==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-09 3IN1 . COMPND 2 MOLECULE: UNCHARACTERIZED SUGAR KINASE YDJH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 624 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 61 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 0 0 0 4 0 2 2 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 5 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 0 0 0 2 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 N 0 0 156 0, 0.0 2,-0.6 0, 0.0 54,-0.3 0.000 360.0 360.0 360.0 -5.8 60.7 38.7 9.5 2 4 A L + 0 0 4 129,-0.5 131,-0.2 1,-0.2 54,-0.2 -0.780 360.0 169.2 -90.0 121.1 63.0 41.7 9.0 3 5 A D + 0 0 31 52,-2.0 131,-2.5 -2,-0.6 130,-1.2 0.828 59.3 35.1 -99.0 -40.1 61.3 44.6 7.3 4 6 A V E -ab 56 134A 0 51,-2.0 53,-2.7 129,-0.2 2,-0.5 -0.950 48.8-168.5-128.9 139.1 63.8 47.5 7.6 5 7 A I E -ab 57 135A 2 129,-2.2 131,-2.9 -2,-0.4 2,-0.5 -0.982 18.0-164.7-117.5 120.9 67.5 47.9 7.6 6 8 A C E -ab 58 136A 0 51,-2.9 53,-2.6 -2,-0.5 2,-0.5 -0.933 1.1-160.4-111.3 129.6 68.6 51.4 8.7 7 9 A I E +ab 59 137A 2 129,-2.7 131,-1.6 -2,-0.5 2,-0.3 -0.940 39.1 91.3-112.7 129.7 72.1 52.6 8.1 8 10 A G S S- 0 0 4 51,-1.7 2,-0.5 -2,-0.5 53,-0.1 -0.955 74.0 -58.7 169.8 176.0 73.6 55.5 10.0 9 11 A A - 0 0 1 129,-0.3 2,-0.5 -2,-0.3 34,-0.4 -0.668 39.6-151.5 -84.7 126.6 75.7 56.5 13.0 10 12 A A + 0 0 0 -2,-0.5 84,-0.3 32,-0.1 2,-0.3 -0.844 29.1 169.9 -93.9 129.8 74.4 55.4 16.4 11 13 A I E -J 39 0B 4 28,-1.8 28,-2.7 -2,-0.5 2,-0.4 -0.821 30.5-117.6-135.1 176.9 75.5 57.9 19.1 12 14 A V E -Jk 38 95B 0 82,-2.0 84,-2.9 -2,-0.3 2,-0.3 -0.957 18.7-158.4-122.4 135.4 75.0 58.8 22.7 13 15 A D E -Jk 37 96B 45 24,-3.2 24,-1.7 -2,-0.4 84,-0.2 -0.824 5.1-165.4-108.5 150.3 73.7 62.1 24.1 14 16 A I E - k 0 97B 32 82,-2.4 84,-1.5 -2,-0.3 2,-0.3 -0.843 15.3-157.0-135.2 94.3 74.3 63.5 27.6 15 17 A P E - k 0 98B 60 0, 0.0 2,-0.6 0, 0.0 20,-0.3 -0.575 6.0-165.9 -77.0 131.3 71.9 66.4 28.3 16 18 A L E - k 0 99B 38 82,-3.4 84,-2.2 -2,-0.3 3,-0.3 -0.916 22.2-160.4-119.8 101.3 72.9 68.8 30.9 17 19 A Q E + 0 0 95 -2,-0.6 15,-0.3 1,-0.3 84,-0.1 -1.000 53.1 11.4-145.1 138.4 69.9 70.9 31.9 18 20 A P E S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.526 72.4 158.0-106.3 143.2 69.5 73.4 33.2 19 21 A V E - k 0 101B 14 81,-3.0 83,-0.6 -3,-0.3 4,-0.1 -0.829 45.1 -96.3-117.1 157.8 72.8 75.3 33.5 20 22 A S - 0 0 50 -2,-0.3 3,-0.4 81,-0.2 5,-0.1 -0.394 26.4-128.0 -69.2 146.4 73.6 79.0 33.9 21 23 A K S S+ 0 0 148 1,-0.3 2,-0.7 2,-0.1 3,-0.1 0.768 112.4 53.5 -65.0 -27.2 74.5 80.9 30.8 22 24 A N S > S+ 0 0 103 1,-0.2 3,-2.5 2,-0.0 4,-0.3 -0.649 79.9 177.9-107.8 67.9 77.6 82.1 32.5 23 25 A I G > S+ 0 0 48 -2,-0.7 3,-0.8 -3,-0.4 -1,-0.2 0.737 71.3 53.6 -43.8 -40.0 78.6 78.5 33.3 24 26 A F G 3 S+ 0 0 194 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.403 79.2 95.8 -83.6 5.8 82.0 79.4 35.0 25 27 A D G < S+ 0 0 125 -3,-2.5 2,-0.2 -5,-0.1 -1,-0.2 0.869 93.3 31.7 -61.5 -35.3 80.3 81.8 37.4 26 28 A V S < S- 0 0 82 -3,-0.8 3,-0.1 -4,-0.3 -6,-0.0 -0.692 79.5-124.2-118.1 174.0 80.2 79.0 39.9 27 29 A D S S+ 0 0 160 