==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAY-03 1UEK . COMPND 2 MOLECULE: 4-(CYTIDINE 5'-DIPHOSPHO)-2C-METHYL-D-ERYTHRITOL . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.WADA,S.KURAMITSU,S.YOKOYAMA,J.R.H.TAME,S.Y.PARK,RIKEN . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 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 . 16 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 1 1 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 1 1 0 2 0 0 0 0 0 0 1 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 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 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 1 A M 0 0 77 0, 0.0 40,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.5 38.9 18.8 20.5 2 2 A E E -A 40 0A 109 38,-0.2 2,-0.3 36,-0.0 38,-0.2 -0.820 360.0-179.9 -98.8 142.7 37.2 22.2 19.5 3 3 A R E -A 39 0A 65 36,-2.6 36,-2.4 -2,-0.4 2,-0.4 -0.964 20.1-143.2-134.9 158.9 34.8 23.9 21.9 4 4 A L E -A 38 0A 107 -2,-0.3 34,-0.2 34,-0.2 -2,-0.0 -0.989 8.2-160.8-120.8 132.0 32.7 27.1 21.9 5 5 A A E -A 37 0A 0 32,-2.6 32,-2.3 -2,-0.4 92,-0.2 -0.900 17.4-154.5-114.1 98.0 32.2 29.1 25.1 6 6 A P E -A 36 0A 39 0, 0.0 30,-0.2 0, 0.0 28,-0.2 -0.306 10.7-120.6 -73.2 158.5 29.2 31.4 24.7 7 7 A A E -A 33 0A 1 28,-2.0 26,-2.4 26,-1.1 2,-0.3 -0.201 22.1-144.0 -79.5 174.8 28.6 34.6 26.6 8 8 A K E -A 32 0A 13 83,-2.1 2,-0.3 24,-0.3 85,-0.1 -0.953 7.0-159.9-134.3 160.2 25.7 35.4 28.9 9 9 A V E -A 31 0A 1 22,-1.8 22,-2.7 -2,-0.3 2,-0.9 -0.933 29.7-115.3-126.1 156.1 23.6 38.5 29.7 10 10 A N E -A 30 0A 9 -2,-0.3 2,-2.3 20,-0.2 222,-0.4 -0.849 23.6-153.0 -89.8 109.2 21.4 39.1 32.8 11 11 A L E S- 0 0 0 18,-2.1 19,-0.1 -2,-0.9 220,-0.1 -0.469 76.2 -19.9 -82.3 70.3 18.0 39.3 31.3 12 12 A G E - 0 0 0 -2,-2.3 17,-1.7 218,-0.2 2,-0.3 0.111 68.7-155.1 94.9 141.8 16.8 41.5 34.1 13 13 A L E -Ab 28 200A 1 186,-2.9 188,-2.7 15,-0.2 2,-0.5 -0.869 7.6-172.0-154.4 117.3 18.4 41.8 37.6 14 14 A S E -A 27 0A 0 13,-2.9 13,-2.0 -2,-0.3 2,-0.7 -0.928 17.6-145.7-117.2 130.3 16.6 42.9 40.7 15 15 A V E -A 26 0A 0 -2,-0.5 163,-2.6 161,-0.4 11,-0.2 -0.858 18.5-173.7 -93.6 115.3 18.3 43.7 44.0 16 16 A R E - 0 0 76 9,-3.4 2,-0.3 -2,-0.7 -1,-0.2 0.879 52.1 -52.1 -84.5 -41.8 15.8 42.4 46.5 17 17 A F E -A 25 0A 94 8,-0.7 8,-2.3 160,-0.1 2,-0.5 -0.939 60.9 -78.6-178.2 172.3 17.4 43.6 49.8 18 18 A R E -A 24 0A 161 -2,-0.3 6,-0.3 6,-0.2 5,-0.0 -0.858 54.3-127.5 -91.5 129.3 20.7 43.4 51.7 19 19 A R > - 0 0 55 4,-3.8 3,-2.6 -2,-0.5 -1,-0.0 -0.240 19.3-108.4 -73.9 161.2 21.1 40.0 53.4 20 20 A E T 3 S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.835 123.8 58.0 -55.7 -32.1 21.8 39.2 57.1 21 21 A D T 3 S- 0 0 85 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.396 120.9-110.8 -77.2 1.4 25.2 38.1 55.7 22 22 A G S < S+ 0 0 24 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.419 82.7 109.6 83.5 -2.6 25.8 41.6 54.2 23 23 A Y S S- 0 0 160 -5,-0.0 -4,-3.8 1,-0.0 2,-0.5 -0.626 74.9-101.0 -94.3 167.4 25.6 40.7 50.5 24 24 A H E -A 18 0A 27 -6,-0.3 2,-0.4 -2,-0.2 -6,-0.2 -0.774 26.8-131.9 -91.2 128.9 22.7 41.7 48.3 25 25 A E E -A 17 0A 29 -8,-2.3 -9,-3.4 -2,-0.5 -8,-0.7 -0.659 32.2-166.4 -73.3 126.4 20.0 39.2 47.5 26 26 A L E -A 15 0A 7 113,-3.1 2,-0.4 -2,-0.4 113,-0.3 -0.778 25.8-162.5-113.1 157.3 19.3 39.1 43.8 27 27 A H E +A 14 0A 2 -13,-2.0 -13,-2.9 -2,-0.3 2,-0.3 -0.954 37.3 149.3-131.0 120.1 16.7 37.7 41.5 28 28 A T E -AC 13 137A 0 109,-2.3 109,-3.1 -2,-0.4 2,-0.4 -0.981 41.1-129.0-153.2 153.2 18.0 37.6 38.0 29 29 A L E - C 0 136A 0 -17,-1.7 -18,-2.1 -2,-0.3 2,-0.6 -0.923 16.0-149.9-108.7 134.2 17.8 35.7 34.7 30 30 A F E -AC 10 135A 6 105,-3.3 105,-2.0 -2,-0.4 -20,-0.2 -0.917 15.8-174.3-103.4 125.0 20.8 34.3 32.9 31 31 A A E -A 9 0A 0 -22,-2.7 -22,-1.8 -2,-0.6 103,-0.1 -0.966 22.8-127.8-118.2 122.6 20.4 34.1 29.1 32 32 A P E -A 8 0A 22 0, 0.0 234,-2.9 0, 0.0 2,-0.4 -0.370 22.3-156.6 -59.3 146.0 23.1 32.5 26.9 33 33 A F E -AD 7 265A 3 -26,-2.4 -26,-1.1 232,-0.2 232,-0.2 -0.981 19.8-125.4-127.3 143.0 24.2 34.8 24.0 34 34 A S E S+ 0 0 66 230,-2.1 2,-0.3 -2,-0.4 231,-0.1 0.587 77.2 106.9 -72.8 -12.8 25.8 33.3 20.8 35 35 A L E - 0 0 23 229,-0.1 -28,-2.0 226,-0.1 2,-0.4 -0.535 57.9-176.7 -61.8 128.0 29.0 35.3 20.8 36 36 A A E -A 6 0A 11 -2,-0.3 2,-0.2 -30,-0.2 -2,-0.1 -0.985 32.2-127.5-141.1 141.1 31.6 32.6 21.8 37 37 A D E -A 5 0A 0 -32,-2.3 -32,-2.6 -2,-0.4 2,-0.4 -0.529 32.3-128.9 -72.0 151.1 35.2 32.2 22.6 38 38 A R E -AE 4 82A 63 44,-2.1 44,-3.1 -34,-0.2 2,-0.4 -0.867 25.2-172.6-104.6 134.2 36.9 29.3 20.7 39 39 A L E -AE 3 81A 0 -36,-2.4 -36,-2.6 -2,-0.4 2,-0.5 -0.984 14.0-160.4-126.3 137.8 39.0 26.7 22.7 40 40 A V E -AE 2 80A 20 40,-2.2 40,-2.6 -2,-0.4 2,-0.4 -0.996 15.8-177.8-113.0 124.9 41.1 23.9 21.3 41 41 A V E + E 0 79A 0 -40,-3.1 38,-0.2 -2,-0.5 -2,-0.0 -0.986 5.9 171.2-128.2 116.6 41.7 21.2 24.0 42 42 A E E - E 0 78A 96 36,-2.6 36,-2.7 -2,-0.4 2,-0.2 -0.988 30.5-122.0-132.7 137.6 43.9 18.3 23.1 43 43 A P E + E 0 77A 65 0, 0.0 2,-0.3 0, 0.0 34,-0.3 -0.503 33.4 174.9 -74.8 143.6 45.3 15.5 25.2 44 44 A V E - E 0 76A 45 32,-1.8 32,-2.1 3,-0.2 3,-0.1 -0.887 44.4 -97.1-139.5 175.8 49.1 15.0 25.4 45 45 A S S S- 0 0 107 -2,-0.3 2,-0.3 30,-0.2 -1,-0.1 0.905 94.3 -3.7 -65.3 -41.9 51.4 12.8 27.4 46 46 A S S S+ 0 0 83 29,-0.2 -1,-0.2 -3,-0.0 30,-0.1 -0.984 92.6 29.6-149.9 155.9 52.3 15.2 30.2 47 47 A G - 0 0 40 -2,-0.3 30,-2.3 29,-0.1 2,-0.6 0.186 69.2 -89.9 88.6 161.3 51.9 18.7 31.6 48 48 A L E -f 77 0A 40 28,-0.2 2,-0.6 2,-0.0 30,-0.2 -0.925 41.0-175.3-112.6 104.5 49.4 21.5 31.5 49 49 A H E +f 78 0A 77 28,-2.7 30,-3.0 -2,-0.6 2,-0.4 -0.894 9.1 178.4-105.9 114.1 50.1 23.8 28.5 50 50 A F E -f 79 0A 33 -2,-0.6 2,-0.5 28,-0.2 30,-0.2 -0.959 17.1-173.2-127.8 126.8 47.8 26.8 28.4 51 51 A Q E +f 80 0A 110 28,-2.5 30,-2.7 -2,-0.4 -2,-0.0 -0.974 43.9 83.9-118.5 116.4 47.6 29.7 26.0 52 52 A G S > S- 0 0 32 -2,-0.5 3,-1.3 28,-0.2 6,-0.1 -0.934 77.8 -44.4 175.4-178.7 45.3 32.6 26.8 