==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-SEP-10 3OUK . COMPND 2 MOLECULE: PROBABLE CONSERVED TRANSMEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.L.GEE,T.ALBER . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 1 0 1 0 0 0 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 17 A Q 0 0 226 0, 0.0 2,-0.8 0, 0.0 83,-0.0 0.000 360.0 360.0 360.0 102.2 57.7 16.5 16.6 2 18 A L + 0 0 32 3,-0.0 6,-0.0 4,-0.0 3,-0.0 -0.712 360.0 127.3 -94.6 108.1 57.4 19.9 18.4 3 19 A V > - 0 0 81 -2,-0.8 3,-2.4 14,-0.0 12,-0.3 -0.983 65.3 -67.7-151.9 156.5 59.2 20.1 21.7 4 20 A P T 3 S+ 0 0 82 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.122 120.5 26.4 -42.0 138.8 61.8 22.4 23.5 5 21 A G T 3 S+ 0 0 48 10,-3.1 2,-0.2 1,-0.3 11,-0.1 0.218 87.7 133.0 89.0 -15.2 65.2 22.1 21.9 6 22 A A < - 0 0 21 -3,-2.4 9,-3.7 8,-0.1 2,-0.3 -0.506 53.5-134.6 -68.8 134.2 63.8 21.1 18.5 7 23 A R E -A 14 0A 125 7,-0.3 2,-0.4 -2,-0.2 7,-0.3 -0.744 27.4-162.2 -86.9 139.9 65.3 23.0 15.5 8 24 A I E >> +A 13 0A 20 5,-2.2 5,-2.2 -2,-0.3 4,-1.5 -0.960 52.2 18.7-132.7 145.1 62.7 24.3 13.0 9 25 A A T >45S- 0 0 27 -2,-0.4 3,-1.0 2,-0.2 -1,-0.2 0.998 143.2 -28.1 68.0 67.0 62.5 25.5 9.4 10 26 A N T 345S- 0 0 182 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.879 119.0 -66.4 57.5 34.8 65.8 24.1 8.1 11 27 A G T 345S+ 0 0 25 2,-0.1 -1,-0.2 -4,-0.1 -2,-0.2 0.736 102.9 127.5 61.2 29.5 66.9 24.5 11.7 12 28 A R T <<5 + 0 0 76 -4,-1.5 21,-2.2 -3,-1.0 22,-0.7 0.803 68.7 50.2 -82.1 -26.9 66.8 28.2 11.9 13 29 A Y E < -AB 8 32A 8 -5,-2.2 -5,-2.2 19,-0.2 2,-0.6 -0.940 67.2-159.0-119.9 114.4 64.6 28.2 15.0 14 30 A R E -AB 7 31A 89 17,-2.1 17,-3.1 -2,-0.6 -7,-0.3 -0.836 30.9-121.8 -87.1 122.9 65.3 26.2 18.1 15 31 A L E + B 0 30A 1 -9,-3.7 -10,-3.1 -2,-0.6 15,-0.2 -0.443 37.1 172.0 -61.4 136.2 62.1 25.8 20.0 16 32 A L E + 0 0 56 13,-2.0 2,-0.4 1,-0.3 14,-0.2 0.761 55.6 1.4-107.7 -69.6 62.4 27.2 23.6 17 33 A I E - B 0 29A 84 12,-2.1 12,-2.7 -13,-0.1 2,-0.6 -0.981 59.0-132.2-135.0 134.0 59.1 27.3 25.4 18 34 A F E - B 0 28A 84 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.743 18.9-177.1 -85.9 123.6 55.6 26.3 24.6 19 35 A H - 0 0 32 8,-2.3 2,-0.2 -2,-0.6 9,-0.2 0.101 42.1-112.8-109.0 22.0 53.0 29.0 25.4 20 36 A G - 0 0 1 7,-0.5 7,-3.2 1,-0.1 -1,-0.3 -0.596 36.2-166.9 103.9-152.0 49.9 27.1 24.4 21 37 A G - 0 0 4 -2,-0.2 166,-1.5 5,-0.2 5,-0.1 -0.480 29.9 -89.8 137.9 155.4 47.3 27.4 21.8 22 38 A V S > S- 0 0 35 164,-0.2 3,-2.4 -2,-0.2 164,-0.1 -0.865 71.5 -73.4 -89.7 126.5 43.9 26.6 20.2 23 39 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 22,-0.1 -0.369 121.2 25.6 -58.2 143.4 44.2 23.7 17.9 24 40 A P T 3 S+ 0 0 32 0, 0.0 23,-0.3 0, 0.0 24,-0.1 -0.997 116.8 78.2 -83.0 2.9 45.4 23.4 15.2 25 41 A L < - 0 0 6 -3,-2.4 2,-0.4 20,-0.1 19,-0.2 -0.282 54.7-167.6 -78.6 152.7 47.5 26.3 16.4 26 42 A Q E - C 0 43A 42 17,-1.2 17,-1.7 -5,-0.1 2,-0.6 -0.996 10.5-149.9-136.6 134.0 50.5 26.3 18.6 27 43 A F E + C 0 42A 0 -7,-3.2 -8,-2.3 -2,-0.4 -7,-0.5 -0.910 25.1 172.8-104.5 123.1 52.2 29.3 20.2 28 44 A W E -BC 18 41A 5 13,-2.6 13,-1.3 -2,-0.6 2,-0.5 -0.958 29.5-145.3-128.0 150.5 55.9 28.9 20.8 29 45 A Q E +BC 17 40A 22 -12,-2.7 -12,-2.1 -2,-0.3 -13,-2.0 -0.971 38.9 165.6-105.3 126.7 58.7 31.1 21.9 30 46 A A E -BC 15 39A 0 9,-2.3 9,-2.7 -2,-0.5 2,-0.5 -0.915 35.7-104.4-141.7 170.6 61.9 30.2 20.1 31 47 A L E -BC 14 38A 39 -17,-3.1 -17,-2.1 -2,-0.3 2,-1.5 -0.830 18.9-137.6-102.8 130.6 65.4 31.3 19.2 32 48 A D E >>> -BC 13 37A 0 5,-3.4 4,-2.1 -2,-0.5 3,-0.9 -0.685 21.0-173.7 -81.6 88.0 66.4 32.6 15.8 33 49 A T T 345S+ 0 0 38 -21,-2.2 -1,-0.2 -2,-1.5 -20,-0.1 0.643 80.4 59.3 -60.3 -17.5 69.7 30.7 15.6 34 50 A A T 345S+ 0 0 59 -22,-0.7 -1,-0.3 1,-0.1 -21,-0.1 0.874 123.2 17.5 -79.3 -38.8 70.5 32.6 12.4 35 51 A L T <45S- 0 0 94 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.1 0.419 96.1-122.4-113.9 1.1 70.3 36.0 14.0 36 52 A D T <5S+ 0 0 134 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.962 74.9 121.5 41.6 57.2 70.6 35.3 17.7 37 53 A R E < -C 32 0A 84 -5,-0.9 -5,-3.4 -7,-0.0 2,-0.3 -0.904 61.7-119.9-131.9 162.2 67.3 37.1 18.2 38 54 A Q E -C 31 0A 81 -2,-0.3 54,-0.9 -7,-0.2 2,-0.3 -0.738 31.2-177.9-105.9 153.2 64.1 35.6 19.8 39 55 A V E -CD 30 91A 0 -9,-2.7 -9,-2.3 -2,-0.3 2,-0.7 -0.941 31.7-115.9-145.3 163.3 60.7 35.2 18.0 40 56 A A E -CD 29 90A 0 50,-2.7 50,-2.6 -2,-0.3 2,-0.4 -0.913 32.3-163.7-103.2 105.7 57.2 34.1 18.4 41 57 A L E -CD 28 89A 0 -13,-1.3 -13,-2.6 -2,-0.7 2,-0.6 -0.748 4.5-165.3 -83.8 131.0 56.5 31.2 16.1 42 58 A T E -CD 27 88A 0 46,-2.7 46,-2.8 -2,-0.4 2,-0.8 -0.938 10.2-151.3-114.6 106.8 52.8 30.4 15.4 43 59 A F E -CD 26 87A 0 -17,-1.7 -17,-1.2 -2,-0.6 44,-0.3 -0.699 9.5-165.8 -74.9 113.1 52.5 26.9 13.9 44 60 A V S S- 0 0 2 42,-1.4 -1,-0.2 -2,-0.8 43,-0.1 0.996 77.8 -2.5 -66.3 -68.3 49.3 27.3 11.8 45 61 A D + 0 0 3 41,-0.5 3,-0.5 39,-0.2 41,-0.4 -0.843 66.2 166.6-129.8 102.3 48.7 23.7 11.1 46 62 A P S S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 39,-0.1 0.789 84.6 46.7 -79.5 -32.2 51.4 21.4 12.6 47 63 A Q S S- 0 0 149 -23,-0.3 38,-0.1 37,-0.1 37,-0.0 0.246 102.1-131.0 -95.0 12.7 49.3 18.3 12.1 48 64 A G + 0 0 55 -3,-0.5 4,-0.2 1,-0.2 37,-0.1 0.768 63.0 140.7 42.6 29.1 48.3 19.3 8.5 49 65 A V + 0 0 108 2,-0.1 -1,-0.2 -25,-0.1 -4,-0.0 0.593 40.6 94.1 -74.7 -12.6 44.8 18.5 9.7 50 66 A L S S- 0 0 40 1,-0.1 2,-0.6 -26,-0.1 -5,-0.0 -0.555 