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.785 85.5 13.1 -88.1 -32.2 82.3 75.9 40.7 28 30 A S - 0 0 86 2,-0.0 -1,-0.2 -4,-0.0 -4,-0.0 -0.996 51.3-149.9-149.3 152.3 79.8 73.1 40.4 29 31 A Y - 0 0 66 -2,-0.3 2,-1.4 -3,-0.1 -6,-0.0 -0.890 13.1-159.4-123.2 98.6 76.3 72.3 39.1 30 32 A P - 0 0 127 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.642 22.8-166.2 -80.5 95.8 74.6 69.6 41.1 31 33 A L - 0 0 44 -2,-1.4 3,-0.2 1,-0.1 -12,-0.0 -0.340 32.7-113.3 -80.0 163.9 72.0 68.5 38.6 32 34 A E S S- 0 0 205 -15,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.819 95.3 -12.6 -63.7 -33.6 69.0 66.3 39.3 33 35 A R - 0 0 192 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.941 50.7-158.4-169.8 144.5 70.5 63.6 37.1 34 36 A I + 0 0 107 -2,-0.3 2,-0.3 -3,-0.2 -18,-0.1 -0.980 36.7 141.4-130.5 117.0 73.3 63.0 34.6 35 37 A A - 0 0 30 -2,-0.5 2,-0.1 -20,-0.3 -2,-0.0 -0.990 46.6-102.6-154.0 157.2 72.7 60.0 32.3 36 38 A X - 0 0 50 -2,-0.3 2,-0.3 -22,-0.1 -22,-0.2 -0.413 28.8-171.2 -81.5 158.8 73.2 58.8 28.7 37 39 A T E -J 13 0B 58 -24,-1.7 -24,-3.2 -2,-0.1 2,-0.3 -0.977 29.3-108.1-146.2 145.4 70.5 58.6 26.1 38 40 A T E +J 12 0B 13 -2,-0.3 -26,-0.2 -26,-0.2 2,-0.2 -0.615 47.4 165.2 -79.7 136.9 70.7 57.1 22.6 39 41 A G E +J 11 0B 2 -28,-2.7 -28,-1.8 -2,-0.3 4,-0.3 -0.760 18.2 93.4-138.2-174.4 70.6 59.6 19.8 40 42 A G S > S- 0 0 20 -2,-0.2 4,-2.5 -30,-0.2 5,-0.2 0.049 75.4 -93.2 100.4 145.7 71.3 59.9 16.1 41 43 A D H > S+ 0 0 30 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 122.4 51.9 -59.9 -45.9 68.8 59.6 13.3 42 44 A A H > S+ 0 0 1 -33,-0.4 4,-2.6 96,-0.4 5,-0.3 0.926 112.9 43.9 -58.6 -48.6 69.5 55.9 12.7 43 45 A I H > S+ 0 0 0 -34,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.935 113.9 50.3 -62.6 -48.4 68.9 54.9 16.3 44 46 A N H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.937 114.3 45.0 -56.4 -48.6 65.8 57.1 16.6 45 47 A E H X S+ 0 0 2 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.939 112.7 47.5 -63.0 -50.6 64.3 55.6 13.5 46 48 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.903 114.8 50.8 -57.7 -38.7 65.1 52.0 14.2 47 49 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.935 115.1 39.0 -65.3 -48.7 63.7 52.6 17.7 48 50 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.910 114.5 52.8 -70.9 -42.0 60.4 54.2 16.5 49 51 A I H <>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.2 4,-0.4 0.907 110.0 50.7 -58.4 -41.2 59.9 51.9 13.6 50 52 A S H ><5S+ 0 0 21 -4,-1.9 3,-1.4 -5,-0.3 -1,-0.2 0.924 109.6 48.8 -63.1 -45.5 60.3 48.9 15.9 51 53 A R H 3<5S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 104.5 60.7 -65.0 -28.5 57.8 50.3 18.4 52 54 A L T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.564 129.5 -93.8 -75.8 -7.5 55.3 50.9 15.5 53 55 A G T < 5S+ 0 0 59 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.483 87.4 118.3 112.7 3.5 55.4 47.1 14.8 54 56 A H < - 0 0 18 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.909 61.6-125.7-114.1 119.1 58.1 46.7 12.2 55 57 A R - 0 0 83 -2,-0.6 -51,-2.0 -54,-0.3 -52,-2.0 -0.338 36.3-171.9 -58.1 125.5 61.2 44.6 12.9 56 58 A T