53 53 A P T 3 S+ 0 0 33 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.208 115.8 15.0 -64.9 148.3 44.9 35.8 28.8 54 54 A Y T > S- 0 0 148 3,-0.1 3,-2.1 2,-0.1 4,-0.3 0.440 88.7-142.1 73.4 0.6 46.1 36.0 32.4 55 55 A G G X S+ 0 0 36 -3,-1.3 3,-1.8 1,-0.3 6,-0.3 -0.118 78.9 6.1 47.3-123.1 48.1 32.8 32.3 56 56 A R G 3 S+ 0 0 194 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.637 128.9 60.0 -69.1 -17.9 47.9 30.8 35.5 57 57 A E G < S+ 0 0 161 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.557 76.9 113.9 -84.0 -9.9 45.2 33.1 37.0 58 58 A N S X> S- 0 0 5 -3,-1.8 4,-2.0 -4,-0.3 3,-0.7 -0.425 72.5-131.7 -60.7 133.3 42.8 32.4 34.1 59 59 A L H 3> S+ 0 0 28 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.801 108.0 56.0 -57.2 -34.1 39.7 30.5 35.5 60 60 A A H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.820 104.8 51.9 -67.2 -35.4 40.1 28.0 32.6 61 61 A Y H <> S+ 0 0 40 -3,-0.7 4,-2.3 -6,-0.3 -2,-0.2 0.946 111.5 46.9 -62.0 -48.7 43.7 27.2 33.7 62 62 A R H X S+ 0 0 110 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.889 109.3 55.5 -62.5 -38.2 42.5 26.6 37.3 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.929 109.1 46.2 -56.8 -46.5 39.6 24.4 35.9 64 64 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.891 112.5 50.2 -65.0 -42.3 42.1 22.2 34.1 65 65 A S H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.920 112.7 46.4 -62.9 -45.7 44.4 22.0 37.1 66 66 A L H X S+ 0 0 46 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 113.3 49.6 -62.2 -43.0 41.5 21.0 39.4 67 67 A Y H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.940 109.7 48.8 -60.7 -51.3 40.2 18.5 36.9 68 68 A L H <>S+ 0 0 7 -4,-2.5 5,-2.9 1,-0.2 4,-0.2 0.894 113.0 49.9 -62.0 -37.1 43.5 16.7 36.3 69 69 A E H ><5S+ 0 0 118 -4,-1.9 3,-1.5 -5,-0.2 -1,-0.2 0.947 111.7 46.9 -61.3 -51.5 44.0 16.6 40.1 70 70 A A H 3<5S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.806 110.5 54.3 -62.5 -28.9 40.5 15.1 40.7 71 71 A A T 3<5S- 0 0 17 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.369 119.3-105.0 -90.4 1.5 41.1 12.6 37.9 72 72 A G T < 5 - 0 0 60 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.814 63.6 -71.4 80.4 31.2 44.3 11.1 39.3 73 73 A Q < + 0 0 120 -5,-2.9 -1,-0.1 -6,-0.2 -4,-0.1 0.942 66.1 177.7 49.1 63.4 46.6 12.9 36.8 74 74 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.634 57.9 -57.1 -72.8 -12.9 45.6 10.7 33.7 75 75 A G - 0 0 16 -7,-0.1 -29,-0.2 34,-0.1 -30,-0.2 -0.955 67.4 -63.7 159.9-172.6 47.9 12.7 31.4 76 76 A G E -E 44 0A 0 -32,-2.1 -32,-1.8 -2,-0.3 2,-0.3 -0.382 35.5-153.5 -97.8 176.8 48.5 16.2 30.1 77 77 A V E -Ef 43 48A 0 -30,-2.3 -28,-2.7 -34,-0.3 2,-0.5 -0.996 9.4-149.0-148.0 148.2 46.5 18.6 28.1 78 78 A R E -Ef 42 49A 114 -36,-2.7 -36,-2.6 -2,-0.3 2,-0.4 -0.988 21.2-173.7-115.4 129.8 47.2 21.5 25.7 79 79 A I E -Ef 41 50A 1 -30,-3.0 -28,-2.5 -2,-0.5 2,-0.4 -0.993 9.7-171.8-126.1 128.8 44.6 24.3 25.8 80 80 A L E -Ef 40 51A 39 -40,-2.6 -40,-2.2 -2,-0.4 