==== 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 OXIDOREDUCTASE 27-JAN-95 1ENZ . COMPND 2 MOLECULE: ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.DESSEN,A.QUEMARD,J.S.BLANCHARD,W.R.JACOBS JR.,J.C.SACCHETT . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 11.6 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 . 1 0.4 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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 1 1 1 2 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 1 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 . 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 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 2 A A 0 0 142 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.3 8.4 60.5 23.2 2 3 A G > - 0 0 14 3,-0.1 3,-4.0 4,-0.0 29,-0.1 0.417 360.0-145.1 131.9 74.1 7.9 56.7 22.7 3 4 A L T 3 S+ 0 0 72 1,-0.3 244,-0.3 243,-0.1 29,-0.1 0.767 104.3 36.6 -28.1 -42.5 4.3 55.7 23.7 4 5 A L T > S+ 0 0 0 27,-1.5 3,-1.1 24,-0.2 -1,-0.3 -0.191 88.6 170.6-111.1 36.4 5.8 52.5 24.9 5 6 A D T < - 0 0 98 -3,-4.0 28,-0.2 1,-0.2 27,-0.1 -0.241 66.4 -9.8 -56.8 132.6 9.0 53.9 26.2 6 7 A G T 3 S+ 0 0 64 26,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.853 98.6 140.5 48.6 42.2 11.3 51.5 28.2 7 8 A K < - 0 0 24 -3,-1.1 27,-1.5 25,-0.4 2,-0.8 -0.866 50.9-133.3-111.5 147.2 8.5 48.9 28.4 8 9 A R B +a 34 0A 51 -2,-0.3 80,-1.7 78,-0.2 81,-1.6 -0.861 30.3 171.7-109.6 108.4 8.9 45.1 28.1 9 10 A I E -b 89 0B 2 25,-1.2 2,-0.5 -2,-0.8 27,-0.4 -0.895 20.0-152.4-115.3 137.3 6.3 43.6 25.8 10 11 A L E -b 90 0B 3 79,-1.7 81,-1.7 -2,-0.4 2,-0.5 -0.986 16.8-149.6-113.1 126.5 6.5 40.0 24.8 11 12 A V E -bc 91 37B 0 25,-2.0 27,-2.2 -2,-0.5 2,-0.2 -0.872 10.7-166.5-111.0 132.3 5.0 39.3 21.4 12 13 A S + 0 0 3 79,-1.2 2,-0.8 -2,-0.5 81,-0.2 -0.613 60.0 33.7-101.3 160.6 3.3 36.2 20.2 13 14 A G + 0 0 28 -2,-0.2 27,-0.2 1,-0.2 82,-0.1 -0.614 53.8 143.3 104.4 -81.8 2.4 35.3 16.6 14 15 A I + 0 0 1 -2,-0.8 26,-0.3 1,-0.2 -1,-0.2 0.354 11.4 147.1 -7.0 101.9 4.9 36.6 13.9 15 16 A I + 0 0 66 1,-0.5 2,-0.3 24,-0.1 -1,-0.2 0.409 69.9 0.8-121.5 -26.8 5.1 33.8 11.2 16 17 A T S > S- 0 0 27 33,-0.1 3,-0.9 34,-0.0 -1,-0.5 -0.962 81.1 -95.9-156.9 166.2 5.6 36.0 8.1 17 18 A D T 3 S+ 0 0 98 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 0.567 126.0 60.2 -65.9 -1.9 6.0 39.7 7.3 18 19 A S T 3 S+ 0 0 39 4,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.820 80.9 103.2 -91.1 -38.8 2.3 39.5 6.6 19 20 A S S <> S- 0 0 10 -3,-0.9 4,-0.9 1,-0.1 -5,-0.1 -0.099 73.5-131.9 -40.2 136.6 1.3 38.4 10.2 20 21 A I H >> S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 3,-1.1 0.898 104.7 64.1 -63.2 -45.9 -0.3 41.1 12.4 21 22 A A H >> S+ 0 0 1 1,-0.3 4,-3.0 2,-0.2 3,-0.6 0.926 99.6 56.2 -42.6 -51.2 2.0 40.3 15.3 22 23 A F H 3> S+ 0 0 17 -6,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.840 106.9 48.1 -49.9 -43.6 4.8 41.4 13.1 23 24 A H H <>S+ 0 0 0 -4,-4.1 5,-1.4 -5,-0.2 3,-1.2 0.985 108.4 44.7 -57.7 -63.8 5.8 48.7 19.1 29 30 A Q H ><5S+ 0 0 19 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.814 108.5 54.7 -51.3 -41.6 9.5 49.1 18.7 30 31 A E H 3<5S+ 0 0 114 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.786 103.5 62.1 -64.7 -25.7 9.4 52.5 17.0 31 32 A Q T <<5S- 0 0 54 -4,-1.3 -27,-1.5 -3,-1.2 -1,-0.3 0.264 127.0 -99.9 -79.3 9.8 7.4 53.4 20.0 32 33 A G T < 5S+ 0 0 26 -3,-1.9 -26,-1.5 1,-0.2 -25,-0.4 0.466 77.0 138.2 88.6 3.3 10.4 52.7 22.4 33 34 A A < - 0 0 13 -5,-1.4 2,-0.3 -28,-0.2 -1,-0.2 -0.111 46.1-140.9 -69.9 177.7 9.3 49.3 23.6 34 35 A Q B -a 8 0A 79 -27,-1.5 -25,-1.2 -29,-0.1 23,-0.1 -0.927 24.4-160.1-145.0 107.0 11.7 46.4 23.9 35 36 A L - 0 0 3 -2,-0.3 2,-0.3 21,-0.2 -25,-0.2 -0.259 19.8-162.0 -89.3-177.9 10.4 43.0 22.8 36 37 A V - 0 0 2 -27,-0.4 -25,-2.0 21,-0.2 2,-0.4 -0.907 30.7-133.6-154.7 138.5 11.2 39.4 23.4 37 38 A L E -cd 11 59B 2 21,-4.6 23,-4.6 -2,-0.3 2,-0.4 -0.841 13.3-152.1-115.4 153.0 9.7 37.1 20.9 38 39 A T E - d 0 60B 8 -27,-2.2 2,-0.3 -2,-0.4 23,-0.2 -0.898 15.6-169.9-114.3 134.3 7.9 33.9 20.8 39 40 A G E - d 0 61B 2 21,-2.5 23,-1.4 -2,-0.4 4,-0.1 -0.858 5.3-164.8-117.8 159.6 8.1 31.5 17.8 40 41 A F - 0 0 107 -2,-0.3 22,-0.3 -26,-0.3 3,-0.2 0.781 60.6 -21.7-108.7 -83.3 6.1 28.5 17.1 41 42 A D S S+ 0 0 106 1,-0.3 2,-1.3 21,-0.1 3,-0.2 0.884 124.1 43.6-103.3 -52.8 7.1 25.9 14.5 42 43 A R > + 0 0 155 1,-0.2 4,-1.8 2,-0.1 -1,-0.3 -0.765 65.9 168.5 -96.7 86.6 9.5 27.0 11.9 43 44 A L H > S+ 0 0 41 -2,-1.3 4,-3.2 -3,-0.2 -1,-0.2 0.912 70.1 55.7 -69.6 -42.3 11.8 28.9 14.2 44 45 A R H > S+ 0 0 223 1,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.871 110.5 47.5 -57.5 -39.8 14.6 29.5 