E -a 4 0A 0 23,-0.3 25,-3.3 -53,-0.2 2,-0.4 -0.869 20.8-154.3-127.3 156.8 64.4 46.5 12.2 57 59 A A E -ac 5 81A 0 -53,-2.7 -51,-2.9 -2,-0.3 2,-0.5 -0.988 14.0-146.9-127.5 136.5 68.1 46.0 11.9 58 60 A L E -a 6 0A 0 23,-2.2 2,-0.5 -2,-0.4 26,-0.3 -0.899 6.4-162.2-107.6 131.2 70.7 48.7 12.5 59 61 A X E +a 7 0A 2 -53,-2.6 -51,-1.7 -2,-0.5 2,-0.3 -0.959 40.0 109.1-111.4 122.7 74.0 48.8 10.6 60 62 A S E -m 85 0C 1 24,-1.4 26,-1.4 -2,-0.5 2,-0.3 -0.930 56.0-115.4-169.1-174.4 76.6 51.0 12.1 61 63 A R E +m 86 0C 31 -2,-0.3 2,-0.2 24,-0.2 26,-0.2 -0.953 30.2 172.2-147.0 124.4 80.0 50.9 14.0 62 64 A I E -m 87 0C 0 24,-2.5 26,-2.1 -2,-0.3 29,-0.1 -0.641 34.1 -90.2-121.0 178.8 80.6 52.1 17.5 63 65 A G E -m 88 0C 0 24,-0.2 2,-1.4 -2,-0.2 26,-0.2 -0.389 35.7-106.9 -88.8 170.4 83.5 51.9 19.9 64 66 A K S S+ 0 0 121 24,-0.9 2,-0.2 27,-0.6 -1,-0.1 -0.540 85.6 102.2 -91.1 64.4 84.3 49.2 22.4 65 67 A D S > S- 0 0 46 -2,-1.4 4,-2.5 1,-0.0 5,-0.2 -0.745 89.6 -82.0-138.9-174.5 83.3 51.5 25.3 66 68 A A H > S+ 0 0 78 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.848 125.4 48.0 -61.6 -37.7 80.6 52.5 27.9 67 69 A A H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 111.4 50.4 -70.6 -41.6 78.6 54.5 25.3 68 70 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 110.1 51.0 -61.4 -41.1 78.8 51.7 22.8 69 71 A Q H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 106.7 53.9 -62.5 -42.4 77.6 49.3 25.4 70 72 A F H X S+ 0 0 76 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.888 108.3 50.8 -60.2 -38.7 74.7 51.6 26.3 71 73 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.945 109.8 48.3 -64.4 -49.7 73.7 51.6 22.6 72 74 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.878 112.2 49.6 -59.1 -40.0 73.7 47.8 22.3 73 75 A D H X S+ 0 0 77 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.873 109.5 51.8 -68.4 -37.2 71.6 47.5 25.5 74 76 A H H X S+ 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.941 110.9 48.2 -63.4 -45.8 69.1 50.0 24.2 75 77 A C H X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.7 0.893 109.6 52.4 -62.0 -39.5 68.8 48.1 20.9 76 78 A R H <5S+ 0 0 132 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.889 110.4 47.8 -65.2 -37.2 68.4 44.8 22.8 77 79 A K H <5S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 114.5 45.9 -72.5 -28.9 65.6 46.3 24.9 78 80 A E H <5S- 0 0 18 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.486 112.4-120.5 -90.4 -2.8 63.9 47.7 21.8 79 81 A N T <5 + 0 0 98 -4,-0.7 2,-0.3 -3,-0.4 -23,-0.3 0.805 54.9 160.8 66.7 31.6 64.4 44.4 19.9 80 82 A I < - 0 0 7 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.676 47.8-112.5 -82.0 135.0 66.4 46.0 17.2 81 83 A D B +c 57 0A 20 -25,-3.3 -23,-2.2 -2,-0.3 3,-0.2 -0.570 36.8 179.7 -69.6 125.0 68.5 43.5 15.3 82 84 A I > + 0 0 37 -2,-0.4 3,-1.5 -25,-0.2 -1,-0.1 0.123 44.4 112.6-116.5 22.0 72.2 44.2 16.1 83 85 A Q T 3 S+ 0 0 130 1,-0.3 -1,-0.1 3,-0.0 -24,-0.1 0.860 87.5 40.4 -61.4 -35.1 74.0 41.6 14.1 84 86 A S T 3 S+ 0 0 7 -26,-0.3 -24,-1.4 -3,-0.2 2,-0.9 0.125 88.7 98.8-101.8 19.5 75.5 44.3 11.9 85 87 A L E < -m 60 0C 8 -3,-1.5 -24,-0.2 -26,-0.2 -1,-0.1 -0.778 62.4-170.7-106.3 85.3 76.2 46.8 14.6 86 88 A K E -m 61 0C 131 -26,-1.4 -24,-2.5 -2,-0.9 2,-0.3 -0.377 17.1-136.5 -81.6 156.3 79.9 46.1 15.1 87 89 A Q E -m 62 0C 67 -26,-0.2 2,-0.4 -2,-0.1 -24,-0.2 -0.856 14.6-164.6-108.8 145.6 82.2 47.4 17.9 88 90 A D E > -m 63 0C 43 -26,-2.1 3,-1.4 -2,-0.3 -24,-0.9 -0.980 15.8-158.0-135.7 119.4 85.7 48.7 17.1 89 91 A V T 3 S+ 0 0 124 -2,-0.4 -1,-0.1 1,-0.3 -26,-0.1 0.684 90.7 70.0 -68.2 -17.7 88.4 49.2 19.8 90 92 A S T 3 S+ 0 0 95 2,-0.0 2,-0.3 -27,-0.0 -1,-0.3 0.488 100.4 50.2 -79.6 -2.6 90.2 51.6 17.6 91 93 A I S < S- 0 0 14 -3,-1.4 -27,-0.6 -29,-0.1 2,-0.4 -0.907 74.0-124.7-135.7 162.7 87.5 54.3 17.9 92 94 A D - 0 0 104 21,-0.4 23,-2.1 -2,-0.3 2,-0.2 -0.894 33.0-115.9-106.1 135.2 85.4 56.1 20.4 93 95 A T - 0 0 2 -2,-0.4 -82,-0.1 21,-0.2 -26,-0.1 -0.499 44.6-101.4 -66.0 133.0 81.6 56.1 20.2 94 96 A S - 0 0 2 -84,-0.3 -82,-2.0 -2,-0.2 2,-0.5 -0.344 39.7-166.7 -60.0 134.3 80.5 59.7 19.5 95 97 A I E -k 12 0B 60 -84,-0.2 2,-0.6 -3,-0.1 -82,-0.2 -0.981 3.8-162.1-127.2 117.5 79.2 61.4 22.6 96 98 A N E -k 13 0B 37 -84,-2.9 -82,-2.4 -2,-0.5 2,-0.7 -0.887 3.7-158.7-102.4 116.5 77.3 64.7 22.3 97 99 A V E -kL 14 109B 37 12,-2.3 12,-2.5 -2,-0.6 2,-0.6 -0.846 10.2-163.1 -94.9 119.4 77.0 66.7 25.5 98 100 A G E -kL 15 108B 5 -84,-1.5 -82,-3.4 -2,-0.7 2,-0.3 -0.904 1.2-162.6-108.7 116.2 74.1 69.1 25.2 99 101 A L E -kL 16 107B 36 8,-2.0 8,-1.6 -2,-0.6 2,-0.4 -0.757 8.4-175.9 -96.9 142.8 73.9 72.0 27.5 100 102 A V E - L 0 106B 3 -84,-2.2 -81,-3.0 -2,-0.3 2,-0.2 -0.999 16.8-136.1-141.0 135.5 70.7 73.9 28.1 101 103 A T E > -k 19 0B 16 4,-2.1 2,-3.3 -2,-0.4 3,-2.3 -0.586 33.8-104.8 -90.4 154.0 70.0 77.0 30.2 102 104 A E T 3 S+ 0 0 162 -83,-0.6 -1,-0.1 1,-0.3 -82,-0.1 -0.132 121.4 49.2 -69.1 45.2 67.0 77.5 32.4 103 105 A D T 3 S- 0 0 155 -2,-3.3 -1,-0.3 2,-0.2 -3,-0.0 0.330 126.2 -86.0-157.2 -18.8 65.6 79.7 29.7 104 106 A G S < S+ 0 0 45 -3,-2.3 -2,-0.1 1,-0.3 0, 0.0 0.011 74.3 140.3 130.5 -31.9 66.0 77.8 26.5 105 107 A E - 0 0 93 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.116 31.1-166.1 -49.0 135.6 69.5 78.5 25.2 106 108 A R E +L 100 0B 113 -6,-0.2 2,-0.3 2,-0.0 -6,-0.2 -0.938 16.9 166.5-130.7 151.0 71.3 75.4 23.8 107 109 A T E -L 99 0B 78 -8,-1.6 -8,-2.0 -2,-0.3 2,-0.4 -0.974 19.5-142.7-154.9 156.3 74.8 74.4 22.8 108 110 A F E -L 98 0B 110 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.990 4.0-160.5-132.4 133.5 76.6 71.2 21.9 109 111 A V E +L 97 0B 87 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.953 29.5 179.7-108.0 123.4 80.1 69.9 22.6 110 112 A T - 0 0 86 -2,-0.5 2,-0.9 -14,-0.2 -14,-0.1 -0.783 35.4-111.4-125.7 169.8 81.0 67.1 20.2 111 113 A N > - 0 0 52 -2,-0.3 3,-2.6 1,-0.1 5,-0.1 -0.834 19.7-163.9-102.5 97.6 83.8 64.7 19.3 112 114 A R T 3 S+ 0 0 130 -2,-0.9 -1,-0.1 1,-0.3 -18,-0.0 0.687 93.8 42.5 -53.1 -19.7 85.2 65.7 15.9 113 115 A N T 3 S+ 0 0 108 -3,-0.0 -21,-0.4 3,-0.0 -1,-0.3 0.225 88.2 129.2-112.8 12.3 86.8 62.3 15.8 114 116 A G S X> S- 0 0 0 -3,-2.6 3,-1.5 1,-0.1 4,-0.7 -0.058 78.1 -91.9 -64.4 169.9 83.9 60.1 17.1 115 117 A