91.8-102.2 -84.1 145.8 43.4 21.4 7.7 51 67 A P >> - 0 0 74 0, 0.0 3,-1.5 0, 0.0 4,-1.0 -0.600 36.4-128.4 -57.9 110.8 42.0 21.3 4.2 52 68 A D T 34 S+ 0 0 127 -2,-0.6 4,-0.5 1,-0.3 -2,-0.0 0.617 110.8 61.8 -46.3 -14.4 45.1 22.7 2.3 53 69 A D T >> S+ 0 0 129 2,-0.2 3,-1.2 3,-0.1 4,-1.2 0.972 104.4 45.9 -68.5 -58.5 42.5 25.1 0.8 54 70 A V H <> S+ 0 0 36 -3,-1.5 4,-2.0 1,-0.3 3,-0.3 0.892 103.1 60.6 -48.7 -60.0 41.7 26.5 4.3 55 71 A L H 3X S+ 0 0 20 -4,-1.0 4,-1.9 1,-0.2 -1,-0.3 0.772 102.2 57.0 -41.1 -32.8 45.2 26.9 5.5 56 72 A Q H <> S+ 0 0 91 -3,-1.2 4,-1.9 -4,-0.5 -1,-0.2 0.979 105.1 49.1 -65.4 -54.0 45.6 29.3 2.5 57 73 A E H X S+ 0 0 99 -4,-1.2 4,-2.4 -3,-0.3 3,-0.3 0.915 112.2 48.5 -49.2 -54.6 42.7 31.5 3.7 58 74 A T H >X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 3,-0.6 0.979 112.0 47.5 -47.6 -67.3 44.1 31.7 7.2 59 75 A L H 3X S+ 0 0 17 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.747 113.5 50.1 -49.0 -28.8 47.6 32.6 6.1 60 76 A S H 3X S+ 0 0 70 -4,-1.9 4,-1.0 -3,-0.3 -1,-0.2 0.870 110.4 46.2 -82.8 -40.1 46.2 35.3 3.7 61 77 A R H X S+ 0 0 3 -4,-2.7 3,-0.7 93,-0.3 4,-0.7 0.857 100.7 58.1 -64.7 -38.5 46.9 36.9 8.7 63 79 A L H >X S+ 0 0 79 -4,-1.2 3,-1.0 1,-0.3 4,-0.6 0.834 96.4 64.0 -67.5 -30.3 49.2 38.6 6.2 64 80 A R H >X S+ 0 0 101 -4,-1.0 3,-1.5 -3,-0.3 4,-0.6 0.892 94.5 60.9 -53.9 -40.9 46.8 41.4 6.1 65 81 A L H << S+ 0 0 2 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.771 90.1 69.2 -60.6 -26.9 47.6 42.0 9.8 66 82 A S H << S+ 0 0 59 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.841 88.4 66.0 -60.1 -33.3 51.2 42.6 8.9 67 83 A R H << S+ 0 0 153 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.961 83.7 89.8 -44.6 -60.6 50.1 45.9 7.2 68 84 A I < - 0 0 29 -4,-0.6 2,-0.9 -3,-0.2 5,-0.1 -0.142 59.3-163.9 -52.6 115.3 49.1 47.3 10.6 69 85 A D + 0 0 159 6,-0.1 -1,-0.1 3,-0.0 -3,-0.1 -0.450 43.8 136.5 -96.4 61.1 51.8 49.2 12.5 70 86 A K - 0 0 85 -2,-0.9 3,-0.1 3,-0.1 5,-0.1 -0.649 61.5-136.2 -98.6 161.3 50.1 49.1 15.8 71 87 A P S S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.699 102.1 73.4 -81.4 -26.5 51.6 48.3 19.2 72 88 A G S S+ 0 0 0 45,-0.5 78,-3.1 77,-0.1 2,-0.5 0.773 96.1 52.8 -55.7 -32.0 48.5 46.1 19.7 73 89 A V B S-f 150 0B 6 76,-0.2 78,-0.2 -3,-0.1 -3,-0.1 -0.941 87.6-120.7-117.6 126.1 49.9 43.5 17.3 74 90 A A - 0 0 1 76,-2.3 2,-0.1 -2,-0.5 -2,-0.1 -0.403 45.2-102.2 -57.7 128.4 53.3 41.8 17.4 75 91 A R - 0 0 167 -2,-0.1 16,-2.6 15,-0.1 2,-0.5 -0.319 30.0-126.3 -59.5 126.1 55.1 42.6 14.1 76 92 A V E +E 90 0A 15 14,-0.3 14,-0.3 1,-0.2 3,-0.1 -0.649 28.4 179.3 -78.6 120.8 55.1 39.7 11.6 77 93 A L E - 0 0 39 12,-2.6 2,-0.3 -2,-0.5 13,-0.2 0.798 58.0 -17.0 -91.0 -34.5 58.6 39.0 