11.7 45 46 A L H > S+ 0 0 42 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 111.6 47.6 -64.7 -51.0 12.2 31.1 9.4 46 47 A I H >X S+ 0 0 1 -4,-1.8 4,-3.1 1,-0.2 3,-1.0 0.955 109.7 57.6 -56.7 -46.3 10.6 33.4 12.0 47 48 A Q H 3X S+ 0 0 84 -4,-3.2 4,-1.0 1,-0.3 -1,-0.2 0.908 105.7 47.6 -45.9 -54.0 14.2 34.2 13.0 48 49 A R H 3< S+ 0 0 141 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.693 114.1 46.1 -64.6 -26.7 15.0 35.4 9.5 49 50 A I H X< S+ 0 0 13 -4,-1.5 3,-2.4 -3,-1.0 4,-0.3 0.901 103.7 62.5 -78.7 -44.1 11.9 37.6 9.3 50 51 A T H >< S+ 0 0 9 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.746 91.1 71.0 -56.1 -22.9 12.4 39.0 12.7 51 52 A D T 3< S+ 0 0 90 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.618 86.1 61.7 -71.0 -16.3 15.7 40.5 11.4 52 53 A R T < S+ 0 0 181 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.514 80.4 113.9 -87.7 -1.6 14.0 43.1 9.3 53 54 A L S < S- 0 0 12 -3,-1.5 -27,-0.1 -4,-0.3 4,-0.0 -0.392 86.5-111.6 -67.3 142.1 12.5 44.5 12.5 54 55 A P S S+ 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.688 99.5 28.1 -47.6 -16.6 13.9 47.9 13.3 55 56 A A S S- 0 0 42 -5,-0.2 -2,-0.1 2,-0.0 -26,-0.1 -1.000 86.7 -99.7-151.5 148.5 15.6 46.3 16.3 56 57 A K + 0 0 203 -2,-0.3 -21,-0.2 -4,-0.1 -5,-0.1 -0.313 40.9 175.6 -64.8 143.7 17.1 43.0 17.6 57 58 A A - 0 0 22 -23,-0.1 -21,-0.2 -4,-0.0 2,-0.1 -0.940 33.0-111.4-156.6 129.2 14.9 40.9 19.9 58 59 A P - 0 0 61 0, 0.0 -21,-4.6 0, 0.0 2,-0.4 -0.382 32.9-147.4 -64.4 136.8 15.4 37.5 21.5 59 60 A L E -d 37 0B 38 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.906 12.0-164.5-112.1 138.4 13.2 34.9 20.1 60 61 A L E -d 38 0B 20 -23,-4.6 -21,-2.5 -2,-0.4 -24,-0.0 -0.972 20.4-118.0-134.0 139.2 11.8 31.9 22.1 61 62 A E E +d 39 0B 105 -2,-0.4 -21,-0.2 -23,-0.2 2,-0.1 -0.252 39.5 158.4 -63.7 146.2 10.2 28.7 21.2 62 63 A L - 0 0 6 -23,-1.4 2,-1.0 -22,-0.3 -21,-0.1 -0.455 24.4-171.7-175.2 98.2 6.7 28.1 22.4 63 64 A D > - 0 0 37 1,-0.1 3,-3.0 -2,-0.1 7,-0.2 -0.789 25.1-144.0 -92.7 105.9 4.0 25.7 21.2 64 65 A V T 3 S+ 0 0 7 -2,-1.0 -1,-0.1 1,-0.3 64,-0.1 0.460 96.7 60.9 -53.6 8.3 1.0 26.8 23.2 65 66 A Q T 3 S+ 0 0 70 1,-0.1 2,-0.6 56,-0.0 -1,-0.3 0.385 85.7 84.9-112.9 2.7 0.0 23.2 23.3 66 67 A N X> - 0 0 59 -3,-3.0 4,-1.6 1,-0.2 3,-1.0 -0.908 62.5-155.7-113.0 112.1 3.1 21.8 25.1 67 68 A E H >> S+ 0 