S H >> S+ 0 0 2 -23,-2.1 4,-1.4 1,-0.3 3,-0.5 0.753 119.5 72.0 -53.0 -29.7 82.5 57.0 15.4 116 118 A L H 34 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.896 101.4 43.4 -55.5 -40.4 80.0 59.1 13.6 117 119 A W H <4 S+ 0 0 41 -3,-1.5 28,-0.4 1,-0.2 -1,-0.3 0.677 110.4 57.6 -78.4 -18.9 82.7 60.5 11.4 118 120 A K H << S+ 0 0 67 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.700 75.5 113.9 -86.3 -21.8 84.3 57.1 10.9 119 121 A L < + 0 0 3 -4,-1.4 26,-0.4 -3,-0.2 2,-0.3 -0.224 40.9 157.4 -53.1 137.0 81.3 55.3 9.5 120 122 A N > - 0 0 37 25,-0.1 3,-2.5 26,-0.1 4,-0.2 -0.922 58.5 -78.6-153.0 175.8 81.9 54.2 5.8 121 123 A I G > S+ 0 0 47 24,-0.3 3,-1.5 1,-0.3 -2,-0.1 0.700 117.9 72.8 -55.2 -20.2 80.6 51.8 3.2 122 124 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.1 -3,-0.1 0.714 88.9 58.8 -69.2 -19.2 82.7 49.1 4.8 123 125 A D G < S+ 0 0 29 -3,-2.5 2,-0.5 -64,-0.1 -1,-0.3 0.381 86.8 96.7 -90.2 4.6 80.3 48.9 7.7 124 126 A V < - 0 0 13 -3,-1.5 2,-0.9 -4,-0.2 -117,-0.0 -0.850 63.1-155.2 -98.8 123.0 77.5 48.0 5.3 125 127 A D > - 0 0 70 -2,-0.5 3,-1.3 1,-0.2 4,-0.4 -0.789 10.7-176.7-101.1 94.1 76.8 44.3 5.0 126 128 A F G > S+ 0 0 41 -2,-0.9 3,-1.6 1,-0.3 4,-0.4 0.783 75.1 72.8 -59.8 -30.4 75.2 43.7 1.6 127 129 A A G > S+ 0 0 69 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.837 96.2 52.1 -55.5 -32.7 74.7 40.0 2.2 128 130 A R G X S+ 0 0 7 -3,-1.3 3,-2.5 1,-0.2 4,-0.4 0.659 83.3 91.3 -79.7 -14.9 71.9 40.9 4.6 129 131 A F G X S+ 0 0 0 -3,-1.6 3,-1.1 -4,-0.4 -1,-0.2 0.803 78.4 60.2 -50.6 -35.7 70.1 43.2 2.1 130 132 A S G < S+ 0 0 88 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.519 93.4 69.3 -74.0 -1.2 67.9 40.3 0.8 131 133 A Q G < S+ 0 0 93 -3,-2.5 -129,-0.5 -130,-0.0 2,-0.3 0.681 98.0 51.1 -88.3 -19.1 66.5 39.9 4.3 132 134 A A < - 0 0 8 -3,-1.1 -129,-0.2 -4,-0.4 -128,-0.2 -0.761 64.0-144.5-119.4 165.0 64.5 43.1 4.4 133 135 A K S S+ 0 0 110 -130,-1.2 31,-2.3 -2,-0.3 2,-0.4 0.707 83.5 40.2 -97.2 -24.6 62.0 45.0 2.3 134 136 A L E -bd 4 164A 0 -131,-2.5 -129,-2.2 29,-0.2 2,-0.5 -0.985 60.3-154.6-137.7 136.5 63.1 48.5 2.9 135 137 A L E -bd 5 165A 0 29,-3.2 31,-3.2 -2,-0.4 2,-0.5 -0.903 10.7-168.1-106.1 128.8 66.4 50.4 3.3 136 138 A S E -bd 6 166A 2 -131,-2.9 -129,-2.7 -2,-0.5 2,-1.2 -0.960 9.5-158.2-120.4 114.6 66.5 53.6 5.3 137 139 A L E -bd 7 167A 4 29,-2.9 2,-2.5 -2,-0.5 31,-1.6 -0.775 19.3-143.3 -91.5 95.5 69.6 55.7 5.0 138 140 A A E S- 0 0 1 -131,-1.6 -96,-0.4 -2,-1.2 -129,-0.3 -0.376 71.1 -15.9 -66.7 79.0 69.3 57.6 8.2 139 141 A S E >> - 0 0 8 -2,-2.5 3,-1.2 29,-0.2 4,-0.6 0.900 61.4-131.8 87.9 100.3 70.7 60.9 6.9 140 142 A I E 34 S+ d 0 169A 4 28,-2.7 30,-1.6 -3,-0.3 7,-0.1 -0.490 99.3 20.0 -68.6 137.4 72.7 61.7 3.8 141 143 A F T 34 S+ 0 0 10 5,-0.5 32,-0.4 2,-0.3 -1,-0.2 0.123 94.8 105.0 84.9 -17.3 75.7 63.9 4.7 142 144 A N T <4 S+ 0 0 10 -3,-1.2 -2,-0.1 1,-0.3 -3,-0.1 0.955 88.2 33.2 -57.7 -53.4 75.6 62.8 8.4 143 145 A S S >< S- 0 0 3 -4,-0.6 3,-2.5 1,-0.1 -2,-0.3 -0.887 83.3-155.8-107.2 98.3 78.6 60.5 8.0 144 146 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 0.741 87.1 64.2 -42.3 -41.0 