==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-AUG-11 3TH8 . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.CAO,W.ZHU,Y.ZHANG,E.OLDFIELD . 416 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 13.7 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 . 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 . 35 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 1 1 0 1 0 1 2 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 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 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 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 G 0 0 103 0, 0.0 2,-0.6 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 153.8 11.8 21.3 13.0 2 18 A C + 0 0 21 1,-0.2 45,-0.2 155,-0.0 3,-0.1 -0.673 360.0 169.2 -81.5 120.7 12.3 18.2 15.0 3 19 A R + 0 0 115 -2,-0.6 45,-2.3 1,-0.3 44,-1.6 0.830 65.2 27.5 -98.1 -35.8 11.4 18.6 18.7 4 20 A H E -a 48 0A 2 151,-0.3 153,-2.6 43,-0.2 154,-1.4 -0.944 62.5-174.9-140.7 110.4 11.5 15.1 20.1 5 21 A V E -ab 49 158A 0 43,-2.0 45,-2.8 -2,-0.4 2,-0.4 -0.861 5.6-164.0-104.8 136.6 13.6 12.1 18.9 6 22 A A E -ab 50 159A 0 152,-2.7 154,-3.4 -2,-0.4 2,-0.5 -0.968 9.6-162.4-118.2 140.5 13.4 8.6 20.2 7 23 A I E -ab 51 160A 0 43,-2.9 45,-2.7 -2,-0.4 2,-0.7 -0.991 17.6-153.9-132.0 127.7 16.1 6.1 19.4 8 24 A I E -ab 52 161A 0 152,-3.3 154,-2.0 -2,-0.5 2,-1.8 -0.891 21.9-151.4 -92.1 111.7 16.2 2.4 19.7 9 25 A M + 0 0 21 43,-2.2 46,-0.4 -2,-0.7 3,-0.4 -0.321 31.8 158.1 -89.0 66.6 19.9 1.7 20.2 10 26 A D + 0 0 27 -2,-1.8 178,-1.7 152,-0.4 154,-0.1 -0.470 38.2 56.6 -94.1 153.8 20.4 -1.7 18.7 11 27 A G > + 0 0 4 176,-0.2 4,-2.2 -2,-0.1 -1,-0.2 0.487 57.3 116.7 118.9 2.6 23.7 -3.3 17.4 12 28 A N H > S+ 0 0 19 -3,-0.4 4,-2.2 2,-0.2 5,-0.1 0.898 83.1 47.1 -68.5 -45.0 26.1 -3.2 20.3 13 29 A G H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 113.3 47.0 -62.0 -45.0 26.3 -7.0 20.5 14 30 A R H > S+ 0 0 151 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.935 111.8 52.7 -63.1 -46.3 26.8 -7.4 16.7 15 31 A W H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.913 108.7 48.5 -50.9 -52.9 29.4 -4.7 16.7 16 32 A A H <>S+ 0 0 1 -4,-2.2 5,-2.0 2,-0.2 -1,-0.2 0.933 112.3 49.5 -57.6 -48.2 31.4 -6.4 19.5 17 33 A K H ><5S+ 0 0 167 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.911 107.4 54.3 -58.0 -47.9 31.3 -9.8 17.6 18 34 A K H 3<5S+ 0 0 168 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.892 109.1 48.7 -50.7 -44.7 32.4 -8.1 14.3 19 35 A Q T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.269 117.2-115.6 -79.6 9.7 35.5 -6.7 16.3 20 36 A G T < 5S+ 0 0 66 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.897 78.1 120.2 52.0 48.4 36.2 -10.2 17.7 21 37 A K < - 0 0 117 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.2 -0.829 65.4 -96.0-135.8 163.7 35.5 -8.9 21.2 22 38 A I >> - 0 0 129 -2,-0.3 3,-2.2 -3,-0.1 4,-0.8 -0.497 39.9 -98.1 -85.6 157.5 33.1 -9.8 23.9 23 39 A R H >> S+ 0 0 191 1,-0.3 4,-2.2 2,-0.2 3,-1.3 0.836 118.9 66.7 -30.8 -57.6 29.7 -8.1 24.7 24 40 A A H 3> S+ 0 0 57 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.813 98.8 52.5 -36.3 -44.4 31.4 -6.0 27.5 25 41 A F H <> S+ 0 0 107 -3,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.842 108.6 49.2 -67.6 -37.1 33.4 -4.2 24.8 26 42 A G H S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 3,-0.4 0.927 112.9 47.6 -62.7 -42.9 20.8 16.7 20.5 42 58 A A H ><5S+ 0 0 43 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.962 112.5 48.9 -66.5 -43.2 21.6 19.4 23.1 43 59 A N H 3<5S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.657 110.5 52.0 -70.1 -16.5 23.7 21.5 20.7 44 60 A N T 3<5S- 0 0 92 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.246 113.9-109.0-107.9 18.6 21.1 21.3 18.0 45 61 A G T < 5 + 0 0 62 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.721 59.1 157.5 65.7 23.6 18.1 22.6 20.0 46 62 A I < - 0 0 9 -5,-1.9 -1,-0.2 -6,-0.2 -43,-0.2 -0.628 31.9-151.7 -71.6 137.8 16.2 19.3 20.2 47 63 A E S S+ 0 0 88 -44,-1.6 58,-3.1 1,-0.3 2,-0.4 0.852 71.3 18.6 -80.4 -43.3 13.8 19.5 23.2 48 64 A A E -ac 4 105A 1 -45,-2.3 -43,-2.0 56,-0.2 2,-0.4 -0.997 55.6-171.6-135.6 144.1 13.6 15.9 24.1 49 65 A L E -ac 5 106A 0 56,-2.4 58,-2.8 -2,-0.4 2,-0.5 -0.995 9.2-166.4-132.6 125.6 15.6 12.8 23.4 50 66 A T E -ac 6 107A 0 -45,-2.8 -43,-2.9 -2,-0.4 2,-0.5 -0.962 6.8-163.3-119.6 121.6 14.2 9.4 24.5 51 67 A L E -ac 7 108A 1 56,-2.8 58,-2.5 -2,-0.5 2,-0.5 -0.892 7.5-168.9-114.4 126.7 16.6 6.3 24.4 52 68 A Y E -ac 8 109A 24 -45,-2.7 -43,-2.2 -2,-0.5 2,-0.6 -0.950 16.5-143.7-111.7 115.5 15.7 2.6 24.5 53 69 A A + 0 0 73 56,-0.6 -43,-0.1 -2,-0.5 -45,-0.1 -0.673 34.2 157.4 -77.4 115.1 18.5 0.0 25.2 54 70 A F 0 0 90 -2,-0.6 -1,-0.2 -45,-0.3 -44,-0.1 0.835 360.0 360.0-105.4 -56.5 17.5 -3.0 22.9 55 71 A S 0 0 48 -46,-0.4 -42,-0.1 -28,-0.0 -1,-0.1 -0.284 360.0 360.0 -73.5 360.0 20.8 -4.9 22.4 56 ! 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 57 90 A V > 0 0 53 0, 0.0 3,-3.2 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -40.1 21.5 1.8 35.0 58 91 A W T 3 + 0 0 209 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.662 360.0 65.2 -48.4 -16.8 24.2 1.5 37.8 59 92 A A T 3 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.260 83.9 73.3 -92.4 10.8 26.4 3.4 35.2 60 93 A L S X> S+ 0 0 37 -3,-3.2 4,-0.9 2,-0.1 3,-0.5 0.647 75.8 77.7 -97.6 -16.7 24.3 6.5 35.3 61 94 A D T 34 S+ 0 0 73 -4,-0.4 3,-0.5 -3,-0.4 4,-0.4 0.888 96.7 47.7 -46.6 -44.7 25.5 7.5 38.8 62 95 A S T 34 S+ 0 0 88 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.677 110.6 49.1 -79.2 -21.3 28.7 8.8 37.2 63 96 A E T <> S+ 0 0 54 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.548 89.8 82.5 -95.1 -8.9 27.2 10.8 34.4 64 97 