10.4 78 94 A D E -E 89 0A 84 11,-1.6 11,-3.1 2,-0.0 2,-0.3 -0.982 48.8-145.6-170.0 153.4 58.2 36.1 8.0 79 95 A V E +E 88 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 28.6 156.0-131.6 150.6 55.9 33.4 6.8 80 96 A V E -E 87 0A 48 7,-1.6 7,-1.6 -2,-0.3 2,-0.5 -0.993 41.4-114.9-166.1 155.8 56.9 29.9 5.6 81 97 A H E +E 86 0A 121 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.932 41.3 178.1 -99.3 127.3 56.0 26.3 5.0 82 98 A T E > -E 85 0A 22 3,-2.9 3,-1.2 -2,-0.5 -74,-0.0 -0.545 53.1 -84.3-114.3 178.2 58.0 23.9 7.1 83 99 A R T 3 S+ 0 0 264 1,-0.3 2,-0.6 -2,-0.2 3,-0.1 0.898 131.6 57.1 -46.1 -38.9 58.1 20.2 7.6 84 100 A A T 3 S- 0 0 21 1,-0.2 -1,-0.3 -37,-0.0 -39,-0.2 -0.304 115.2-110.2 -96.4 49.6 55.3 21.0 10.1 85 101 A G E < S+ E 0 82A 22 -3,-1.2 -3,-2.9 -2,-0.6 -1,-0.2 -0.252 77.5 6.7 68.6-147.6 52.9 22.8 7.7 86 102 A G E - E 0 81A 0 -41,-0.4 -42,-1.4 -5,-0.2 -41,-0.5 -0.378 65.0-174.7 -70.8 148.4 52.2 26.5 7.9 87 103 A L E -DE 43 80A 0 -7,-1.6 -7,-1.6 -44,-0.3 2,-0.5 -0.893 14.8-158.2-152.2 119.9 54.2 28.8 10.2 88 104 A V E -DE 42 79A 2 -46,-2.8 -46,-2.7 -2,-0.3 2,-0.7 -0.816 9.3-160.9 -95.2 127.0 54.0 32.5 11.2 89 105 A V E +DE 41 78A 0 -11,-3.1 -12,-2.6 -2,-0.5 -11,-1.6 -0.866 19.7 166.8-112.7 104.4 57.1 34.2 12.6 90 106 A A E -DE 40 76A 0 -50,-2.6 -50,-2.7 -2,-0.7 -14,-0.3 -0.614 41.5 -78.5-109.2 169.8 56.5 37.4 14.5 91 107 A E E -D 39 0A 78 -16,-2.6 2,-0.5 -52,-0.2 -52,-0.2 -0.242 47.4-107.7 -65.3 154.1 58.6 39.5 16.8 92 108 A W - 0 0 41 -54,-0.9 2,-0.7 -53,-0.1 -1,-0.1 -0.740 26.6-141.0 -84.0 125.4 59.2 38.5 20.4 93 109 A I - 0 0 15 -2,-0.5 2,-0.3 58,-0.1 49,-0.1 -0.758 15.1-133.6 -92.2 114.7 57.4 40.6 23.0 94 110 A R S S+ 0 0 168 -2,-0.7 50,-2.4 47,-0.1 2,-0.3 -0.463 72.6 45.2 -72.2 124.3 59.5 41.2 26.1 95 111 A G E S-G 143 0B 45 -2,-0.3 2,-0.3 48,-0.3 48,-0.2 -0.993 92.2 -56.3 147.2-141.4 57.4 40.6 29.2 96 112 A G E -G 142 0B 9 46,-1.5 46,-2.8 -2,-0.3 5,-0.0 -0.929 47.3 -95.8-139.5 166.3 55.0 37.9 30.3 97 113 A S E > -G 141 0B 16 -2,-0.3 4,-0.7 44,-0.2 44,-0.2 0.331 44.3 -97.0 -60.4-161.8 51.8 36.2 29.0 98 114 A L H >> S+ 0 0 0 42,-0.8 4,-3.1 39,-0.3 3,-0.7 0.916 124.9 51.0 -82.8 -55.3 48.3 37.0 30.0 99 115 A Q H 3> S+ 0 0 46 1,-0.2 4,-2.2 90,-0.2 3,-0.2 0.931 108.2 54.1 -35.0 -66.8 48.2 34.3 32.6 100 116 A E H 34 S+ 0 0 96 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.763 115.7 36.3 -44.4 -43.4 51.5 35.5 34.1 101 117 A V H X< S+ 0 0 38 -4,-0.7 3,-2.1 -3,-0.7 -1,-0.3 0.849 109.3 59.4 -87.4 -37.2 50.3 39.0 34.6 102 118 A A H >< S+ 0 0 0 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.895 102.2 61.5 -46.2 -39.4 46.7 38.3 35.6 103 119 A D T 3< S+ 0 0 103 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.389 