2,-0.5 -0.990 7.8-163.3-116.9 130.3 44.4 27.3 23.5 81 81 A L E -E 39 0A 8 -30,-2.7 2,-0.7 -2,-0.4 -42,-0.2 -0.966 4.0-168.6-116.4 115.4 41.8 30.0 24.3 82 82 A E E -E 38 0A 84 -44,-3.1 -44,-2.1 -2,-0.5 2,-0.3 -0.917 20.8-140.5-103.2 107.6 40.9 32.5 21.6 83 83 A K + 0 0 52 -2,-0.7 -46,-0.1 -46,-0.2 -47,-0.0 -0.503 40.0 153.5 -73.4 127.6 38.9 35.3 23.1 84 84 A R + 0 0 111 -2,-0.3 -1,-0.2 1,-0.1 -47,-0.1 0.498 62.2 75.9-113.0 -23.5 36.0 36.8 21.3 85 85 A I S S- 0 0 3 1,-0.0 -1,-0.1 -50,-0.0 -48,-0.0 -0.775 86.4-118.5 -91.4 128.7 34.1 38.0 24.4 86 86 A P - 0 0 21 0, 0.0 3,-0.5 0, 0.0 7,-0.4 -0.298 32.6-118.4 -64.1 147.7 35.3 41.1 26.2 87 87 A E S S+ 0 0 79 1,-0.2 -4,-0.0 2,-0.1 0, 0.0 -0.614 82.4 9.9 -94.8 143.4 36.4 40.5 29.8 88 88 A G S S+ 0 0 43 -2,-0.2 75,-0.2 1,-0.1 -1,-0.2 0.775 90.9 111.8 64.0 33.9 35.0 42.0 33.0 89 89 A A S S- 0 0 0 -3,-0.5 147,-2.0 146,-0.1 142,-0.2 0.217 98.3 -90.9-122.7 7.5 31.9 43.5 31.2 90 90 A G S S+ 0 0 15 145,-0.1 -80,-0.2 143,-0.1 145,-0.1 0.643 99.9 109.7 91.6 14.4 29.1 41.4 32.6 91 91 A L S S- 0 0 1 -5,-0.3 -83,-2.1 143,-0.1 -58,-0.1 0.531 72.9-135.5-105.5 -10.0 29.4 38.8 29.9 92 92 A G > + 0 0 18 -85,-0.2 4,-2.5 1,-0.1 5,-0.2 0.637 49.6 147.5 70.3 19.9 30.8 35.8 31.8 93 93 A G H > S+ 0 0 3 -7,-0.4 4,-2.9 1,-0.2 5,-0.1 0.877 71.7 50.9 -53.7 -44.7 33.5 34.8 29.2 94 94 A G H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 111.7 46.9 -63.3 -45.1 35.9 33.5 31.8 95 95 A S H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 113.0 49.3 -62.6 -40.5 33.3 31.4 33.5 96 96 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.926 108.4 53.9 -65.7 -42.5 32.2 30.0 30.2 97 97 A D H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.916 109.7 47.9 -52.7 -49.1 35.8 29.2 29.2 98 98 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.882 109.0 53.2 -64.5 -39.6 36.3 27.2 32.4 99 99 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.933 109.2 48.9 -60.3 -43.2 33.0 25.3 31.9 100 100 A Q H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.880 109.3 52.2 -69.2 -35.5 34.1 24.3 28.4 101 101 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.937 110.8 48.7 -62.7 -45.2 37.5 23.1 29.7 102 102 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 114.0 45.7 -55.7 -46.7 35.8 21.0 32.3 103 103 A L H X S+ 0 0 35 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.898 112.7 50.5 -69.3 -37.7 33.4 19.5 29.7 104 104 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.923 112.0 46.4 -64.9 -43.3 36.3 18.9 27.3 105 105 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.855 106.6 59.4 -69.7 -34.7 38.4 17.1 30.0 106 106 A Q H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 111.7 41.0 -56.1 -43.3 35.4 15.1 31.0 107 107 A A H < S+ 0 0 61 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.885 120.5 42.4 -71.6 -38.5 35.2 13.7 27.5 108 108 A L H < S+ 0 0 46 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.868 129.0 23.9 -78.9 -36.7 38.9 13.3 27.0 109 109 A Y S < S- 