==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-01 1INJ . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.RICHARD,M.E.BOWMAN,W.KWIATKOWSKI,I.KANG,C.CHOW,A.LILLO,D . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 5 A H 0 0 99 0, 0.0 85,-0.2 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0 -54.9 29.1 -18.3 11.4 2 6 A L + 0 0 87 84,-0.1 2,-0.3 83,-0.1 108,-0.1 0.503 360.0 115.4 -66.0 -6.7 31.6 -15.3 11.1 3 7 A D - 0 0 88 34,-0.1 84,-0.8 35,-0.1 83,-0.6 -0.494 46.4-170.8 -69.9 130.2 30.9 -14.1 14.7 4 8 A V E -ab 37 87A 2 32,-2.3 34,-2.2 -2,-0.3 35,-1.0 -0.967 14.9-157.3-127.0 139.6 34.0 -14.4 16.9 5 9 A C E -ab 39 88A 3 82,-1.8 84,-2.1 -2,-0.4 2,-0.3 -0.946 14.8-148.7-113.1 134.8 34.5 -13.9 20.6 6 10 A A E -ab 40 89A 0 33,-3.6 35,-3.2 -2,-0.4 2,-0.4 -0.754 6.0-159.9-103.3 148.8 38.0 -13.1 22.0 7 11 A V E -ab 41 90A 0 82,-2.6 84,-2.1 -2,-0.3 35,-0.2 -0.998 4.1-170.3-128.0 130.1 39.3 -14.2 25.4 8 12 A V E -a 42 0A 0 33,-2.9 35,-2.4 -2,-0.4 2,-0.9 -0.947 14.8-148.1-124.0 109.3 42.2 -12.4 27.0 9 13 A P E +a 43 0A 14 0, 0.0 84,-0.7 0, 0.0 35,-0.1 -0.681 33.2 156.8 -78.1 108.6 43.7 -14.1 30.1 10 14 A A E a 44 0A 3 33,-2.4 35,-0.6 -2,-0.9 57,-0.1 -0.159 360.0 360.0-125.6 38.4 44.8 -11.1 32.2 11 15 A A 0 0 58 33,-0.3 33,-0.1 60,-0.1 -1,-0.1 -0.480 360.0 360.0-111.7 360.0 44.8 -12.6 35.7 12 ! 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 13 27 A K > 0 0 124 0, 0.0 3,-1.7 0, 0.0 10,-0.3 0.000 360.0 360.0 360.0 -37.8 53.2 -5.9 32.8 14 28 A Q T 3 + 0 0 29 1,-0.3 10,-2.4 9,-0.1 11,-0.3 0.740 360.0 52.1 -61.8 -22.6 49.8 -5.6 31.2 15 29 A Y T 3 S+ 0 0 38 8,-0.2 -1,-0.3 7,-0.2 2,-0.1 0.451 82.8 106.0 -96.0 -0.1 49.3 -2.4 33.1 16 30 A L < - 0 0 77 -3,-1.7 7,-2.5 6,-0.1 2,-0.3 -0.415 69.3-125.8 -70.5 156.9 52.5 -0.7 32.1 17 31 A S B -G 22 0B 61 5,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.817 26.2-172.4-116.8 154.5 51.8 2.0 29.5 18 32 A I S S- 0 0 11 3,-2.8 3,-0.0 -2,-0.3 -2,-0.0 -0.812 84.3 -10.7-139.9 91.4 53.1 3.0 26.1 19 33 A G S S- 0 0 56 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.886 125.3 -54.4 86.1 42.1 51.8 6.4 24.9 20 34 A N S S+ 0 0 157 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.523 122.5 95.9 70.0 5.8 49.1 7.1 27.6 21 35 A Q S S- 0 0 52 -3,-0.0 -3,-2.8 3,-0.0 -1,-0.2 -0.987 77.0-119.4-127.3 136.4 47.5 3.8 26.8 22 36 A T B > -G 17 0B 13 -2,-0.4 4,-2.4 -5,-0.2 -5,-0.3 -0.328 23.1-115.4 -73.1 156.8 48.1 0.6 28.8 23 37 A I H > S+ 0 0 0 -7,-2.5 4,-2.8 -10,-0.3 -8,-0.2 0.903 118.1 56.2 -57.1 -41.6 49.5 -2.5 27.2 24 38 A L H > S+ 0 0 0 -10,-2.4 4,-2.9 -8,-0.3 -1,-0.2 0.922 108.1 47.7 -57.2 -44.4 46.3 -4.3 27.9 25 39 A E H > S+ 0 0 17 -11,-0.3 4,-2.9 2,-0.2 5,-0.2 0.913 110.4 50.2 -65.1 -42.2 44.4 -1.6 26.0 26 40 A H