91.2 64.6 -78.2 1.1 48.4 36.4 38.4 104 120 A T T < S- 0 0 92 -3,-2.1 -1,-0.3 71,-0.1 -2,-0.1 0.177 103.7-123.7-109.6 13.3 50.1 39.4 39.8 105 121 A S < - 0 0 108 -3,-1.5 -3,-0.1 70,-0.1 -2,-0.1 0.891 39.5-160.0 43.9 66.6 46.9 41.1 40.8 106 122 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.257 27.2 -80.2 -78.4 157.9 47.5 44.4 38.8 107 123 A S > - 0 0 76 1,-0.2 4,-3.3 4,-0.1 5,-0.2 -0.397 33.5-133.0 -66.3 126.5 45.8 47.8 39.3 108 124 A P H > S+ 0 0 28 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.737 110.5 50.7 -55.5 -20.0 42.4 47.9 37.7 109 125 A V H > S+ 0 0 26 2,-0.2 4,-3.0 3,-0.1 5,-0.2 0.947 109.8 46.3 -77.5 -56.2 43.5 51.2 36.3 110 126 A G H > S+ 0 0 27 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.921 111.7 56.4 -44.5 -49.0 46.8 49.9 34.9 111 127 A A H X S+ 0 0 4 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.957 114.1 34.3 -52.2 -66.1 44.8 46.9 33.5 112 128 A I H < S+ 0 0 0 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.797 117.4 57.6 -62.7 -28.7 42.4 48.9 31.5 113 129 A R H >< S+ 0 0 116 -4,-3.0 3,-1.4 2,-0.2 4,-0.4 0.979 111.6 40.2 -62.3 -54.9 45.1 51.5 30.8 114 130 A A H >< S+ 0 0 20 -4,-3.7 3,-1.9 1,-0.3 34,-1.0 0.941 106.9 64.7 -56.7 -50.3 47.4 48.8 29.2 115 131 A M T 3< S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.3 4,-0.5 0.510 81.0 80.9 -55.7 -10.4 44.5 47.1 27.4 116 132 A Q T X> S+ 0 0 44 -3,-1.4 4,-2.8 -4,-0.3 3,-1.8 0.907 81.9 63.2 -65.3 -38.9 43.9 50.1 25.3 117 133 A S H <> S+ 0 0 11 -3,-1.9 4,-2.8 -4,-0.4 -45,-0.5 0.839 102.7 51.2 -52.2 -35.4 46.7 49.1 22.9 118 134 A L H 3> S+ 0 0 0 -3,-0.5 4,-1.3 -4,-0.3 -1,-0.3 0.546 109.2 47.0 -86.0 -12.2 44.8 46.0 22.1 119 135 A A H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.5 5,-0.2 0.798 111.2 53.9 -90.6 -38.5 41.6 47.7 21.2 120 136 A A H X S+ 0 0 22 -4,-2.8 4,-2.4 2,-0.2 3,-0.4 0.979 113.1 43.4 -48.1 -64.9 43.6 50.2 19.2 121 137 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.4 0.968 114.2 49.0 -41.7 -70.3 45.1 47.2 17.3 122 138 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.751 110.9 51.5 -49.8 -30.5 41.8 45.4 17.0 123 139 A D H X S+ 0 0 39 -4,-2.5 4,-3.2 -3,-0.4 -1,-0.3 0.946 111.1 46.0 -72.6 -47.7 40.0 48.5 15.7 124 140 A A H X S+ 0 0 18 -4,-2.4 4,-1.5 -3,-0.4 -2,-0.2 0.934 112.2 51.5 -56.5 -50.5 42.6 49.1 13.0 125 141 A A H <>S+ 0 0 0 -4,-2.6 5,-0.5 -5,-0.2 3,-0.4 0.929 112.6 47.5 -51.7 -48.9 42.6 45.5 12.0 126 142 A H H ><5S+ 0 0 33 -4,-1.9 3,-3.0 -5,-0.3 -2,-0.2 0.954 107.9 51.7 -59.1 -54.6 38.8 45.8 11.7 127 143 A R H 3<5S+ 0 0 202 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.774 111.5 52.5 -52.8 -23.5 38.8 49.0 9.7 128 144 A A