A V H X S+ 0 0 8 -4,-0.9 4,-2.2 -3,-0.5 5,-0.2 0.865 85.2 52.2 -71.0 -37.0 24.6 12.8 36.4 65 98 A K H > S+ 0 0 152 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.953 111.7 50.9 -66.8 -42.4 26.6 15.7 37.7 66 99 A S H > S+ 0 0 38 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.849 108.6 49.3 -55.6 -47.7 27.8 16.3 34.2 67 100 A L H <>S+ 0 0 20 -4,-1.6 5,-2.5 1,-0.2 -1,-0.2 0.845 107.4 57.4 -62.2 -37.2 24.2 16.3 32.7 68 101 A H H ><5S+ 0 0 65 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.892 104.3 49.7 -60.9 -43.2 23.1 18.7 35.4 69 102 A R H 3<5S+ 0 0 178 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.8 58.8 -68.6 -27.6 25.7 21.3 34.5 70 103 A H T 3<5S- 0 0 134 -4,-1.0 34,-0.3 -5,-0.2 -1,-0.3 0.292 119.1-113.1 -83.3 12.6 24.6 21.0 30.9 71 104 A N T < 5 + 0 0 58 -3,-1.6 32,-2.1 1,-0.2 2,-0.4 0.765 64.4 155.0 64.4 26.7 21.2 22.1 31.9 72 105 A V < - 0 0 3 -5,-2.5 2,-0.6 31,-0.2 -1,-0.2 -0.740 39.0-143.2 -92.1 130.4 19.7 18.6 31.1 73 106 A R E -d 105 0A 69 31,-2.1 33,-3.2 -2,-0.4 2,-0.5 -0.839 21.2-152.1 -92.3 116.6 16.5 17.3 32.8 74 107 A L E +d 106 0A 5 -2,-0.6 2,-0.3 20,-0.3 24,-0.2 -0.814 19.3 171.8 -94.4 129.7 16.9 13.5 33.4 75 108 A R E -d 107 0A 70 31,-2.7 33,-2.9 -2,-0.5 2,-0.5 -0.990 22.1-149.5-135.1 146.5 14.0 11.1 33.5 76 109 A I E -d 108 0A 20 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.940 15.8-167.5-108.2 124.4 13.6 7.4 33.7 77 110 A I E +d 109 0A 15 31,-2.2 33,-3.1 -2,-0.5 2,-0.2 -0.917 45.5 57.2-110.3 151.7 10.5 5.9 32.1 78 111 A G S S- 0 0 13 -2,-0.4 2,-1.1 31,-0.2 34,-0.3 -0.702 97.0 -41.6 121.7-179.7 9.5 2.3 32.6 79 112 A D + 0 0 49 32,-2.5 3,-0.4 -2,-0.2 4,-0.3 -0.659 53.4 161.1 -93.0 98.7 8.8 0.0 35.6 80 113 A T + 0 0 39 -2,-1.1 -1,-0.2 1,-0.2 31,-0.1 0.348 46.6 100.3 -98.8 10.4 11.3 0.7 38.3 81 114 A S S S+ 0 0 81 1,-0.2 -1,-0.2 7,-0.0 -2,-0.0 0.597 81.2 47.8 -73.8 -18.8 9.2 -0.9 41.1 82 115 A R S S+ 0 0 236 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.869 88.1 105.4 -89.6 -43.6 11.0 -4.2 41.3 83 116 A F S S- 0 0 46 -4,-0.3 5,-0.1 1,-0.1 -3,-0.0 0.101 88.8 -89.9 -22.5 135.4 14.5 -2.5 41.3 84 117 A N > - 0 0 106 1,-0.1 4,-1.9 3,-0.1 3,-0.4 -0.198 37.5-113.8 -65.7 158.3 16.1 -2.6 44.7 85 118 A S H > S+ 0 0 95 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.681 112.0 58.9 -79.2 -19.2 15.3 0.4 46.9 86 119 A R H > S+ 0 0 167 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.907 111.3 42.9 -69.1 -42.3 18.7 1.9 47.0 87 120 A L H > S+ 0 0 26 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.826 110.8 56.6 -66.1 -36.2 18.7 2.2 43.2 88 121 A Q H X S+ 0 0 41 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.965 110.0 45.0 -61.5 -48.4 15.1 3.4 43.3 89 122 A E H X S+ 0 0 105 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.830 110.5 53.8 -67.9 -31.5 16.3 6.2 45.6 90 123 A R H X S+ 0 0 97 