0 0 34 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.602 77.0-166.2-132.7 67.9 39.8 11.8 30.5 110 110 A P + 0 0 104 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.380 28.2 144.4 -61.5 131.5 36.6 10.2 31.9 111 111 A A S S- 0 0 43 2,-0.1 3,-0.1 -5,-0.1 -5,-0.0 0.100 71.9 -95.9-158.1 25.5 37.2 9.5 35.7 112 112 A E + 0 0 199 1,-0.2 2,-0.3 -6,-0.1 -6,-0.0 0.794 64.3 168.9 55.1 30.8 33.8 10.0 37.5 113 113 A V - 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0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.548 42.4-118.7 -83.1 -7.3 31.4 50.7 25.6 160 160 A G + 0 0 48 1,-0.1 2,-0.4 99,-0.1 -2,-0.0 0.948 65.0 139.0 67.0 49.8 34.8 50.1 27.3 161 161 A L + 0 0 60 2,-0.1 2,-0.4 -72,-0.0 -1,-0.1 -0.691 28.0 179.9-127.0 80.1 33.9 51.6 30.7 162 162 A R + 0 0 146 -2,-0.4 73,-0.1 -3,-0.1 -73,-0.1 -0.698 11.1 162.0 -89.4 129.9 35.4 49.3 33.4 163 163 A V - 0 0 43 -2,-0.4 5,-0.1 -75,-0.2 -2,-0.1 -0.931 53.2 -82.8-128.3 157.5 35.1 49.9 37.1 164 164 A P >> - 0 0 79 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.348 41.2-125.1 -57.9 139.0 35.7 47.2 39.9 165 165 A T H 3> S+ 0 0 58 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.815 104.7 61.2 -63.9 -32.8 32.5 45.2 40.3 166 166 A P H 3> S+ 0 0 56 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.783 92.6 70.5 -60.8 -27.6 32.1 45.7 44.1 167 167 A L H <> S+ 0 0 52 -3,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.929 96.2 47.9 -53.0 -53.1 31.8 49.5 43.4 168 168 A V H < S+ 0 0 4 -4,-0.6 4,-0.4 -3,-0.4 -1,-0.2 0.913 114.6 47.8 -63.5 -37.0 28.4 49.2 41.8 169 169 A Y H >< S+ 0 0 55 -4,-1.1 3,-1.2 1,-0.2 -1,-0.2 0.912 109.4 51.1 -67.0 -41.3 27.2 47.0 44.7 170 170 A R H 3< S+ 0 0 177 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 107.7 56.3 -62.6 -28.5 28.6 49.4 47.4 171 171 A A T 3< S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.567 82.7 111.2 -81.7 -10.1 26.7 52.2 45.6 172 172 A V < - 0 0 8 -3,-1.2 30,-0.1 -4,-0.4 -3,-0.0 -0.392 50.4-164.9 -66.0 140.0 23.3 50.4 45.9 173 173 A R > - 0 0 139 -2,-0.1 3,-3.1 1,-0.1 4,-0.5 -0.884 36.1-105.1-126.2 157.4 20.8 52.1 48.2 174 174 A P G > S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.803 119.6 64.5 -49.2 -27.9 17.5 50.9 49.8 175 175 A E G 3 S+ 0 0 179 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.651 97.5 56.0 -71.8 -12.5 15.7 53.1 47.3 176 176 A D G < S+ 0 0 25 -3,-3.1 -161,-0.4 2,-0.1 -1,-0.2 0.539 79.8 117.8 -90.0 -12.6 17.1 50.9 44.5 177 177 A F < - 0 0 67 -3,-1.2 -161,-0.2 -4,-0.5 -160,-0.1 -0.317 46.1-168.4 -63.8 136.8 15.6 47.6 45.9 178 178 A G - 0 0 14 -163,-2.6 3,-0.1 1,-0.1 -164,-0.1 -0.722 21.3-105.5-119.4 174.5 13.1 45.9 43.6 179 179 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -152,-0.1 -0.187 59.9 -67.9 -80.4-178.2 10.5 43.2 43.7 180 180 A D - 0 0 59 1,-0.1 -165,-0.1 -154,-0.1 -152,-0.0 -0.422 59.6-101.1 -62.9 151.2 11.0 39.8 42.0 181 181 A L - 0 0 6 -2,-0.1 2,-1.8 1,-0.1 3,-0.2 -0.485 30.6-117.3 -71.2 140.7 11.2 39.9 38.2 