0 122 -2,-0.6 4,-3.9 1,-0.2 3,-0.6 0.934 90.8 56.0 -49.7 -55.2 3.1 22.0 28.9 68 69 A E H 3> S+ 0 0 144 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.788 105.2 53.7 -53.1 -27.9 6.9 22.0 29.4 69 70 A H H <4 S+ 0 0 29 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.923 115.1 40.0 -70.6 -45.4 7.2 25.1 27.2 70 71 A L H XX S+ 0 0 15 -4,-1.6 3,-1.3 -3,-0.6 4,-0.5 0.876 110.9 58.9 -70.1 -37.5 4.7 26.9 29.3 71 72 A A H 3< S+ 0 0 70 -4,-3.9 4,-0.3 1,-0.3 -1,-0.2 0.915 116.0 35.3 -55.2 -44.2 6.2 25.4 32.4 72 73 A S T 3X S+ 0 0 49 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.3 0.279 89.6 99.8 -97.0 11.7 9.4 27.0 31.5 73 74 A L H <> S+ 0 0 1 -3,-1.3 4,-2.9 1,-0.2 5,-0.2 0.981 80.8 48.4 -59.7 -61.3 8.3 30.3 29.9 74 75 A A H X S+ 0 0 24 -4,-0.5 4,-2.3 58,-0.3 5,-0.3 0.876 110.0 51.9 -48.3 -47.1 8.7 32.7 32.7 75 76 A G H >> S+ 0 0 43 -4,-0.3 4,-3.4 1,-0.2 3,-0.7 0.976 111.0 49.6 -53.2 -59.4 12.3 31.5 33.5 76 77 A R H 3X S+ 0 0 50 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.865 109.3 49.8 -47.3 -53.0 13.2 32.0 29.8 77 78 A V H 3X S+ 0 0 0 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.900 116.1 42.0 -58.4 -39.3 11.8 35.5 29.6 78 79 A T H < - 0 0 28 -4,-3.3 3,-0.5 -5,-0.3 -3,-0.2 0.597 36.7 -76.0 89.7 119.8 17.6 40.0 32.6 83 84 A A T 3 S+ 0 0 95 1,-0.2 3,-0.1 -4,-0.1 -4,-0.0 -0.003 113.0 39.6 -51.7 141.8 16.8 39.3 36.2 84 85 A G T 3 S+ 0 0 81 1,-0.4 2,-0.4 0, 0.0 -1,-0.2 0.466 101.1 102.7 93.5 8.9 15.3 42.0 38.5 85 86 A N < - 0 0 58 -3,-0.5 -1,-0.4 -7,-0.1 2,-0.3 -0.934 49.6-170.8-125.9 146.6 13.1 42.9 35.5 86 87 A K - 0 0 77 -2,-0.4 2,-0.3 -3,-0.1 -78,-0.2 -0.885 23.9-106.9-132.6 163.1 9.5 42.3 34.6 87 88 A L E - e 0 137B 2 49,-1.6 51,-1.5 -2,-0.3 -78,-0.2 -0.697 10.3-162.5 -98.3 149.4 7.3 42.8 31.6 88 89 A D E S+ 0 0 23 -80,-1.7 54,-1.4 -2,-0.3 2,-0.3 0.262 72.8 32.7-103.0 0.1 4.6 45.4 31.0 89 90 A G E -be 9 142B 0 -81,-1.6 -79,-1.7 52,-0.2 2,-0.3 -0.971 46.8-175.7-161.5 148.1 2.9 43.7 28.1 90 91 A V E -be 10 143B 1 52,-1.8 54,-1.8 -2,-0.3 2,-0.4 -0.992 13.7-160.6-143.4 137.6 2.0 40.4 26.5 91 92 A V E -be 11 144B 0 -81,-1.7 -79,-1.2 -2,-0.3 2,-0.9 -0.981 7.0-157.5-124.3 128.7 0.2 40.1 23.1 92 93 A H E + e 0 145B 1 52,-4.1 54,-1.5 -2,-0.4 2,-1.3 -0.682 24.4 160.9-107.3 81.2 -1.6 37.0 22.0 93 94 A A + 0 0 20 -2,-0.9 2,-0.4 52,-0.2 -72,-0.2 -0.425 