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.910 111.0 46.3 -62.5 -42.5 19.4 7.0 43.4 91 124 A I H X S+ 0 0 17 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.958 112.5 51.5 -63.5 -47.4 17.1 7.3 40.4 92 125 A R H X S+ 0 0 143 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.919 110.8 46.5 -56.5 -49.5 14.8 9.5 42.5 93 126 A K H X S+ 0 0 139 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.845 112.5 51.2 -60.1 -39.6 17.7 11.8 43.6 94 127 A S H X S+ 0 0 18 -4,-2.3 4,-1.5 2,-0.2 -20,-0.3 0.946 112.0 45.7 -63.6 -48.5 19.0 12.0 40.0 95 128 A E H X S+ 0 0 58 -4,-2.9 4,-0.7 2,-0.2 3,-0.3 0.932 115.4 48.0 -54.5 -48.4 15.6 13.0 38.7 96 129 A A H >< S+ 0 0 72 -4,-2.6 3,-0.8 1,-0.3 4,-0.4 0.893 107.6 55.1 -63.8 -46.0 15.1 15.5 41.6 97 130 A L H 3< S+ 0 0 81 -4,-2.7 -1,-0.3 1,-0.2 3,-0.2 0.830 119.6 31.2 -53.2 -39.0 18.5 17.1 41.1 98 131 A T H >< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.3 -1,-0.2 0.407 89.4 101.9-104.8 3.4 17.9 17.8 37.4 99 132 A A T << S+ 0 0 55 -3,-0.8 -1,-0.1 -4,-0.7 -2,-0.1 0.748 80.5 50.0 -66.3 -26.1 14.1 18.5 37.5 100 133 A G T 3 S+ 0 0 71 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.1 0.318 85.5 120.0 -90.2 7.8 14.2 22.3 37.3 101 134 A N < - 0 0 20 -3,-1.7 -28,-0.1 -29,-0.1 -29,-0.1 -0.434 48.9-160.6 -78.3 149.8 16.6 22.2 34.4 102 135 A T + 0 0 124 -2,-0.1 -30,-0.1 -30,-0.1 3,-0.1 0.349 61.4 75.8-118.6 2.9 15.4 23.9 31.1 103 136 A G S S- 0 0 36 -32,-2.1 2,-0.2 1,-0.3 -31,-0.2 0.450 97.3 -9.3 -86.3-131.7 17.6 22.5 28.4 104 137 A L - 0 0 7 -34,-0.3 -31,-2.1 -66,-0.1 2,-0.6 -0.487 59.4-141.6 -70.8 129.1 17.2 19.0 26.8 105 138 A T E -cd 48 73A 5 -58,-3.1 -56,-2.4 -2,-0.2 2,-0.6 -0.859 19.6-161.4 -85.3 121.8 14.9 16.6 28.5 106 139 A L E -cd 49 74A 4 -33,-3.2 -31,-2.7 -2,-0.6 2,-0.6 -0.923 3.7-165.2-107.3 113.1 16.6 13.2 28.3 107 140 A N E -cd 50 75A 1 -58,-2.8 -56,-2.8 -2,-0.6 2,-0.5 -0.890 1.5-165.2-102.2 128.0 14.3 10.2 28.9 108 141 A I E -cd 51 76A 26 -33,-2.9 -31,-2.2 -2,-0.6 2,-0.5 -0.945 12.4-145.5-111.2 118.2 15.9 6.8 29.6 109 142 A A E +cd 52 77A 9 -58,-2.5 -56,-0.6 -2,-0.5 2,-0.5 -0.694 22.5 178.4 -87.1 121.8 13.6 3.8 29.2 110 143 A A S S- 0 0 10 -33,-3.1 3,-0.1 -2,-0.5 -31,-0.1 -0.972 72.9 -10.1-132.2 120.4 14.5 1.2 31.7 111 144 A N S S+ 0 0 104 -2,-0.5 -32,-2.5 1,-0.2 2,-0.4 0.967 101.9 157.5 53.3 48.6 12.5 -2.0 31.9 112 145 A Y + 0 0 15 -34,-0.3 2,-0.3 -3,-0.2 -1,-0.2 -0.839 25.2 174.3-104.7 146.9 10.1 -0.2 29.6 113 146 A G > - 0 0 7 -2,-0.4 4,-2.0 -3,-0.1 58,-0.2 -0.978 32.1-135.5-143.0 139.7 7.5 -1.7 27.2 114 147 A G H > S+ 0 0 0 56,-2.8 4,-2.0 57,-0.4 60,-0.2 0.888 108.5 49.8 -61.8 -36.9 5.0 0.3 25.2 115 148 A R H > S+ 0 0 38 55,-0.2 4,-2.8 2,-0.2 5,-0.2 0.975 110.0 50.4 -63.6 -50.4 2.2 -2.1 26.1 116 149 A W H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.842 107.8 55.7 -47.0 -44.3 3.1 -1.9 29.8 117 150 A D