182 182 A P > - 0 0 51 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.618 39.4-176.0 -80.3 85.5 7.9 38.7 36.6 183 183 A V H > S+ 0 0 16 -2,-1.8 4,-2.5 1,-0.2 5,-0.2 0.907 74.0 45.8 -55.9 -50.2 9.6 35.8 34.9 184 184 A E H > S+ 0 0 134 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 113.1 49.9 -64.3 -41.9 6.6 34.4 32.9 185 185 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 109.7 52.2 -63.5 -35.2 5.7 37.9 31.6 186 186 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.948 110.3 48.0 -65.0 -46.8 9.3 38.5 30.6 187 187 A L H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 112.0 50.3 -58.6 -43.4 9.3 35.2 28.6 188 188 A E H X S+ 0 0 105 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.927 108.7 51.6 -61.3 -44.1 6.0 36.1 27.0 189 189 A A H X>S+ 0 0 3 -4,-2.2 5,-2.3 1,-0.2 4,-0.8 0.902 109.3 50.8 -63.7 -39.0 7.3 39.6 26.0 190 190 A L H ><5S+ 0 0 8 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.948 112.8 44.2 -59.7 -49.6 10.4 38.0 24.4 191 191 A A H 3<5S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.825 117.3 46.4 -70.3 -28.0 8.4 35.5 22.3 192 192 A R H 3<5S- 0 0 159 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.498 110.1-120.0 -89.8 -9.0 5.8 38.2 21.3 193 193 A G T <<5 + 0 0 32 -4,-0.8 -3,-0.2 -3,-0.8 2,-0.1 0.795 66.9 134.2 72.1 33.6 8.4 40.8 20.4 194 194 A E < - 0 0 96 -5,-2.3 -1,-0.2 -6,-0.2 32,-0.1 -0.450 69.6 -78.8-101.5 175.6 7.3 43.4 23.0 195 195 A E - 0 0 121 -2,-0.1 -1,-0.1 31,-0.1 -5,-0.1 -0.661 56.0-126.3 -71.1 116.1 9.1 45.6 25.6 196 196 A P - 0 0 12 0, 0.0 2,-2.3 0, 0.0 -10,-0.1 -0.428 9.3-122.9 -69.0 140.8 9.9 43.1 28.4 197 197 A P S S+ 0 0 59 0, 0.0 2,-0.2 0, 0.0 -11,-0.2 -0.337 73.4 116.2 -77.4 60.2 8.8 44.1 32.0 198 198 A Y + 0 0 22 -2,-2.3 2,-0.3 -17,-0.1 -186,-0.1 -0.756 38.2 178.4-118.2 175.6 12.3 43.8 33.3 199 199 A W - 0 0 71 -2,-0.2 -186,-2.9 -188,-0.0 2,-0.4 -0.936 28.1-125.6-158.2 170.3 14.9 46.2 34.9 200 200 A N B > -b 13 0A 6 -2,-0.3 3,-2.1 -188,-0.2 4,-0.3 -0.941 12.4-158.3-130.6 111.4 18.4 46.1 36.3 201 201 A S T > S+ 0 0 10 -188,-2.7 3,-1.3 -2,-0.4 -187,-0.1 0.736 90.3 68.3 -60.1 -25.1 18.4 47.6 39.8 202 202 A L T 3> S+ 0 0 0 -189,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.694 83.3 72.4 -70.1 -18.0 22.2 48.3 39.4 203 203 A E H <> S+ 0 0 23 -3,-2.1 4,-2.4 2,-0.2 5,-0.3 0.759 85.6 70.1 -66.2 -23.7 21.3 50.9 36.7 204 204 A G H <> S+ 0 0 25 -3,-1.3 4,-1.4 -4,-0.3 -2,-0.2 0.991 112.1 24.2 -51.9 -71.7 20.2 53.0 39.7 205 205 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.883 122.3 58.1 -61.1 -42.0 23.6 53.7 41.1 206 206 A A H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 7,-0.2 0.918 109.4 42.0 -62.9 -42.7 25.4 53.1 37.8 207 207 A F H < S+ 0 0 15 -4,-2.4 -1,-0.2 2,-0.2 7,-0.2 0.824 114.2 52.7 -74.3 -29.8 23.5 55.9 35.9 208 208 A R H < S+ 0 0 137 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.927 119.3 34.8 -64.3 -47.7 23.8 58.3 38.8 209 209 A L H < S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.874 