T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.326 124.1-105.0 -95.7 5.1 41.2 47.0 7.5 129 145 A G T < 5S+ 0 0 44 -3,-3.0 2,-0.2 1,-0.2 -3,-0.2 0.988 83.4 100.5 67.5 64.6 38.9 44.1 7.1 130 146 A V < - 0 0 6 -5,-0.5 -2,-0.2 -8,-0.1 2,-0.2 -0.816 60.3-131.2-176.2 130.9 40.5 41.4 9.3 131 147 A A - 0 0 0 -2,-0.2 -66,-0.1 28,-0.2 28,-0.1 -0.537 13.6-137.3 -85.1 154.8 40.0 40.0 12.9 132 148 A L - 0 0 0 -2,-0.2 22,-0.5 28,-0.1 3,-0.1 0.793 35.2-129.4 -78.8 -28.5 42.7 39.7 15.5 133 149 A S - 0 0 5 27,-0.3 2,-1.4 1,-0.2 3,-0.2 0.916 31.8-177.5 73.1 48.7 41.5 36.2 16.5 134 150 A I + 0 0 7 1,-0.2 33,-0.2 27,-0.1 -1,-0.2 -0.664 33.1 131.8 -75.1 90.9 41.4 36.9 20.3 135 151 A D + 0 0 59 -2,-1.4 -1,-0.2 1,-0.3 49,-0.2 0.484 58.6 28.5-126.0 -9.6 40.3 33.4 21.1 136 152 A H S > S- 0 0 2 -3,-0.2 3,-1.1 1,-0.1 4,-0.4 -0.977 75.0-117.4-160.4 137.6 42.5 32.1 24.0 137 153 A P G > S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 -39,-0.3 0.840 111.0 67.1 -49.5 -33.1 44.4 33.8 26.8 138 154 A S G 3 S+ 0 0 12 1,-0.3 13,-0.2 49,-0.2 -40,-0.1 0.844 84.0 69.4 -58.0 -45.5 47.6 32.5 25.2 139 155 A R G < S+ 0 0 1 -3,-1.1 12,-1.9 12,-0.1 13,-1.3 0.693 96.7 71.3 -37.2 -30.9 47.3 34.6 22.1 140 156 A V E < + H 0 150B 0 -3,-1.8 -42,-0.8 -4,-0.4 2,-0.3 -0.705 54.1 166.5-106.9 149.4 48.0 37.6 24.3 141 157 A R E -GH 97 149B 4 8,-1.8 8,-2.7 -2,-0.3 2,-0.4 -0.924 27.6-125.3-147.4 169.0 51.0 38.9 26.2 142 158 A V E -GH 96 148B 21 -46,-2.8 -46,-1.5 -2,-0.3 6,-0.2 -0.988 22.4-135.8-130.1 130.5 52.0 42.1 27.9 143 159 A S E >> -GH 95 147B 16 4,-2.3 3,-3.2 -2,-0.4 4,-0.7 -0.467 24.2-115.3 -91.1 153.5 55.1 44.1 27.1 144 160 A I T 34 S+ 0 0 105 -50,-2.4 -49,-0.1 1,-0.3 -1,-0.1 0.542 117.8 65.4 -60.3 -6.3 57.6 45.7 29.5 145 161 A D T 34 S- 0 0 129 -51,-0.3 -1,-0.3 2,-0.1 -50,-0.1 0.308 123.8-104.7 -97.8 6.8 56.3 48.9 28.0 146 162 A G T <4 S+ 0 0 39 -3,-3.2 2,-0.4 1,-0.2 -2,-0.2 0.965 74.1 136.2 73.4 55.5 53.0 48.2 29.5 147 163 A D E < - H 0 143B 47 -4,-0.7 -4,-2.3 -31,-0.1 2,-0.4 -0.997 52.8-132.2-137.2 136.7 51.0 47.1 26.4 148 164 A V E - H 0 142B 0 -34,-1.0 2,-0.4 -2,-0.4 -6,-0.2 -0.763 36.9-174.8 -87.0 134.7 48.6 44.3 25.7 149 165 A V E - H 0 141B 6 -8,-2.7 -8,-1.8 -2,-0.4 2,-1.4 -0.991 39.4-124.7-141.2 128.4 49.6 42.6 22.5 150 166 A L E +fH 73 140B 0 -78,-3.1 -76,-2.3 -2,-0.4 -10,-0.2 -0.630 40.1 179.2 -64.3 96.9 48.4 39.9 20.2 151 167 A A + 0 0 1 -12,-1.9 -1,-0.2 -2,-1.4 -11,-0.2 0.740 66.1 42.2 -81.8 -28.8 51.7 38.1 20.5 152 168 A Y S S- 0 0 0 -13,-1.3 -1,-0.2 -3,-0.1 2,-0.2 -0.857 81.1-162.3-123.5 93.3 50.9 35.1 18.3 153 169 A P + 0 0 0 0, 0.0 -65,-0.1 0, 0.0 -20,-0.1 -0.487 32.8 130.6 -85.1 143.2 49.1 36.2 15.2 154 170 A A - 0 0 0 -22,-0.5 2,-0.6 -2,-0.2 -95,-0.1 -0.169 39.8-148.9 