H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.925 110.7 43.1 -59.0 -50.7 3.1 2.0 29.4 118 151 A I H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-0.5 0.948 113.7 51.5 -60.5 -49.0 -0.5 1.9 28.1 119 152 A V H 3X S+ 0 0 8 -4,-2.8 4,-3.1 1,-0.3 5,-0.2 0.913 104.6 55.3 -60.1 -42.3 -1.7 -0.6 30.7 120 153 A Q H 3X S+ 0 0 33 -4,-2.7 4,-1.1 1,-0.2 -1,-0.3 0.851 109.7 48.3 -62.1 -29.7 -0.3 1.3 33.6 121 154 A G H S+ 0 0 84 -4,-1.7 5,-2.2 1,-0.2 6,-0.4 0.880 110.2 49.6 -62.5 -43.0 -10.7 6.2 39.3 129 162 A V H ><5S+ 0 0 4 -4,-2.2 3,-1.2 4,-0.2 5,-0.3 0.913 111.2 49.6 -61.5 -45.0 -13.8 4.3 38.0 130 163 A Q H 3<5S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.974 107.7 53.6 -58.8 -55.8 -13.9 2.0 41.0 131 164 A Q T 3<5S- 0 0 130 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.534 119.7-111.0 -48.2 -16.2 -13.7 5.0 43.4 132 165 A G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 -4,-0.4 -1,-0.1 0.450 86.4 119.6 88.5 6.6 -16.7 6.6 41.6 133 166 A N S - 0 0 85 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.712 28.0-121.4 -91.6 142.9 -17.8 7.1 34.1 136 169 A P G > S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.899 110.8 52.9 -42.4 -53.4 -16.8 4.7 31.3 137 170 A D G 3 S+ 0 0 121 1,-0.3 199,-0.1 202,-0.1 203,-0.0 0.625 97.5 66.8 -70.6 -11.7 -18.2 6.8 28.5 138 171 A Q G < S+ 0 0 110 -3,-1.1 2,-0.4 198,-0.1 -1,-0.3 0.625 77.4 103.1 -74.5 -15.1 -16.2 9.8 29.7 139 172 A I < + 0 0 0 -3,-1.8 2,-0.2 -4,-0.4 197,-0.1 -0.585 47.3 155.3 -78.7 123.2 -12.9 8.1 28.8 140 173 A D > - 0 0 71 -2,-0.4 4,-1.8 1,-0.0 5,-0.2 -0.715 57.2 -83.1-135.2-178.1 -11.4 9.4 25.5 141 174 A E H > S+ 0 0 77 -2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.914 122.8 53.1 -59.1 -45.6 -8.0 9.7 23.8 142 175 A E H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.874 108.2 48.9 -63.0 -37.7 -7.0 12.9 25.6 143 176 A M H 4 S+ 0 0 48 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.907 112.8 47.2 -71.6 -40.3 -7.6 11.4 29.1 144 177 A L H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 4,-0.5 0.933 107.3 58.3 -65.7 -40.8 -5.7 8.3 28.3 145 178 A N H >< S+ 0 0 35 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.878 98.8 60.0 -49.0 -39.3 -2.9 10.5 26.9 146 179 A Q T 3< S+ 0 0 92 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.575 107.5 46.4 -67.6 -11.5 -2.7 12.2 30.4 147 180 A H T < S+ 0 0 33 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.387 95.5 85.4-116.6 3.5 -1.8 8.9 32.0 148 181 A V S X S- 0 0 2 -3,-1.3 3,-1.2 -4,-0.5 -30,-0.1 -0.708 92.0 -77.1 -99.7 155.6 0.9 7.5 29.6 149 182 A C T 3 S+ 0 0 24 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.174 109.5 13.2 -53.5 140.7 4.6 8.4 29.8 150 183 A M T > S+ 0 0 15 -4,-0.1 3,-2.1 1,-0.1 -1,-0.2 0.561 71.1 143.7 72.2 19.9 5.8 11.8 28.5 151 184 A H T < S+ 0 0 77 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.791 71.8 57.5 -59.6 -22.3 2.4 13.5 28.2 152 185 A E T 3 S+ 0 0 89 -6,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.565 98.4 78.7 -84.6 -5.6 4.1 16.8 29.3 153 186 A L S < S- 0 0 21 -3,-2.1 3,-0.1 1,-0.1 -149,-0.1 -0.581 96.0 -82.2 -96.1 164.5 6.6 16.7 26.5 154 187 A A - 0 0 12 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.291 63.1 -93.5 -51.0 139.5 6.5 17.6 22.8 155 188 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -151,-0.3 -0.231 49.1 -89.3 -62.1 154.2 5.0 14.7 20.9 156 189 A V + 0 0 10 19,-0.5 22,-0.2 1,-0.2 -151,-0.2 -0.494 45.4 178.6 -66.8 122.5 7.6 12.2 19.4 157 190 A D + 0 0 30 -153,-2.6 23,-2.4 -2,-0.3 2,-0.3 0.737 63.5 18.6 -92.5 -30.8 8.5 13.5 15.9 158 191 A L E -be 5 180A 0 -154,-1.4 -152,-2.7 21,-0.2 2,-0.5 -0.996 55.8-159.8-156.0 131.0 11.0 10.9 14.8 159 192 A V E -be 6 181A 5 21,-2.5 23,-2.9 -2,-0.3 2,-0.5 -0.981 14.0-163.4-115.8 127.1 12.0 7.4 15.9 160 193 A I E -be 7 182A 0 -154,-3.4 -152,-3.3 -2,-0.5 2,-0.5 -0.941 4.9-171.7-112.2 128.4 15.4 6.1 14.9 161 194 A R E -be 8 183A 7 21,-3.0 23,-2.5 -2,-0.5 3,-0.4 -0.955 6.2-169.7-119.8 124.0 16.3 2.5 15.0 162 195 A T + 0 0 0 -154,-2.0 -152,-0.4 -2,-0.5 3,-0.4 -0.476 57.8 56.4 -96.1 164.7 19.9 1.4 14.4 163 196 A G S S- 0 0 9 23,-2.5 22,-0.2 1,-0.2 -1,-0.2 0.511 108.8 -84.3 99.8 -1.6 21.3 -2.0 13.9 164 197 A G S S+ 0 0 11 20,-2.3 -1,-0.2 -3,-0.4 2,-0.2 0.142 84.9 122.9 99.3 -21.8 19.3 -3.1 10.9 165 198 A E - 0 0 56 -3,-0.4 2,-0.6 19,-0.1 -1,-0.2 -0.525 50.7-145.1 -78.4 151.0 15.9 -4.5 12.2 166 199 A H + 0 0 42 -2,-0.2 228,-2.8 17,-0.1 2,-0.3 -0.526 60.8 93.8-115.4 68.9 12.7 -3.0 11.0 167 200 A R - 0 0 60 -2,-0.6 226,-0.1 226,-0.2 223,-0.1 -0.969 67.7-135.2-154.1 155.1 10.4 -3.2 14.0 168 201 A I > - 0 0 3 221,-0.5 3,-1.7 224,-0.4 223,-0.1 0.646 33.1-156.2 -85.0 -25.9 9.3 -1.1 17.0 169 202 A S T 3 - 0 0 11 1,-0.3 222,-0.2 223,-0.2 221,-0.1 0.843 65.2 -57.7 51.6 41.3 9.8 -4.1 19.3 170 203 A N T 3 S+ 0 0 13 220,-1.9 -56,-2.8 219,-0.1 -1,-0.3 0.792 100.5 134.1 59.4 30.6 7.3 -2.7 21.9 171 204 A F S < S- 0 0 3 -3,-1.7 -57,-0.4 1,-0.4 -56,-0.1 0.171 76.8 -17.3 -69.5-151.1 9.1 0.6 22.4 172 205 A L S S+ 0 0 1 1,-0.2 -1,-0.4 -58,-0.1 -58,-0.1 -0.239 70.1 161.1 -56.6 141.9 6.7 3.5 22.4 173 206 A L S > S+ 0 0 1 -59,-0.2 3,-1.1 -3,-0.1 -1,-0.2 0.531 71.4 41.2-129.2 -67.2 3.3 2.6 20.8 174 207 A W G > S+ 0 0 1 -60,-0.2 3,-1.1 1,-0.2 154,-0.1 0.907 117.0 52.8 -46.2 -49.0 0.7 5.1 21.8 175 208 A Q G 3 S+ 0 0 19 1,-0.2 -19,-0.5 2,-0.1 3,-0.3 0.607 101.3 57.8 -69.8 -17.5 3.2 8.0 21.4 176 209 A I G X + 0 0 3 -3,-1.1 3,-1.1 1,-0.2 205,-0.5 0.233 61.5 120.4-104.9 17.1 4.4 7.2 17.8 177 210 A A T < S+ 0 0 0 -3,-1.1 206,-1.7 1,-0.3 205,-0.4 0.812 93.9 20.3 -47.3 -33.8 1.0 7.3 16.0 178 211 A Y T 3 S+ 0 0 130 -3,-0.3 -1,-0.3 -22,-0.2 2,-0.2 0.225 95.3 124.3-125.6 13.4 2.4 10.1 13.8 179 212 A A < - 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