130.6 31.5 -75.5 -38.6 27.6 57.8 39.0 210 210 A F >< + 0 0 53 -4,-3.0 3,-2.5 -5,-0.3 4,-0.3 -0.657 60.5 175.6-126.1 77.1 28.2 57.4 35.3 211 211 A P T >> S+ 0 0 75 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.719 74.4 78.6 -59.4 -20.6 25.7 59.4 33.2 212 212 A E H >> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.844 84.8 65.9 -47.9 -36.0 27.7 58.4 30.0 213 213 A L H <> S+ 0 0 7 -3,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.787 92.9 56.4 -62.1 -32.6 25.8 55.1 30.4 214 214 A K H <> S+ 0 0 92 -3,-1.4 4,-2.6 -4,-0.3 -1,-0.2 0.848 104.4 53.9 -65.6 -35.6 22.3 56.7 29.8 215 215 A E H <>S+ 0 0 0 -4,-1.8 5,-1.7 2,-0.2 3,-0.5 0.894 110.9 52.5 -69.1 -40.1 20.6 51.6 21.3 221 221 A R H ><5S+ 0 0 133 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.923 104.1 57.9 -59.3 -41.5 16.9 52.6 21.8 222 222 A A H 3<5S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 98.1 59.8 -64.4 -25.5 17.2 55.0 18.7 223 223 A L T <<5S- 0 0 60 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.300 126.1-100.6 -84.0 7.7 18.3 52.1 16.5 224 224 A G T < 5S+ 0 0 37 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.561 71.5 149.9 89.7 7.0 15.0 50.4 17.3 225 225 A L < - 0 0 4 -5,-1.7 3,-0.3 16,-0.1 -1,-0.3 -0.545 33.1-146.4 -77.7 139.9 16.3 47.9 19.9 226 226 A R E S+J 240 0A 26 14,-2.9 14,-3.0 -2,-0.2 -31,-0.1 -0.680 70.6 19.5-100.4 157.3 13.8 46.9 22.7 227 227 A G E S- 0 0 7 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.835 76.3-170.8 61.2 37.0 14.4 46.1 26.3 228 228 A V E + 0 0 5 -3,-0.3 2,-0.3 11,-0.1 11,-0.2 -0.473 14.2 163.7 -70.3 124.0 17.8 47.8 26.4 229 229 A L E -J 238 0A 8 9,-2.1 9,-2.4 -2,-0.3 2,-0.3 -0.990 45.0-113.4-139.2 145.4 19.6 47.0 29.7 230 230 A M E -J 237 0A 4 -2,-0.3 2,-0.8 7,-0.2 7,-0.3 -0.614 47.1-115.1 -66.3 137.5 23.0 47.1 31.1 231 231 A S > - 0 0 0 5,-3.3 3,-2.3 -2,-0.3 5,-0.2 -0.714 59.8 -60.7 -86.9 110.8 24.0 43.4 31.6 232 232 A G T 3 S- 0 0 3 -2,-0.8 3,-0.1 -222,-0.4 -30,-0.1 -0.263 121.9 -8.6 54.5-130.4 24.4 42.8 35.3 233 233 A S T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -30,-0.0 -143,-0.1 0.500 114.4 162.5 -79.4 -2.2 27.1 44.9 36.8 234 234 A G S < S- 0 0 7 -3,-2.3 -1,-0.2 2,-0.1 -71,-0.1 -0.084 70.5-178.4 84.4-174.9 28.1 46.1 33.4 235 235 A S S S+ 0 0 8 -146,-0.2 -145,-0.1 -78,-0.1 -146,-0.1 -0.986 80.4 80.0 -96.3 4.7 29.4 47.8 31.4 236 236 A A - 0 0 0 -147,-2.0 -5,-3.3 -5,-0.2 2,-0.3 -0.404 62.2-159.5 -66.0 149.6 28.1 45.8 28.4 237 237 A F E -IJ 157 230A 1 -80,-2.7 -80,-2.7 -7,-0.3 2,-0.3 -0.831 4.5-161.1-118.3 158.0 24.5 46.4 27.3 238 238 A F E -IJ 156 229A 0 -9,-2.4 -9,-2.1 -2,-0.3 2,-0.3 -0.979 5.5-174.1-135.1 162.8 22.1 44.3 25.3 239 239 A G E -I 155 0A 0 -84,-2.0 -84,-2.4 -2,-0.3 2,-0.4 -0.969 26.4-113.8-147.8 157.1 18.9 45.0 23.3 240 240 A L E -IJ 154 226A 2 -14,-3.0 -14,-2.9 -2,-0.3 -86,-0.3 -0.801 29.6-150.9 -98.7 137.8 16.4 42.9 21.5 241 241 A A - 0 0 6 -88,-2.1 -16,-0.1 -2,-0.4 -17,-0.1 -0.545 23.0-122.2-107.1 