H X S+ 0 0 32 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.929 114.3 48.2 -59.3 -43.3 46.8 -1.7 23.0 27 41 A S H X S+ 0 0 0 -4,-2.8 4,-1.2 66,-0.3 3,-0.2 0.950 114.7 41.8 -59.9 -54.5 46.3 -5.5 23.1 28 42 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.3 0.877 110.9 56.5 -65.3 -39.5 42.5 -5.5 23.3 29 43 A H H X S+ 0 0 74 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.2 0.836 101.4 57.8 -64.7 -29.7 42.1 -2.7 20.8 30 44 A A H < S+ 0 0 12 -4,-1.4 4,-0.5 -3,-0.2 -1,-0.2 0.894 109.3 45.6 -66.0 -37.7 44.0 -4.7 18.2 31 45 A L H >< S+ 0 0 0 -4,-1.2 3,-1.3 -3,-0.3 6,-0.3 0.935 110.6 51.9 -69.3 -46.3 41.4 -7.5 18.5 32 46 A L H 3< S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.641 93.5 76.0 -67.6 -13.1 38.4 -5.1 18.4 33 47 A A T 3< S+ 0 0 57 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.823 79.8 80.3 -67.9 -30.7 39.8 -3.6 15.2 34 48 A H S X S- 0 0 30 -3,-1.3 3,-1.6 -4,-0.5 66,-0.0 -0.664 81.7-136.8 -81.2 128.8 38.7 -6.6 13.2 35 49 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.769 99.3 61.9 -52.0 -34.0 35.0 -6.6 12.3 36 50 A R T 3 S+ 0 0 28 -33,-0.1 -32,-2.3 1,-0.1 2,-1.1 0.742 79.6 91.4 -70.1 -23.5 34.5 -10.2 13.1 37 51 A V E < +a 4 0A 3 -3,-1.6 -32,-0.2 -6,-0.3 3,-0.1 -0.633 46.5 165.4 -77.0 103.8 35.4 -9.7 16.8 38 52 A K E + 0 0 96 -34,-2.2 2,-0.3 -2,-1.1 -1,-0.2 0.594 62.8 20.5 -93.2 -16.4 32.0 -9.0 18.4 39 53 A R E -a 5 0A 88 -35,-1.0 -33,-3.6 -3,-0.1 2,-0.4 -0.994 54.9-159.1-156.5 146.6 33.1 -9.5 21.9 40 54 A V E -ac 6 62A 0 21,-2.4 23,-2.4 -2,-0.3 2,-0.6 -0.991 10.2-161.5-129.2 121.6 36.2 -9.6 24.1 41 55 A V E -ac 7 63A 0 -35,-3.2 -33,-2.9 -2,-0.4 2,-0.5 -0.922 8.8-163.4-103.7 120.6 36.1 -11.4 27.5 42 56 A I E -ac 8 64A 0 21,-2.6 23,-2.2 -2,-0.6 2,-0.6 -0.926 5.3-153.2-109.0 123.2 38.9 -10.3 29.8 43 57 A A E -ac 9 65A 0 -35,-2.4 -33,-2.4 -2,-0.5 2,-0.3 -0.863 19.9-178.9 -97.5 120.2 39.7 -12.5 32.7 44 58 A I E -ac 10 66A 16 21,-2.7 23,-3.1 -2,-0.6 -33,-0.3 -0.853 32.1 -99.9-119.5 156.8 41.2 -10.6 35.6 45 59 A S > - 0 0 53 -35,-0.6 3,-2.0 -2,-0.3 2,-0.1 -0.412 46.8-100.6 -71.0 145.7 42.5 -11.7 39.0 46 60 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.479 113.5 31.1 -65.9 137.8 40.1 -11.1 41.9 47 61 A G T 3 S+ 0 0 80 1,-0.3 2,-1.0 -2,-0.1 -2,-0.1 0.283 80.0 141.0 97.0 -12.5 41.2 -8.0 43.7 48 62 A D < + 0 0 34 -3,-2.0 4,-0.4 1,-0.2 -1,-0.3 -0.549 22.0 173.6 -66.9 102.9 42.5 -6.5 40.5 49 63 A S + 0 0 93 -2,-1.0 4,-0.2 1,-0.1 -1,-0.2 0.346 61.5 71.8 -96.9 5.5 41.5 -2.9 41.1 50 64 A R S > S+ 0 0 161 2,-0.1 3,-1.5 1,-0.1 -1,-0.1 0.879 86.6 60.9 -87.0 -41.8 43.2 -1.4 38.1 51 65 A F G > S+ 0 0 6 1,-0.3 3,-2.6 2,-0.2 6,-0.4 0.895 96.8 59.2 -50.8 -50.4 41.0 -2.7 35.3 52 66 A A G 3 S+ 0 0 59 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.707 