176.4 85.7 47.0 34.0 12.9 155 171 A T - 0 0 0 -97,-0.2 -93,-0.3 -24,-0.1 -94,-0.3 -0.491 16.5-150.9 -69.4 112.2 43.6 35.1 11.9 156 172 A M - 0 0 23 -2,-0.6 -25,-0.2 1,-0.1 -2,-0.1 -0.322 22.0-117.4 -72.2 165.5 41.4 32.0 11.3 157 173 A P S S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.829 116.2 54.2 -77.9 -31.2 38.6 32.2 8.8 158 174 A D S S+ 0 0 125 2,-0.0 -25,-0.0 -25,-0.0 -3,-0.0 0.728 88.8 109.3 -68.5 -22.3 35.9 31.5 11.5 159 175 A A + 0 0 13 -28,-0.1 -28,-0.2 -27,-0.0 -24,-0.0 -0.280 46.5 171.5 -57.3 135.1 37.5 34.5 13.4 160 176 A N > - 0 0 56 1,-0.1 4,-0.7 -30,-0.1 -27,-0.3 -0.880 42.1-112.8-139.4 171.7 35.4 37.6 13.5 161 177 A P H > S+ 0 0 57 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.892 109.4 62.8 -74.8 -44.8 35.3 41.1 15.2 162 178 A Q H > S+ 0 0 83 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.924 110.4 44.8 -45.0 -44.6 32.3 40.7 17.4 163 179 A D H > S+ 0 0 77 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.759 104.2 61.7 -75.1 -26.4 34.4 37.9 19.0 164 180 A D H X S+ 0 0 2 -4,-0.7 4,-1.9 -3,-0.5 -1,-0.2 0.895 108.7 43.6 -62.2 -39.4 37.5 40.1 19.1 165 181 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 -3,-0.2 -2,-0.2 0.970 114.4 48.6 -69.9 -53.9 35.6 42.4 21.4 166 182 A R H X S+ 0 0 102 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.939 116.9 43.9 -46.1 -52.5 34.1 39.6 23.4 167 183 A G H X S+ 0 0 5 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.786 109.4 55.1 -68.7 -29.9 37.7 38.1 23.7 168 184 A I H X S+ 0 0 1 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.904 108.0 50.9 -68.7 -38.5 39.3 41.5 24.4 169 185 A G H >X S+ 0 0 2 -4,-2.8 4,-2.8 1,-0.2 3,-0.8 0.982 104.6 55.5 -58.5 -58.6 36.9 41.8 27.3 170 186 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.759 106.8 53.9 -43.2 -30.6 37.8 38.4 28.6 171 187 A S H 3X S+ 0 0 0 -4,-0.9 4,-0.8 -3,-0.3 -1,-0.3 0.895 109.4 44.3 -76.2 -41.2 41.3 39.7 28.6 172 188 A L H XX S+ 0 0 1 -4,-1.8 4,-2.0 -3,-0.8 3,-1.9 0.987 114.5 51.8 -61.2 -56.1 40.5 42.8 30.7 173 189 A Y H 3X>S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.3 5,-0.6 0.896 105.1 55.1 -41.2 -57.4 38.5 40.6 33.0 174 190 A A H 3<5S+ 0 0 0 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.3 0.675 109.4 47.2 -58.3 -21.0 41.3 38.1 33.4 175 191 A L H <<5S+ 0 0 5 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.2 0.923 115.4 44.2 -83.9 -50.1 43.7 40.8 34.6 176 192 A L H <5S+ 0 0 16 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.901 137.7 9.7 -52.5 -52.7 41.2 42.4 37.0 177 193 A V T <5S- 0 0 23 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.349 96.4-121.7-120.6 -1.2 39.9 39.2 38.6 178 194 A N S - 0 0 60 4,-2.7 3,-1.2 -2,-0.6 -1,-0.1 0.146 43.6 -76.2 -55.6-178.9 26.1 34.1 38.5 198 214 A T T 3 S+ 0 0 163 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.688 139.2 50.9 -54.7 -17.3 22.7 32.5 39.3 199 215 A A T 3 S- 0 0 78 2,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.702 114.7-115.3 -92.2 -25.3 22.1 33.2 35.6 200 216 A G S < S+ 0 0 34 -3,-1.2 -2,-0.1 1,-0.5 3,-0.1 -0.029 79.0 123.3 107.3 -30.0 25.2 31.6 34.2 201 217 A Q S S- 0 0 86 -5,-0.2 -4,-2.7 1,-0.1 -1,-0.5 -0.460 76.3 -99.7 -58.5 131.4 26.5 34.9 32.9 202 218 A P B -J 196 0D 27 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.051 44.8 -96.7 -50.8 163.5 29.9 35.5 34.5 203 219 A I - 0 0 43 -8,-1.4 -8,-0.1 1,-0.1 5,-0.1 -0.756 39.8-101.4 -97.5 128.6 30.0 37.7 37.5 204 220 A E > - 0 0 81 -2,-0.5 4,-1.6 1,-0.1 3,-0.3 -0.095 29.4-120.6 -45.4 131.6 31.0 41.4 37.2 205 221 A P T 4 S+ 0 0 0 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.662 111.8 46.5 -47.5 -25.9 34.6 42.2 38.2 206 222 A A T >4 S+ 0 0 23 2,-0.2 3,-1.2 1,-0.1 6,-0.2 0.843 104.3 56.9 -91.0 -37.8 33.4 44.7 40.9 207 223 A D T 34 S+ 0 0 133 -3,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.833 113.0 47.3 -53.3 -29.3 30.8 42.5 42.4 208 224 A I T 3< S+ 0 0 55 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.540 132.2 9.1 -90.6 -9.3 33.8 40.2 42.8 209 225 A D X - 0 0 64 -3,-1.2 3,-1.9 -5,-0.2 -1,-0.3 -0.610 62.5-150.9-175.3 108.5 36.1 42.9 44.3 210 226 A R T 3 S+ 0 0 234 1,-0.3 -4,-0.1 -3,-0.2 4,-0.1 0.519 90.3 69.8 -66.7 -9.9 35.1 46.3 45.4 211 227 A D T 3 S+ 0 0 127 2,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.531 76.9 95.3 -86.4 -7.7 38.4 48.1 44.7 212 228 A I S < S- 0 0 4 -3,-1.9 -3,-0.1 -7,-0.2 5,-0.1 -0.784 86.4-120.2 -83.3 107.7 37.7 47.6 41.0 213 229 A P > - 0 0 39 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.141 20.9-105.2 -47.5 159.8 36.1 51.0 39.9 214 230 A F H >> S+ 0 0 165 2,-0.2 4,-2.6 1,-0.2 3,-1.1 0.969 113.3 36.4 -51.6 -77.8 32.6 51.1 38.4 215 231 A Q H 3> S+ 0 0 47 1,-0.3 4,-3.6 2,-0.2 5,-0.2 0.884 113.4 57.6 -51.1 -53.5 33.2 51.8 34.8 216 232 A I H 3> S+ 0 0 0 1,-0.3 4,-1.4 27,-0.2 -1,-0.3 0.857 113.5 40.6 -44.8 -44.5 36.3 49.6 34.6 217 233 A S H - 0 0 41 1,-0.1 4,-2.8 -70,-0.0 5,-0.3 -0.883 58.9-141.6-157.2 125.8 32.7 48.4 18.0 233 249 A A H > S+ 0 0 2 -2,-0.3 4,-1.2 1,-0.2 -110,-0.2 0.835 109.2 65.7 -43.5 -34.6 36.4 48.2 18.9 234 250 A S H >> S+ 0 0 58 2,-0.2 4,-1.0 1,-0.1 3,-0.7 0.982 110.2 29.6 -51.1 -66.7 36.1 51.9 18.0 235 251 A T H >> S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 3,-0.9 0.956 113.8 64.0 -61.4 -53.6 33.7 52.8 20.8 236 252 A L H 3X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.749 99.4 57.0 -39.3 -31.5 35.2 50.1 23.2 237 253 A L H