80.8 62.3 5.4 145 147 A L T 3 S+ 0 0 89 -26,-0.4 2,-1.7 -28,-0.4 -24,-0.3 0.712 86.1 76.8 -64.1 -18.6 82.7 59.2 4.2 146 148 A L S < S+ 0 0 15 -3,-2.5 -5,-0.5 -27,-0.2 -1,-0.3 -0.470 77.0 158.0 -88.2 62.7 79.3 57.9 3.0 147 149 A D > - 0 0 81 -2,-1.7 4,-2.9 -7,-0.1 5,-0.3 -0.049 58.9 -74.3 -78.2-175.9 79.6 60.2 -0.0 148 150 A G H > S+ 0 0 9 32,-0.4 4,-2.7 1,-0.2 5,-0.2 0.863 130.1 48.8 -48.2 -49.5 77.8 60.0 -3.4 149 151 A K H > S+ 0 0 172 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 113.7 47.1 -62.3 -42.0 80.0 57.2 -4.8 150 152 A A H > S+ 0 0 11 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.950 113.9 47.3 -63.7 -48.8 79.5 55.1 -1.6 151 153 A L H X S+ 0 0 2 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.880 107.9 56.2 -61.4 -38.4 75.7 55.8 -1.6 152 154 A T H X S+ 0 0 16 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.914 112.3 42.7 -60.3 -40.2 75.4 54.9 -5.3 153 155 A E H X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 114.6 49.2 -71.7 -44.9 77.0 51.6 -4.5 154 156 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.967 115.9 43.6 -57.6 -51.6 74.9 51.0 -1.4 155 157 A F H X S+ 0 0 0 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.832 110.2 55.9 -64.0 -34.0 71.8 51.9 -3.3 156 158 A T H X S+ 0 0 53 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.922 109.3 46.7 -64.8 -41.6 72.8 49.8 -6.3 157 159 A Q H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 111.6 52.3 -67.4 -33.4 73.2 46.8 -4.1 158 160 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 -2,-0.2 0.888 105.7 54.1 -69.2 -42.4 69.8 47.5 -2.4 159 161 A K H ><5S+ 0 0 68 -4,-2.4 3,-1.4 3,-0.2 2,-0.4 0.735 95.6 67.4 -66.5 -26.1 68.0 47.7 -5.8 160 162 A A T 3<5S+ 0 0 52 -4,-1.1 3,-0.4 1,-0.3 0, 0.0 -0.823 105.1 41.3 -82.4 144.6 69.2 44.3 -6.9 161 163 A R T 3 5S- 0 0 77 -2,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.515 121.1-111.7 91.5 -5.4 67.1 42.5 -4.2 162 164 A Q T < 5 + 0 0 151 -3,-1.4 -3,-0.2 1,-0.1 -1,-0.2 0.684 56.3 168.3 52.3 29.4 64.3 45.0 -5.0 163 165 A X < - 0 0 2 -5,-2.2 2,-0.4 -3,-0.4 -29,-0.2 -0.348 39.1-116.7 -72.1 158.2 64.3 47.0 -1.7 164 166 A I E -d 134 0A 55 -31,-2.3 -29,-3.2 24,-0.0 2,-0.5 -0.769 32.8-140.2 -88.3 138.0 62.4 50.2 -1.3 165 167 A I E +d 135 0A 0 -2,-0.4 25,-2.1 22,-0.2 24,-1.8 -0.916 23.8 176.2-111.9 123.6 64.9 53.0 -0.7 166 168 A C E +de 136 190A 1 -31,-3.2 -29,-2.9 -2,-0.5 2,-0.3 -0.933 3.0 176.9-121.9 144.1 64.3 55.8 1.8 167 169 A A E -de 137 191A 1 23,-2.1 25,-2.6 -2,-0.4 2,-0.2 -0.992 15.0-165.4-152.0 140.8 66.6 58.6 2.9 168 170 A D E - e 0 192A 10 -31,-1.6 -28,-2.7 -2,-0.3 2,-0.3 -0.593 20.3-147.3-109.8 176.4 66.6 61.6 5.1 169 171 A X E -d 140 0A 12 23,-0.6 2,-0.3 -30,-0.3 -28,-0.2 -0.960 12.4-162.5-145.4 161.9 69.2 64.4 5.0 170 172 A I - 0 0 30 -30,-1.6 3,-0.1 -2,-0.3 -28,-0.0 -0.807 49.8 -71.3-133.0 173.8 71.0 66.9 7.2 171 173 A K - 0 0 111 -2,-0.3 27,-0.1 1,-0.1 26,-0.0 -0.503 64.3 -97.7 -68.8 136.0 73.0 70.1 6.3 172 174 A P - 0 0 39 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.226 29.6-158.2 -53.5 141.8 76.2 69.1 4.6 173 175 A R S S+ 0 0 99 -32,-0.4 -31,-0.1 1,-0.1 -2,-0.0 0.776 86.5 40.2 -93.5 -30.6 79.2 69.1 7.0 174 176 A L S S- 0 0 90 -33,-0.1 -1,-0.1 -30,-0.0 -33,-0.0 -0.172 119.9 -90.9-114.7 40.3 82.0 69.5 4.4 175 177 A N S S+ 0 0 160 -3,-0.2 -2,-0.0 1,-0.2 0, 0.0 0.613 70.0 161.7 66.3 13.5 80.6 71.9 1.9 176 178 A E - 0 0 37 -35,-0.1 2,-0.2 1,-0.1 -1,-0.2 -0.213 22.9-151.1 -61.6 158.6 79.1 69.2 -0.3 177 179 A T > - 0 0 68 1,-0.0 3,-1.1 25,-0.0 4,-0.4 -0.763 34.4 -93.9-125.4 173.7 76.4 70.3 -2.8 178 180 A L G >> S+ 0 0 26 23,-0.5 3,-1.4 1,-0.3 4,-0.8 0.828 122.7 66.3 -56.0 -32.0 73.4 68.6 -4.5 179 181 A D G >4 S+ 0 0 139 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.888 90.8 61.2 -54.2 -45.5 75.8 67.8 -7.3 180 182 A D G <4 S+ 0 0 85 -3,-1.1 -32,-0.4 1,-0.2 -1,-0.3 0.624 118.3 27.0 -60.9 -15.4 77.8 65.5 -5.1 181 183 A I G <> S+ 0 0 4 -3,-1.4 4,-2.8 -4,-0.4 -1,-0.2 0.335 84.8 106.0-131.0 7.1 74.8 63.2 -4.5 182 184 A a H 4 S+ 0 0 117 -4,-0.5 3,-0.6 1,-0.2 4,-0.3 0.929 112.6 48.6 -65.9 -42.3 73.6 60.3 -9.0 184 186 A A H >4 S+ 0 0 2 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.898 106.8 58.6 -62.9 -38.5 73.0 58.6 -5.6 185 187 A L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.773 87.7 73.6 -62.9 -27.0 69.6 60.3 -5.4 186 188 A S T << S+ 0 0 44 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.697 96.1 52.5 -63.0 -14.5 68.4 58.8 -8.7 187 189 A Y T < S+ 0 0 69 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.3 0.543 86.7 108.3 -94.7 -10.4 68.0 55.5 -6.8 188 190 A V < - 0 0 0 -3,-1.8 32,-2.4 -4,-0.3 33,-0.2 -0.540 43.6-174.8 -78.2 130.2 65.9 56.9 -4.0 189 191 A D S S+ 0 0 28 -24,-1.8 32,-1.6 -2,-0.3 2,-0.4 0.864 79.3 20.3 -86.1 -43.6 62.2 56.1 -3.8 190 192 A Y E -ef 166 221A 33 -25,-2.1 -23,-2.1 30,-0.2 2,-0.4 -0.968 67.1-172.4-134.3 117.8 61.3 58.4 -0.9 191 193 A L E -ef 167 222A 0 30,-2.3 32,-3.1 -2,-0.4 -23,-0.2 -0.915 7.0-161.8-108.8 134.2 63.4 61.4 0.1 192 194 A F E +e 168 0A 2 -25,-2.6 -23,-0.6 -2,-0.4 32,-0.2 -0.579 17.8 175.6-116.5 70.2 62.5 63.3 3.3 193 195 A P - 0 0 2 0, 0.0 32,-2.5 0, 0.0 2,-0.4 -0.280 31.3-122.6 -71.9 160.3 64.1 66.7 3.2 194 196 A N B > -g 225 0A 57 30,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.862 25.6-124.6 -98.7 136.3 63.6 69.3 5.9 195 197 A F H > S+ 0 0 52 30,-2.2 4,-2.5 -2,-0.4 5,-0.2 0.907 104.9 44.0 -48.4 -57.3 62.2 72.5 4.3 196 198 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 118.5 43.6 -58.9 -43.4 64.8 75.0 5.6 197 199 A E H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 113.3 51.1 -71.5 -36.9 67.8 72.7 4.8 198 200 A A H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 6,-0.3 0.877 109.5 52.0 -66.5 -37.0 66.4 71.7 1.4 199 201 A K H X S+ 0 0 72 -4,-2.5 4,-2.0 -5,-0.3 5,-0.3 0.937 111.4 45.9 -63.4 -46.0 65.9 75.4 0.6 200 202 A L H < S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.858 116.2 47.5 -65.2 -34.4 69.6 76.1 1.6 201 203 A L H < S+ 0 0 33 -4,-2.1 -23,-0.5 1,-0.2 -2,-0.2 0.877 119.7 33.7 -76.6 -40.8 70.7 73.1 -0.5 202 204 A T H < S- 0 0 19 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.688 94.6-133.7 -89.7 -20.6 68.8 73.6 -3.7 203 205 A G < + 0 