100.4 58.4 -55.1 -22.7 37.9 -1.0 36.5 53 67 A Q G < S+ 0 0 162 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.303 92.5 89.2 -92.1 9.2 39.6 2.4 36.1 54 68 A L S X S- 0 0 24 -3,-2.6 3,-1.4 1,-0.1 4,-0.2 -0.695 87.0-118.3-102.8 157.7 40.2 1.7 32.4 55 69 A P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.767 109.9 72.5 -65.0 -24.0 37.9 2.7 29.6 56 70 A L G > S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 6,-0.1 0.758 82.0 73.2 -61.4 -24.5 37.6 -1.0 28.7 57 71 A A G < S+ 0 0 37 -3,-1.4 -1,-0.3 -6,-0.4 7,-0.1 0.729 105.4 33.5 -64.0 -24.6 35.5 -1.4 31.8 58 72 A N G < S+ 0 0 145 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.194 85.4 127.2-117.8 16.2 32.5 0.3 30.2 59 73 A H X - 0 0 53 -3,-1.1 3,-1.6 -4,-0.2 -3,-0.0 -0.565 59.2-137.1 -75.2 131.6 32.9 -0.8 26.6 60 74 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.746 103.2 47.3 -62.1 -22.2 29.8 -2.4 25.2 61 75 A Q T 3 S+ 0 0 80 -22,-0.1 -21,-2.4 -24,-0.0 2,-0.5 0.368 97.9 86.5-100.6 5.2 31.7 -5.2 23.6 62 76 A I E < -c 40 0A 18 -3,-1.6 2,-0.4 -23,-0.2 -21,-0.2 -0.916 52.1-174.6-113.7 130.2 33.9 -6.0 26.6 63 77 A T E -c 41 0A 43 -23,-2.4 -21,-2.6 -2,-0.5 2,-0.4 -0.964 12.2-150.4-119.7 134.8 32.9 -8.4 29.4 64 78 A V E +c 42 0A 70 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.883 19.0 170.5-109.9 139.8 35.0 -8.9 32.5 65 79 A V E -c 43 0A 30 -23,-2.2 -21,-2.7 -2,-0.4 2,-0.4 -0.946 40.1 -93.8-140.2 159.2 35.2 -12.1 34.5 66 80 A D E -c 44 0A 109 -2,-0.3 -21,-0.2 -23,-0.2 -23,-0.1 -0.624 42.1-151.3 -77.6 130.6 37.4 -13.5 37.3 67 81 A G - 0 0 15 -23,-3.1 2,-0.1 -2,-0.4 -23,-0.1 -0.028 11.0-121.0 -85.5-165.9 40.3 -15.5 36.1 68 82 A G - 0 0 24 2,-0.4 -1,-0.1 3,-0.1 6,-0.1 -0.439 28.9 -86.9-125.1-161.7 42.1 -18.3 37.9 69 83 A D S S+ 0 0 150 -2,-0.1 2,-0.2 -24,-0.0 3,-0.0 0.850 107.9 42.2 -79.4 -37.9 45.5 -19.5 39.2 70 84 A E S > S- 0 0 125 1,-0.1 4,-1.8 0, 0.0 -2,-0.4 -0.691 87.4-114.2-108.3 162.6 46.7 -21.0 35.9 71 85 A R H > S+ 0 0 77 -2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.948 117.8 51.1 -59.9 -50.3 46.4 -19.7 32.3 72 86 A A H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.837 106.7 57.5 -56.4 -34.4 44.1 -22.5 31.2 73 87 A D H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 107.7 44.9 -62.5 -47.0 42.0 -21.7 34.2 74 88 A S H X S+ 0 0 4 -4,-1.8 4,-2.0 -3,-0.2 -2,-0.2 0.855 112.2 52.3 -67.5 -35.1 41.5 -18.1 33.1 75 89 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.904 108.0 50.8 -68.5 -39.1 40.8 -19.1 29.6 76 90 A L H X S+ 0 0 30 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.909 109.4 51.3 -63.5 -40.6 38.1 -21.6 30.7 77 91 A A H >X S+ 0 0 25 -4,-1.9 4,-0.5 1,-0.2 3,-0.5 0.901 109.7 50.7 -62.3 -40.3 36.5 -18.8 32.8 78 92 A G H >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.909 103.7 58.0 -63.8 -42.3 36.5 -16.6 29.7 79 93 A L H >< S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.752 95.7 65.4 -59.9 -25.5 34.9 -19.3 27.5 80 94 A K H << S+ 0 0 176 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.2 0.751 106.9 40.7 -69.9 -23.5 31.9 -19.4 29.9 81 95 A A T << S+ 0 0 25 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.157 86.2 101.5-108.6 17.7 31.0 -15.8 29.0 82 96 A A S X S- 0 0 2 -3,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.315 72.1-152.2 -83.8 8.3 31.7 -16.3 25.3 83 97 A G T 3 - 0 0 42 -3,-0.2 -1,-0.3 1,-0.2 -78,-0.0 -0.211 57.2 -33.0 56.3-142.4 28.0 -16.7 24.5 84 98 A D T 3 S+ 0 0 141 -3,-0.1 -1,-0.2 73,-0.0 73,-0.1 0.152 87.8 149.8 -98.5 19.4 27.2 -18.8 21.5 85 99 A A < - 0 0 11 -3,-1.7 -81,-0.1 1,-0.1 72,-0.1 -0.264 37.2-155.7 -54.3 133.0 30.3 -17.9 19.6 86 100 A Q S S+ 0 0 115 -83,-0.6 71,-1.8 -85,-0.2 2,-0.4 0.758 78.4 37.4 -83.0 -27.7 31.4 -20.7 17.3 87 101 A W E S-bD 4 156A 17 -84,-0.8 -82,-1.8 69,-0.3 2,-0.4 -0.984 70.3-158.4-129.1 139.4 35.0 -19.6 17.1 88 102 A V E -bD 5 155A 0 67,-2.9 67,-2.2 -2,-0.4 2,-0.6 -0.933 6.0-153.9-121.4 141.1 37.2 -18.1 19.9 89 103 A L E -bD 6 154A 0 -84,-2.1 -82,-2.6 -2,-0.4 2,-0.6 -0.953 11.4-162.1-114.1 111.2 40.4 -16.0 19.6 90 104 A V E +bD 7 153A 0 63,-3.1 63,-1.9 -2,-0.6 2,-0.4 -0.856 15.3 177.6 -98.7 124.4 42.7 -16.3 22.6 91 105 A H - 0 0 0 -84,-2.1 2,-0.1 -2,-0.6 -2,-0.0 -0.984 31.4-108.8-132.4 138.6 45.2 -13.5 22.9 92 106 A D > - 0 0 8 -2,-0.4 3,-1.2 -84,-0.1 -82,-0.1 -0.328 18.4-138.5 -61.4 136.7 48.0 -12.6 25.4 93 107 A A T 3 S+ 0 0 7 -84,-0.7 -66,-0.3 1,-0.3 -65,-0.1 0.806 102.9 53.0 -65.5 -28.2 47.3 -9.5 27.6 94 108 A A T 3 S+ 0 0 7 1,-0.1 106,-2.8 -67,-0.1 -1,-0.3 0.002 82.6 92.3 -99.6 27.0 50.9 -8.5 27.1 95 109 A R X + 0 0 23 -3,-1.2 3,-0.6 104,-0.2 104,-0.2 -0.730 39.6 156.1-120.9 80.3 51.2 -8.6 23.3 96 110 A P T 3 + 0 0 3 0, 0.0 -1,-0.1 0, 0.0 103,-0.1 0.477 59.0 72.8 -83.3 -4.6 50.3 -5.0 22.2 97 111 A C T 3 + 0 0 2 101,-0.5 99,-0.1 99,-0.1 102,-0.1 0.315 61.3 139.2 -96.5 9.8 52.1 -5.1 18.8 98 112 A L < - 0 0 11 -3,-0.6 2,-0.3 100,-0.1 -3,-0.0 -0.270 42.7-142.7 -55.9 133.0 49.7 -7.4 17.0 99 113 A H > - 0 0 58 1,-0.1 4,-2.2 95,-0.1 3,-0.2 -0.769 13.2-127.0-103.1 147.4 49.1 -6.2 13.4 100 114 A Q H > S+ 0 0 72 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.787 106.1 57.5 -60.8 -33.7 45.8 -6.3 11.5 101 115 A D H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 109.5 44.5 -66.6 -43.4 47.1 -8.2 8.5 102 116 A D H > S+ 0 0 8 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.940 114.1 50.6 -63.4 -46.1 48.3 -11.1 10.7 103 117 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.929 109.9 50.0 -57.8 -45.8 