165.4 16.0 43.2 17.7 242 242 A E S S- 0 0 129 1,-0.2 -1,-0.1 -2,-0.2 -88,-0.0 0.783 88.8 -28.3 -77.7 -22.9 13.0 42.8 15.4 243 243 A G S > S- 0 0 17 -91,-0.1 4,-2.5 1,-0.0 -1,-0.2 -0.956 78.2 -75.4-177.1 174.2 14.9 40.1 13.4 244 244 A P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.859 125.2 49.6 -61.6 -36.9 18.4 38.9 12.4 245 245 A D H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.913 111.2 51.0 -69.2 -39.8 19.0 41.6 9.7 246 246 A H H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.946 109.9 49.5 -60.3 -48.2 17.9 44.3 12.2 247 247 A A H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.932 112.2 48.7 -54.5 -47.3 20.3 43.0 14.8 248 248 A R H X S+ 0 0 122 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 114.0 44.8 -59.7 -45.8 23.1 43.0 12.2 249 249 A R H X S+ 0 0 164 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.883 113.4 49.5 -68.8 -37.8 22.5 46.5 11.0 250 250 A A H X S+ 0 0 4 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.5 49.6 -68.3 -41.2 22.1 47.9 14.6 251 251 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.3 -2,-0.2 0.926 109.5 51.9 -61.1 -41.9 25.4 46.2 15.6 252 252 A E H >< S+ 0 0 121 -4,-2.2 3,-0.7 -5,-0.2 4,-0.3 0.921 110.3 48.7 -62.4 -42.0 27.1 47.7 12.6 253 253 A A H >< S+ 0 0 47 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.880 106.6 56.6 -64.7 -38.2 25.8 51.2 13.5 254 254 A L H >X S+ 0 0 1 -4,-2.1 3,-2.4 1,-0.2 4,-0.8 0.732 84.2 82.7 -69.0 -19.6 27.0 50.9 17.1 255 255 A R T << S+ 0 0 102 -4,-1.0 -1,-0.2 -3,-0.7 3,-0.2 0.716 77.8 71.2 -61.5 -20.8 30.6 50.1 16.0 256 256 A A T <4 S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.765 109.9 30.8 -56.2 -30.2 31.1 53.9 15.7 257 257 A W T <4 S- 0 0 157 -3,-2.4 2,-0.3 -4,-0.2 -2,-0.2 0.456 132.5 -42.5-116.1 -4.4 31.0 54.2 19.5 258 258 A G S < S- 0 0 22 -4,-0.8 2,-0.4 -3,-0.2 -1,-0.1 -0.958 84.2 -37.6 169.9-157.4 32.4 50.9 20.7 259 259 A R E + H 0 158A 104 -101,-2.2 -101,-3.3 -2,-0.3 2,-0.3 -0.816 55.2 177.1-100.6 138.7 32.3 47.2 20.1 260 260 A A E - H 0 157A 0 -2,-0.4 2,-0.4 -103,-0.2 -103,-0.2 -0.996 12.5-168.5-142.3 151.1 29.1 45.4 19.1 261 261 A W E - H 0 156A 37 -105,-2.2 -105,-2.5 -2,-0.3 2,-0.4 -0.999 13.5-145.4-141.1 136.2 27.8 42.0 18.1 262 262 A A E + H 0 155A 38 -2,-0.4 2,-0.3 -107,-0.2 -107,-0.2 -0.782 44.3 121.9 -92.8 142.4 24.6 40.6 16.6 263 263 A G E - H 0 154A 15 -109,-2.4 -109,-2.4 -2,-0.4 2,-0.4 -0.906 57.5 -68.7-170.1-164.4 23.6 37.2 17.7 264 264 A T E - H 0 153A 63 -2,-0.3 -230,-2.1 -111,-0.2 2,-0.4 -0.936 31.9-154.3-114.4 136.5 20.9 35.0 19.4 265 265 A L E -DH 33 152A 0 -113,-2.7 -113,-2.4 -2,-0.4 -232,-0.2 -0.874 64.4 -5.1-105.8 139.2 20.0 35.2 23.0 266 266 A G + 0 0 17 -234,-2.9 -2,-0.1 -2,-0.4 -118,-0.1 -0.324 58.4 152.3 79.5-162.2 18.5 32.1 24.6 267 267 A G 0 0 45 -118,-1.7 -1,-0.1 1,-0.2 -119,-0.1 0.218 360.0 360.0 129.9 -18.3 17.7 28.9 22.8 268 268 A G 0 0 69 -121,-0.2 -119,-0.4 -118,-0.1 -134,-0.2 -0.677 360.0 360.0 -88.5 360.0 17.9 25.7 24.9