0 62 -4,-2.0 2,-0.2 -5,-0.3 -3,-0.1 0.579 66.1 123.2 77.6 7.3 68.9 77.4 -3.6 204 206 A K - 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0 0 6 -5,-1.7 -1,-0.3 1,-0.1 -30,-0.2 -0.428 36.1-148.1 -63.0 138.3 64.1 60.7 -6.8 220 222 A K S S+ 0 0 95 -32,-2.4 16,-0.5 1,-0.3 2,-0.4 0.944 76.2 12.2 -76.5 -48.6 60.7 59.1 -7.2 221 223 A T E -f 190 0A 1 -32,-1.6 -30,-2.3 -33,-0.2 2,-0.5 -0.998 64.9-157.5-134.5 131.5 58.8 60.8 -4.3 222 224 A V E -fH 191 234A 0 12,-2.7 12,-2.4 -2,-0.4 2,-0.6 -0.933 5.9-172.7-111.1 127.8 59.8 63.9 -2.3 223 225 A V E - H 0 233A 0 -32,-3.1 2,-0.5 -2,-0.5 10,-0.2 -0.882 8.9-165.8-122.3 96.2 58.3 64.4 1.1 224 226 A I E - H 0 232A 0 8,-3.0 8,-3.0 -2,-0.6 2,-0.5 -0.731 15.0-137.0 -87.4 125.8 59.3 67.8 2.4 225 227 A K E -gH 194 231A 17 -32,-2.5 -30,-2.2 -2,-0.5 6,-0.2 -0.706 21.0-179.1 -83.4 125.1 58.7 68.3 6.1 226 228 A T > - 0 0 25 4,-2.2 3,-2.6 -2,-0.5 5,-0.2 -0.146 27.1-142.5-116.5 35.7 57.3 71.8 6.8 227 229 A G G > S+ 0 0 58 1,-0.3 3,-2.5 3,-0.2 -1,-0.3 -0.127 84.8 19.5 46.4-117.6 57.0 71.5 10.6 228 230 A K G 3 S+ 0 0 161 1,-0.3 16,-0.4 -3,-0.1 -1,-0.3 0.720 126.4 56.4 -53.5 -26.2 53.9 73.2 11.8 229 231 A D G < S- 0 0 124 -3,-2.6 2,-0.7 1,-0.2 -1,-0.3 0.379 106.0-129.6 -91.5 5.9 52.3 73.0 8.3 230 232 A G < - 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0 0 0 -3,-1.6 32,-2.3 -4,-0.4 3,-0.2 -0.524 44.3-174.5 -77.7 132.9 58.0 13.2 -4.1 502 191 B D S S+ 0 0 26 -24,-2.1 32,-2.4 1,-0.3 2,-0.4 0.860 78.6 22.7 -88.2 -44.5 54.3 12.4 -4.0 503 192 B Y E -rs 479 534D 40 -25,-2.0 -23,-2.3 30,-0.2 2,-0.4 -0.980 66.7-172.8-131.3 121.3 53.5 14.6 -0.9 504 193 B L E -rs 480 535D 0 30,-2.5 32,-3.3 -2,-0.4 -23,-0.2 -0.923 6.2-164.2-112.4 135.6 55.5 17.6 0.2 505 194 B F E +r 481 0D 3 -25,-2.4 -23,-0.7 -2,-0.4 32,-0.2 -0.603 17.4 173.9-119.4 70.2 54.7 19.3 3.5 506 195 B P - 0 0 1 0, 0.0 32,-2.2 0, 0.0 2,-0.4 -0.398 33.0-120.0 -77.2 156.2 56.4 22.7 3.5 507 196 B N B > -t 538 0D 58 30,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.764 25.4-124.9 -89.6 140.6 55.9 25.3 6.2 508 197 B F H > S+ 0 0 56 30,-1.9 4,-2.2 -2,-0.4 5,-0.2 0.942 105.4 43.5 -51.9 -60.8 54.5 28.5 4.9 509 198 B A H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 118.0 45.4 -53.2 -49.6 57.1 31.0 6.2 510 199 B E H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 110.0 54.8 -66.7 -31.0 60.0 28.7 5.3 511 200 B A H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.892 104.7 54.9 -70.1 -36.5 58.6 28.0 1.8 512 201 B K H X S+ 0 0 58 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.920 110.3 45.5 -60.8 -44.2 58.4 31.8 1.1 513 202 B L H < S+ 0 0 128 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.948 116.3 45.7 -64.1 -48.6 62.1 32.1 1.9 514 203 B L H < S+ 0 0 32 -4,-2.2 -23,-0.5 1,-0.2 -2,-0.2 0.911 123.8 31.1 -61.7 -49.5 63.1 29.1 -0.2 515 204 B T H < S- 0 0 21 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.768 97.3-132.6 -81.9 -28.9 61.0 29.8 -3.3 516 205 B G < + 0 0 60 -4,-2.2 2,-0.2 -5,-0.5 -3,-0.2 0.646 63.7 126.8 83.4 15.0 61.1 33.6 -3.0 517 206 B K - 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