45.0 -11.1 12.6 104 118 A A H X S+ 0 0 43 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.876 110.6 49.0 -62.1 -38.6 43.0 -11.2 9.3 105 119 A R H < S+ 0 0 113 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.846 110.2 52.5 -70.6 -31.9 45.0 -14.1 8.0 106 120 A L H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.943 106.3 52.5 -67.6 -46.5 44.6 -16.0 11.2 107 121 A L H >< S+ 0 0 2 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.737 92.4 74.5 -62.7 -22.2 40.8 -15.5 11.1 108 122 A A G >< S+ 0 0 51 -4,-1.0 3,-2.0 1,-0.3 4,-0.4 0.737 76.5 81.4 -63.1 -20.4 40.6 -16.9 7.6 109 123 A L G X> S+ 0 0 15 -3,-1.9 4,-1.7 -4,-0.3 3,-1.1 0.760 75.0 70.7 -57.7 -26.1 41.2 -20.4 9.2 110 124 A S G <4 S+ 0 0 11 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.705 99.4 49.1 -66.5 -15.1 37.5 -20.7 10.1 111 125 A E G <4 S+ 0 0 105 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.550 124.0 27.3 -98.4 -9.9 36.7 -21.1 6.4 112 126 A T T <4 S+ 0 0 116 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.2 0.342 115.5 55.1-132.2 4.2 39.4 -23.8 5.7 113 127 A S < - 0 0 24 -4,-1.7 -1,-0.1 -5,-0.1 4,-0.1 -0.988 43.2-167.3-143.1 151.2 39.9 -25.6 9.0 114 128 A R S S+ 0 0 226 -2,-0.3 -1,-0.1 2,-0.1 -4,-0.1 0.305 96.7 47.0-113.7 3.5 37.9 -27.5 11.6 115 129 A T S S- 0 0 32 1,-0.2 2,-0.2 -6,-0.1 -5,-0.1 0.675 96.5-143.4-113.4 -31.9 40.8 -27.5 14.1 116 130 A G - 0 0 0 -7,-0.2 73,-2.6 39,-0.2 2,-0.3 -0.556 13.5-138.1 97.3-164.6 41.9 -23.9 14.0 117 131 A G E -Ef 154 189A 0 37,-2.3 37,-2.9 71,-0.3 2,-0.3 -0.965 3.6-114.0-175.6-173.6 45.5 -22.5 14.3 118 132 A I E -Ef 153 190A 10 71,-2.4 73,-2.9 -2,-0.3 2,-0.3 -0.932 28.5-101.2-141.6 162.3 47.9 -19.9 15.7 119 133 A L E + f 0 191A 0 33,-1.8 31,-2.7 -2,-0.3 2,-0.3 -0.684 49.7 168.4 -82.2 137.9 50.2 -17.1 14.7 120 134 A A E -Ef 149 192A 0 71,-2.0 73,-2.7 -2,-0.3 29,-0.2 -0.989 29.7-138.9-150.1 156.0 53.8 -18.2 14.6 121 135 A A E -E 148 0A 8 27,-1.9 27,-3.5 -2,-0.3 73,-0.1 -0.962 31.0-113.1-119.9 133.5 57.2 -17.0 13.4 122 136 A P E -E 147 0A 26 0, 0.0 2,-0.3 0, 0.0 25,-0.2 -0.348 35.8-105.9 -64.7 143.4 59.7 -19.3 11.7 123 137 A V + 0 0 7 23,-2.4 23,-0.2 20,-0.4 22,-0.1 -0.535 40.1 173.2 -71.9 132.1 62.9 -19.9 13.6 124 138 A R + 0 0 167 -2,-0.3 -1,-0.2 2,-0.1 19,-0.1 0.829 51.7 74.5-103.3 -54.4 65.9 -18.1 12.2 125 139 A D S S- 0 0 116 1,-0.1 2,-0.3 18,-0.0 -2,-0.0 -0.110 91.4 -99.1 -61.1 157.6 68.8 -18.6 14.6 126 140 A T - 0 0 94 16,-0.0 2,-0.4 14,-0.0 -1,-0.1 -0.646 44.7-141.8 -76.9 133.9 70.7 -21.9 14.8 127 141 A M E -H 141 0C 66 14,-0.7 14,-2.2 -2,-0.3 2,-0.4 -0.809 13.9-161.9-105.6 143.6 69.3 -23.8 17.8 128 142 A K E -H 140 0C 112 -2,-0.4 2,-0.6 12,-0.3 12,-0.2 -0.952 11.4-145.3-123.1 141.8 71.2 -25.9 20.3 129 143 A R E -H 139 0C 