31.9 157 195 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 7,-0.3 0.899 107.4 52.9 -62.3 -38.1 6.9 5.5 32.7 158 196 A A H < S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.964 113.7 43.7 -64.5 -39.0 5.3 8.8 32.7 159 197 A A H < S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.827 132.3 17.4 -68.0 -39.4 2.7 7.5 35.2 160 198 A L H < S+ 0 0 56 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.689 138.8 19.4-120.5 -19.5 5.0 5.6 37.4 161 199 A R >< + 0 0 35 -4,-2.7 3,-3.1 -5,-0.3 -2,-0.2 -0.404 63.4 170.2-145.7 62.5 8.6 6.8 36.9 162 200 A P G > + 0 0 77 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.682 69.9 73.9 -57.4 -18.6 8.2 10.1 35.3 163 201 A E G 3 S+ 0 0 100 1,-0.3 3,-0.5 2,-0.1 -5,-0.1 0.718 93.8 54.9 -62.3 -24.9 12.0 10.8 35.8 164 202 A L G X S+ 0 0 1 -3,-3.1 3,-1.5 -7,-0.3 -1,-0.3 0.193 75.8 103.9 -93.6 10.8 12.6 8.3 33.0 165 203 A G T < S+ 0 0 27 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.699 70.1 66.4 -60.9 -22.4 10.3 10.3 30.6 166 204 A C T 3 S+ 0 0 67 -3,-0.5 2,-0.4 -4,-0.2 -1,-0.2 0.621 74.5 103.7 -82.7 -4.5 13.3 11.5 28.9 167 205 A V < - 0 0 5 -3,-1.5 -26,-0.0 1,-0.2 -3,-0.0 -0.548 53.6-166.2 -81.1 119.2 14.3 8.1 27.6 168 206 A L S S+ 0 0 68 -2,-0.4 -1,-0.2 1,-0.2 -27,-0.1 0.911 81.7 20.9 -77.8 -32.9 13.3 8.0 23.9 169 207 A Q > + 0 0 29 -29,-0.3 3,-1.8 1,-0.1 -1,-0.2 -0.682 63.8 165.3-135.9 71.2 13.6 4.2 23.4 170 208 A P T 3 S+ 0 0 0 0, 0.0 28,-0.2 0, 0.0 -1,-0.1 0.753 82.9 49.3 -60.7 -26.9 13.4 2.4 26.8 171 209 A L T 3 S+ 0 0 15 23,-0.1 23,-0.1 24,-0.1 24,-0.1 0.316 79.6 143.3 -94.4 7.0 12.8 -1.0 25.1 172 210 A S < - 0 0 0 -3,-1.8 -3,-0.0 -32,-0.2 -31,-0.0 -0.168 43.8-153.2 -54.1 129.7 15.7 -0.6 22.7 173 211 A G S S+ 0 0 2 1,-0.1 2,-0.6 -34,-0.1 -62,-0.2 0.325 78.1 81.2 -76.4 -6.9 17.5 -3.9 22.1 174 212 A E + 0 0 0 -64,-0.2 -34,-1.4 -34,-0.1 2,-0.3 -0.951 62.6 118.0-106.2 111.3 20.7 -2.0 21.4 175 213 A Y E -EF 109 139A 2 -66,-1.8 -66,-3.5 -2,-0.6 2,-0.3 -0.983 43.2-142.0-162.2 166.3 22.6 -1.0 24.5 176 214 A A E +EF 108 138A 0 -38,-1.8 -38,-3.1 -2,-0.3 2,-0.3 -0.975 21.2 166.1-135.5 151.5 25.8 -1.4 26.5 177 215 A A E -EF 107 137A 0 -70,-2.2 -70,-2.9 -2,-0.3 -40,-0.2 -0.974 39.7 -87.0-158.2 162.5 26.6 -1.6 30.2 178 216 A S E > -E 106 0A 12 -42,-1.6 4,-2.5 -2,-0.3 -72,-0.2 -0.486 29.9-130.3 -71.7 144.2 29.3 -2.5 32.7 179 217 A R H > S+ 0 0 44 -74,-2.3 4,-3.1 1,-0.2 5,-0.3 0.907 109.7 61.6 -58.3 -37.7 29.6 -6.1 33.7 180 218 A E H 4 S+ 0 0 109 -75,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.933 109.2 40.3 -58.2 -45.6 29.7 -4.8 37.3 181 219 A L H >> S+ 0 0 1 2,-0.2 3,-1.6 1,-0.2 4,-0.6 0.973 116.0 48.4 -63.3 -52.9 26.2 -3.4 36.8 182 220 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.3 92,-0.4 0.866 110.6 49.7 -61.7 -39.6 24.7 -6.2 34.8 183 221 A T T 3< S+ 0 0 16 -4,-3.1 92,-2.1 1,-0.3 -1,-0.3 0.520 109.1 55.1 -78.3 -3.7 25.9 -9.0 37.1 184 222 A S T <4 S+ 0 0 16 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.493 98.7 77.2-103.1 -4.7 24.5 -7.0 40.1 185 223 A L S << S- 0 0 5 -3,-1.0 89,-0.5 -4,-0.6 90,-0.1 -0.778 79.1-123.2-109.3 145.9 21.0 -6.8 38.6 186 224 A P - 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