42.4 111.7 -89.7 62.7 -1.7 37.2 18.3 94 95 A I + 0 0 32 -2,-1.3 2,-0.3 28,-0.1 52,-0.2 -0.988 24.4 124.6-144.9 149.5 -2.4 33.5 17.8 95 96 A G - 0 0 39 -2,-0.4 2,-0.2 -82,-0.1 27,-0.1 -0.935 17.9-176.4-177.7 174.3 -5.0 31.1 16.7 96 97 A F - 0 0 101 -2,-0.3 26,-0.3 22,-0.3 25,-0.2 -0.779 5.1-167.2 174.9 140.4 -5.6 28.2 14.3 97 98 A M - 0 0 15 -2,-0.2 2,-0.2 24,-0.1 18,-0.1 -0.956 31.4-106.8-141.6 147.5 -8.4 25.8 13.1 98 99 A P >> - 0 0 11 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.529 37.7-101.9 -81.1 150.5 -8.2 22.7 11.1 99 100 A Q G >4 S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 6,-0.1 0.822 117.8 58.4 -28.7 -59.8 -9.4 22.6 7.5 100 101 A T G 34 S+ 0 0 26 1,-0.3 -1,-0.3 4,-0.1 9,-0.2 0.699 102.6 46.5 -44.7 -48.2 -12.6 20.9 8.6 101 102 A G G <4 S+ 0 0 0 -3,-1.7 58,-1.1 57,-0.1 59,-0.5 0.536 119.4 43.1 -82.3 -6.6 -14.1 23.5 11.1 102 103 A M S << S+ 0 0 49 -3,-1.6 55,-0.1 -4,-0.8 54,-0.1 0.000 101.2 24.1-105.0-134.4 -13.4 26.2 8.8 103 104 A G S S- 0 0 5 1,-0.2 53,-0.2 52,-0.1 104,-0.1 0.515 111.0 -22.2 15.2-142.3 -13.9 26.4 5.0 104 105 A I S S+ 0 0 74 102,-0.9 -1,-0.2 2,-0.0 103,-0.1 0.863 99.1 106.9 -65.8 -44.4 -16.2 24.6 2.5 105 106 A N S S- 0 0 48 101,-0.2 5,-0.1 -6,-0.1 51,-0.1 -0.068 84.7-102.9 -38.1 129.0 -16.7 21.6 4.8 106 107 A P - 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0 0 15 39,-0.1 2,-2.0 -3,-0.1 39,-0.2 -0.991 28.8-117.8-127.5 136.0 -6.8 41.8 7.1 194 195 A R + 0 0 69 37,-4.2 2,-0.1 -2,-0.4 40,-0.1 -0.523 49.1 160.8 -78.5 80.2 -4.9 40.3 4.2 195 196 A T > - 0 0 39 -2,-2.0 4,-2.4 1,-0.1 3,-0.1 -0.315 54.4 -96.8 -83.9 176.6 -2.5 38.1 6.1 196 197 A L H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.998 122.7 43.6 -62.5 -71.4 -0.9 35.4 4.1 197 198 A A H > S+ 0 0 66 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.618 113.3 54.7 -52.3 -13.2 -3.1 32.5 5.1 198 199 A M H > S+ 0 0 28 2,-0.2 4,-2.2 -3,-0.1 5,-0.3 0.939 106.9 50.8 -78.6 -55.4 -6.1 34.8 4.6 199 200 A S H >X S+ 0 0 46 -4,-2.4 4,-1.0 -3,-0.2 3,-0.6 0.918 107.3 53.8 -40.8 -60.3 -4.8 35.5 1.1 200 201 A A H ><>S+ 0 0 50 -4,-2.1 3,-1.6 1,-0.2 5,-1.1 0.930 109.9 48.0 -48.6 -50.3 -4.5 31.8 0.4 201 202 A I H 3<5S+ 0 0 25 -4,-1.5 5,-0.5 1,-0.3 6,-0.3 0.837 108.0 51.7 -62.4 -32.5 -8.2 31.4 1.5 202 203 A V H <<5S+ 0 0 15 -4,-2.2 -1,-0.3 -3,-0.6 -2,-0.2 0.557 112.1 57.4 -78.2 -7.2 -9.6 34.2 -0.7 203 204 A G T <<5S- 0 0 38 -3,-1.6 3,-0.2 -4,-1.0 4,-0.2 0.148 133.6 -64.7 -90.5-141.9 -7.6 32.5 -3.5 204 205 A G T > 5S+ 0 0 54 1,-0.2 3,-1.0 2,-0.1 7,-0.2 0.740 98.6 119.6 -83.4 -18.4 -8.7 28.8 -4.0 205 206 A A T 3 - 0 0 17 -3,-1.0 4,-1.2 -6,-0.3 -1,-0.5 -0.886 50.1 -95.0 161.2 176.3 -12.8 25.9 -1.3 208 209 A E H > S+ 0 0 125 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.933 121.1 38.9 -84.8 -52.1 -14.4 28.0 -4.1 209 210 A E H > S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.954 115.2 54.0 -63.5 -49.3 -17.6 28.9 -2.4 210 211 A A H >> S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 4,-1.8 0.958 111.2 48.0 -45.2 -58.0 -15.8 29.4 0.9 211 212 A G H 3X S+ 0 0 3 -4,-1.2 4,-2.0 1,-0.3 -1,-0.2 0.806 110.1 49.3 -50.9 -44.9 -13.4 31.8 -0.9 212 213 A A H 3X S+ 0 0 44 -4,-2.2 4,-0.8 1,-0.2 -1,-0.3 0.607 107.5 57.5 -74.5 -15.8 -16.2 33.7 -2.6 213 214 A Q H S+ 0 0 105 -3,-0.4 4,-1.5 -5,-0.3 -1,-0.2 0.779 99.1 66.5 -95.2 -30.0 -16.4 44.0 0.9 220 221 A G H X S+ 0 0 25 -4,-1.9 4,-2.7 -3,-0.3 3,-0.4 0.951 100.1 60.9 -52.3 -45.5 -19.4 44.5 3.2 221 222 A W H X S+ 0 0 15 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.912 101.2 41.4 -44.3 -83.4 -16.7 46.0 5.5 222 223 A D H < S+ 0 0 87 -4,-0.7 -1,-0.2 7,-0.3 -2,-0.2 0.758 118.4 52.4 -43.1 -26.5 -15.3 49.0 3.6 223 224 A Q H < S+ 0 0 162 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.996 116.5 36.6 -68.4 -63.5 -18.8 49.8 2.6 224 225 A R H < S+ 0 0 58 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.828 94.3 93.4 -53.1 -50.7 -20.2 49.7 6.1 225 226 A A >< - 0 0 3 -4,-3.2 3,-4.4 -5,-0.2 37,-0.2 -0.352 69.8-149.1 -51.6 99.8 -17.1 51.2 7.8 226 227 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.714 103.5 34.3 -45.6 -29.6 -18.0 55.0 8.0 227 228 A I T 3 S- 0 0 151 34,-1.3 35,-0.1 1,-0.3 -2,-0.1 0.216 122.6-121.8-108.1 10.6 -14.3 55.8 7.7 228 229 A G < - 0 0 17 -3,-4.4 -1,-0.3 33,-0.4 2,-0.2 -0.130 18.5-101.6 81.5-176.5 -13.8 52.7 5.4 229 230 A W - 0 0 20 -3,-0.1 2,-1.0 -10,-0.1 -7,-0.3 -0.726 15.2-159.2-157.9 110.3 -11.6 49.6 5.7 230 231 A N > - 0 0 91 -2,-0.2 3,-1.6 1,-0.1 -39,-0.1 -0.674 4.8-164.8 -87.7 105.7 -8.3 48.7 4.0 231 232 A M T 3 S+ 0 0 29 -2,-1.0 -37,-4.2 1,-0.3 -1,-0.1 0.621 85.3 54.8 -67.4 -4.1 -7.8 45.0 4.2 232 233 A K T 3 S+ 0 0 145 -39,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.461 91.3 75.8-106.6 -2.1 -4.1 45.3 3.3 233 234 A D < + 0 0 66 -3,-1.6 4,-0.4 1,-0.1 -3,-0.1 -0.926 44.5 174.1-114.4 103.1 -2.9 47.8 6.0 234 235 A A > + 0 0 7 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 0.316 60.2 97.1 -86.5 7.6 -2.5 46.2 9.5 235 236 A T H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 78.6 50.1 -66.1 -41.8 -1.1 49.4 10.7 236 237 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.907 112.6 48.0 -67.2 -37.3 -4.3 50.8 12.2 237 238 A V H >> S+ 0 0 1 -4,-0.4 4,-1.7 1,-0.2 3,-0.8 0.968 110.8 52.7 -69.7 -35.9 -4.8 47.6 14.1 238 239 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.877 105.9 52.6 -62.4 -39.5 -1.2 47.7 15.2 239 240 A K H 3X S+ 0 0 127 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.731 105.9 54.9 -72.5 -18.6 -1.5 51.2 16.6 240 241 A T H <>S+ 0 0 34 -4,-1.2 3,-1.2 1,-0.2 5,-0.7 0.967 113.6 49.5 -65.8 -45.5 -2.6 52.3 22.6 244 245 A L H 3<5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.683 103.8 55.6 -65.5 -29.7 -3.8 49.4 24.9 245 246 A L T 3<5S+ 0 0 4 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.2 0.515 104.7 78.8 -78.7 -6.6 -0.3 48.2 25.9 246 247 A S T X 5S- 0 0 0 -3,-1.2 2,-1.3 -4,-0.3 3,-1.1 -0.647 95.4-105.2-101.2 166.2 0.1 51.9 27.0 247 248 A D T 3 5S+ 0 0 88 -244,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.089 97.6 86.3 -78.9 38.6 -1.0 53.8 30.0 248 249 A W T 3 S- 0 0 8 -2,-1.1 3,-0.9 -70,-0.2 -1,-0.2 0.442 91.0 -99.6-138.3 13.2 -12.6 48.0 12.5 261 262 A G T 3 S- 0 0 14 -3,-0.2 -34,-1.3 1,-0.2 -33,-0.4 0.549 78.3 -70.3 82.0 0.9 -13.4 51.3 10.8 262 263 A G T > S+ 0 0 21 -37,-0.2 3,-2.7 -36,-0.1 4,-0.2 0.271 96.8 133.1 99.9 -12.0 -16.8 51.3 12.5 263 264 A A G X + 0 0 1 -3,-0.9 3,-1.4 1,-0.3 -2,-0.1 0.706 64.6 60.4 -39.7 -48.1 -18.3 48.4 10.6 264 265 A H G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -39,-0.0 -3,-0.0 0.704 103.3 53.6 -60.8 -16.8 -19.7 46.6 13.6 265 266 A T G < S+ 0 0 79 -3,-2.7 2,-0.4 -41,-0.0 -1,-0.3 0.394 97.3 71.8 -99.7 -5.8 -21.9 49.6 14.4 266 267 A Q < - 0 0 93 -3,-1.4 -42,-0.1 -4,-0.2 -41,-0.1 -0.939 57.6-158.2-120.0 141.8 -23.6 50.0 11.1 267 268 A L 0 0 143 -2,-0.4 -1,-0.1 -43,-0.1 -43,-0.1 0.878 360.0 360.0 -79.6 -51.8 -26.3 47.8 9.5 268 269 A L 0 0 191 -44,-0.1 -2,-0.1 -45,-0.1 -5,-0.0 0.356 360.0 360.0-149.2 360.0 -25.9 48.8 5.9