149 10,-3.0 9,-2.9 -2,-0.4 10,-1.4 -0.925 24.1-139.1-104.0 124.3 69.9 -28.5 22.7 130 144 A A E -H 137 0C 51 -2,-0.6 7,-0.2 7,-0.3 5,-0.1 -0.450 24.3 -99.9 -81.1 156.5 71.9 -28.5 26.0 131 145 A E > - 0 0 76 5,-3.1 3,-2.1 3,-0.3 5,-0.3 -0.530 54.2 -84.9 -74.7 143.1 72.9 -31.7 27.7 132 146 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 111.7 6.7 -52.7 115.4 70.6 -32.6 30.7 133 147 A G T 3 S+ 0 0 90 1,-0.1 2,-0.3 -2,-0.1 -2,-0.0 0.331 120.1 59.9 96.6 -7.4 71.8 -30.8 33.8 134 148 A K S < S- 0 0 129 -3,-2.1 2,-1.1 2,-0.2 -3,-0.3 -0.971 83.3-104.0-151.7 166.5 74.5 -28.6 32.4 135 149 A N S S+ 0 0 174 -2,-0.3 2,-0.4 -5,-0.1 -5,-0.0 -0.278 76.9 115.9 -85.5 49.1 75.4 -25.8 29.9 136 150 A A S S- 0 0 34 -2,-1.1 -5,-3.1 -5,-0.3 2,-0.5 -0.938 71.6-110.1-117.9 141.3 77.1 -28.1 27.4 137 151 A I E -H 130 0C 107 -2,-0.4 -7,-0.3 -7,-0.2 3,-0.1 -0.584 28.2-177.5 -74.6 120.0 75.8 -28.5 23.8 138 152 A A E - 0 0 42 -9,-2.9 2,-0.3 -2,-0.5 -8,-0.2 0.925 64.9 -46.8 -78.9 -49.9 74.3 -32.0 23.3 139 153 A H E -H 129 0C 104 -10,-1.4 -10,-3.0 2,-0.0 2,-0.4 -0.969 62.2 -81.5-171.2 172.8 73.6 -31.3 19.6 140 154 A T E -H 128 0C 71 -2,-0.3 2,-0.6 -12,-0.2 -12,-0.3 -0.753 38.2-135.2 -91.5 135.0 72.1 -28.8 17.1 141 155 A V E -H 127 0C 34 -14,-2.2 -14,-0.7 -2,-0.4 2,-0.1 -0.816 26.6-112.9 -93.0 121.9 68.3 -28.8 16.8 142 156 A D - 0 0 117 -2,-0.6 -1,-0.0 1,-0.2 -16,-0.0 -0.328 25.0-162.2 -53.9 117.2 67.1 -28.7 13.1 143 157 A R > + 0 0 120 -2,-0.1 3,-1.8 -19,-0.1 2,-0.5 0.552 57.8 109.4 -81.7 -7.1 65.5 -25.3 12.8 144 158 A N T 3 S+ 0 0 138 1,-0.3 3,-0.1 -22,-0.1 -20,-0.0 -0.579 92.4 9.2 -72.2 119.6 63.7 -26.3 9.6 145 159 A G T 3 S+ 0 0 63 -2,-0.5 2,-0.5 1,-0.3 -1,-0.3 0.589 101.0 127.3 86.1 10.4 60.0 -26.7 10.5 146 160 A L < - 0 0 65 -3,-1.8 -23,-2.4 -23,-0.2 -1,-0.3 -0.876 37.7-174.3-103.5 132.6 60.6 -25.1 13.9 147 161 A W E - E 0 122A 87 -2,-0.5 2,-0.6 -25,-0.2 -3,-0.0 -0.938 29.4-124.3-131.7 150.6 58.3 -22.2 14.8 148 162 A H E - E 0 121A 90 -27,-3.5 -27,-1.9 -2,-0.3 2,-0.3 -0.825 35.2-132.0 -88.2 120.1 57.9 -19.7 17.6 149 163 A A E + E 0 120A 51 -2,-0.6 -29,-0.2 -29,-0.2 2,-0.2 -0.571 35.8 168.7 -75.1 131.7 54.4 -20.0 18.9 150 164 A L E - 0 0 17 -31,-2.7 -31,-0.2 -2,-0.3 48,-0.1 -0.527 23.7 -71.6-125.2-166.9 52.7 -16.6 19.2 151 165 A T E S+ 0 0 6 46,-0.2 2,-0.2 -2,-0.2 -60,-0.2 -0.954 83.9 68.7-140.3 160.9 49.1 -15.4 19.8 152 166 A P E - 0 0 0 0, 0.0 -33,-1.8 0, 0.0 2,-0.4 0.385 60.4-165.9 -60.2 161.2 46.3 -15.0 18.9 153 167 A Q E -DE 90 118A 1 -63,-1.9 -63,-3.1 -35,-0.2 2,-0.5 -0.998 6.8-156.8-125.4 123.7 45.4 -18.7 18.8 154 168 A F E +DE 89 117A 0 -37,-2.9 -37,-2.3 -2,-0.4 -65,-0.2 -0.919 23.8 149.2-113.9 115.1 42.1 -19.3 17.0 155 169 A F E -D 88 0A 0 -67,-2.2 -67,-2.9 -2,-0.5 -39,-0.2 -0.937 54.6 -81.9-142.7 163.0 40.0 -22.4 17.6 156 170 A P E > -D 87 0A 23 0, 0.0 4,-2.3 0, 0.0 -69,-0.3 -0.482 49.0-126.8 -62.5 135.8 36.4 -23.6 17.5 157 171 A R H > S+ 0 0 51 -71,-1.8 4,-2.4 1,-0.2 5,-0.1 0.921 102.3 40.5 -52.2 -57.8 34.9 -22.6 20.9 158 172 A E H > S+ 0 0 121 -72,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.898 113.9 53.8 -65.3 -37.3 33.6 -25.9 22.2 159 173 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 109.9 48.1 -61.9 -43.0 36.6 -27.9 21.0 160 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.928 111.6 51.2 -62.2 -44.2 38.9 -25.5 22.8 161 175 A H H X S+ 0 0 69 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.941 113.2 43.9 -57.5 -50.4 36.8 -25.9 25.9 162 176 A D H X S+ 0 0 89 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.900 113.3 50.3 -64.8 -41.3 36.8 -29.7 25.8 163 177 A C H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 114.7 42.1 -65.3 -42.6 40.5 -30.0 25.0 164 178 A L H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.826 113.5 53.9 -74.8 -29.2 41.7 -27.7 27.8 165 179 A T H X S+ 0 0 60 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.928 114.6 40.4 -68.6 -43.8 39.2 -29.3 30.2 166 180 A R H X S+ 0 0 144 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.910 111.6 55.7 -71.1 -43.4 40.5 -32.8 29.4 167 181 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 -1,-0.2 0.889 112.0 44.4 -56.1 -41.9 44.2 -31.8 29.4 168 182 A L H ><5S+ 0 0 63 -4,-1.7 3,-1.6 3,-0.2 -1,-0.2 0.900 110.0 53.6 -70.4 -43.2 43.8 -30.3 32.9 169 183 A N H 3<5S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 111.4 46.7 -60.9 -35.7 41.8 -33.2 34.3 170 184 A E T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.271 114.4-118.2 -90.9 11.5 44.5 -35.7 33.1 171 185 A G T < 5 + 0 0 65 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.886 51.1 172.3 54.4 45.5 47.3 -33.5 34.5 172 186 A A < - 0 0 21 -5,-2.9 2,-1.0 -6,-0.1 -1,-0.2 -0.510 42.8-102.5 -84.7 153.7 48.9 -32.8 31.2 173 187 A T - 0 0 139 -2,-0.2 2,-0.4 6,-0.0 -1,-0.1 -0.664 47.3-171.5 -77.8 104.9 51.8 -30.3 30.7 174 188 A I + 0 0 43 -2,-1.0 -102,-0.1 1,-0.2 3,-0.1 -0.857 23.5 157.3-106.3 133.0 50.0 -27.3 29.1 175 189 A T + 0 0 103 1,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.662 68.0 0.9-110.8 -82.4 51.8 -24.3 27.7 176 190 A D S > S- 0 0 29 1,-0.1 4,-0.6 -105,-0.0 -1,-0.5 -0.424 82.0 -95.7-102.6 179.8 49.6 -22.5 25.1 177 191 A E H >> S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 3,-1.3 0.877 122.8 60.1 -63.5 -36.6 46.1 -23.2 23.9 178 192 A A H >> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.929 97.0 59.7 -57.8 -43.4 47.5 -25.1 20.9 179 193 A S H 3> S+ 0 0 13 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.733 100.5 56.5 -59.0 -22.3 49.3 -27.5 23.3 180 194 A A H S+ 0 0 0 -4,-1.3 5,-2.6 -3,-0.6 3,-0.5 0.913 111.9 53.6 -66.8 -41.8 44.6 -29.4 21.3 182 196 A E H ><5S+ 0 0 108 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.898 103.4 56.2 -59.0 -43.2 47.8 -31.3 20.6 183 197 A Y H 3<5S+ 0 0 96 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.813 106.2 51.4 -59.5 -32.4 47.4 -33.3 23.8 184 198 A C T 3<5S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.192 130.2 -92.4 -91.4 14.3 44.0 -34.5 22.6 185 199 A G T < 5S+ 0 0 52 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.531 83.6 130.3 90.8 7.3 45.4 -35.6 19.2 186 200 A F < - 0 0 68 -5,-2.6 -1,-0.3 -6,-0.1 -2,-0.0 -0.562 45.2-152.5 -94.8 159.6 44.8 -32.5 17.2 187 201 A H - 0 0 151 -2,-0.2 -71,-0.1 -71,-0.0 -72,-0.1 -0.733 17.0-156.0-132.9 83.8 47.2 -30.6 14.9 188 202 A P - 0 0 22 0, 0.0 -71,-0.3 0, 0.0 2,-0.1 -0.155 25.3-101.8 -57.9 151.2 46.4 -26.9 14.6 189 203 A Q E -f 117 0A 108 -73,-2.6 -71,-2.4 1,-0.0 2,-0.6 -0.391 23.7-132.1 -76.7 151.5 47.6 -24.9 11.6 190 204 A L E -f 118 0A 84 -73,-0.2 2,-0.6 -2,-0.1 -71,-0.2 -0.929 19.7-169.9-105.6 118.1 50.6 -22.5 11.7 191 205 A V E -f 119 0A 15 -73,-2.9 -71,-2.0 -2,-0.6 2,-0.1 -0.949 26.8-122.5-110.7 114.4 49.9 -19.1 10.2 192 206 A E E +f 120 0A 83 -2,-0.6 2,-0.3 -73,-0.2 -71,-0.2 -0.323 38.4 176.1 -60.7 130.7 53.0 -17.1 9.7 193 207 A G - 0 0 6 -73,-2.7 2,-0.1 -2,-0.1 -1,-0.0 -0.816 36.9 -72.9-130.3 170.2 53.0 -13.8 11.5 194 208 A R > - 0 0 108 -2,-0.3 3,-1.2 1,-0.1 -95,-0.1 -0.365 30.8-138.4 -65.7 140.5 55.4 -10.9 12.2 195 209 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.1 -74,-0.1 0.640 97.5 74.8 -73.4 -14.2 58.2 -11.5 14.6 196 210 A D T 3 + 0 0 10 1,-0.2 2,-2.0 -99,-0.1 -1,-0.3 0.447 65.6 101.8 -78.7 2.0 57.7 -8.0 16.1 197 211 A N < + 0 0 2 -3,-1.2 -46,-0.2 -101,-0.1 2,-0.2 -0.553 60.6 166.4 -84.7 73.0 54.6 -9.4 17.8 198 212 A I - 0 0 31 -2,-2.0 2,-0.5 7,-0.1 -101,-0.5 -0.498 37.9-125.2 -93.3 160.9 56.4 -9.7 21.1 199 213 A K - 0 0 86 -2,-0.2 2,-0.9 -104,-0.2 3,-0.3 -0.916 22.5-130.0-106.6 124.1 55.1 -10.3 24.7 200 214 A V + 0 0 1 -106,-2.8 -105,-0.0 -2,-0.5 -177,-0.0 -0.632 56.0 133.2 -76.2 108.1 56.2 -7.7 27.3 201 215 A T + 0 0 54 -2,-0.9 -1,-0.2 1,-0.2 -187,-0.0 0.632 58.1 49.8-124.1 -37.0 57.6 -9.8 30.2 202 216 A R S >> S- 0 0 158 -3,-0.3 3,-1.3 1,-0.1 4,-0.7 -0.729 88.9-105.9-107.9 158.8 60.9 -8.2 31.1 203 217 A P H >> S+ 0 0 115 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.862 119.6 52.0 -46.5 -46.6 61.7 -4.5 31.9 204 218 A E H 3> S+ 0 0 125 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.766 94.7 72.9 -65.7 -26.4 63.5 -4.0 28.5 205 219 A D H <> S+ 0 0 25 -3,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.808 88.4 61.3 -59.5 -31.3 60.5 -5.4 26.6 206 220 A L H