==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JAN-07 2E9A . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.T.GUO,T.P.KO,R.CAO,P.H.LIANG,E.OLDFIELD,A.H.J.WANG . 432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 13.2 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 . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 0 2 0 0 0 0 0 3 0 1 1 3 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 3 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 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 14 A P > 0 0 88 0, 0.0 3,-2.6 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 173.4 28.4 13.0 51.1 2 15 A A T 3 + 0 0 111 1,-0.3 46,-0.0 2,-0.1 0, 0.0 0.830 360.0 58.9 -50.6 -43.0 24.7 13.4 52.0 3 16 A H T 3 S- 0 0 21 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.578 100.5-135.7 -68.2 -4.1 24.6 17.1 51.5 4 17 A G < + 0 0 39 -3,-2.6 2,-0.6 1,-0.2 -2,-0.1 0.550 59.8 134.4 63.8 8.2 25.6 16.5 47.8 5 18 A C + 0 0 0 1,-0.2 45,-0.2 -4,-0.0 -1,-0.2 -0.764 23.0 164.3 -96.3 117.3 28.1 19.4 48.1 6 19 A R + 0 0 109 -2,-0.6 45,-1.9 1,-0.3 44,-1.4 0.801 68.3 29.1-100.5 -30.6 31.6 18.8 46.7 7 20 A H E -a 51 0A 0 160,-0.3 162,-2.7 43,-0.2 163,-1.3 -0.984 62.2-174.3-139.5 122.9 33.0 22.3 46.4 8 21 A V E -ab 52 170A 0 43,-2.1 45,-2.8 -2,-0.4 2,-0.4 -0.935 6.0-162.8-117.1 134.0 32.1 25.3 48.5 9 22 A A E -ab 53 171A 0 161,-3.3 163,-3.0 -2,-0.4 2,-0.4 -0.974 9.6-162.4-115.1 135.0 33.4 28.9 47.9 10 23 A I E -ab 54 172A 0 43,-3.1 45,-2.8 -2,-0.4 2,-0.9 -0.971 16.8-155.2-123.9 128.8 33.2 31.5 50.7 11 24 A I E -ab 55 173A 0 161,-3.0 163,-2.1 -2,-0.4 2,-0.6 -0.911 26.0-152.2 -94.8 107.7 33.4 35.3 50.5 12 25 A M E +a 56 0A 11 43,-3.4 45,-2.9 -2,-0.9 2,-0.3 -0.767 29.5 153.3 -87.3 119.5 34.6 36.1 54.0 13 26 A D + 0 0 9 -2,-0.6 187,-2.0 43,-0.2 163,-0.1 -0.988 33.7 53.6-146.9 152.8 33.5 39.5 55.2 14 27 A G > + 0 0 3 -2,-0.3 4,-2.8 43,-0.3 5,-0.2 0.423 55.3 123.8 108.4 -0.8 32.7 41.4 58.3 15 28 A N H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.888 81.6 47.2 -58.7 -42.3 35.7 41.0 60.6 16 29 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 112.4 47.2 -66.1 -45.5 36.1 44.8 60.9 17 30 A R H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.922 111.2 54.2 -61.3 -44.6 32.5 45.5 61.6 18 31 A W H X S+ 0 0 31 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.935 110.7 44.5 -52.2 -52.3 32.6 42.7 64.2 19 32 A A H >X>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 3,-1.3 0.968 111.5 52.5 -59.6 -54.9 35.6 44.2 66.0 20 33 A K H ><5S+ 0 0 175 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.841 105.4 55.3 -50.2 -39.7 34.2 47.7 65.9 21 34 A K H 3<5S+ 0 0 159 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.841 108.6 48.3 -64.9 -31.3 31.0 46.4 67.5 22 35 A Q H <<5S- 0 0 106 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.484 120.8-112.9 -81.7 -9.7 33.1 45.0 70.3 23 36 A G T <<5S+ 0 0 73 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.2 0.701 77.0 130.4 80.5 21.2 34.8 48.4 70.6 24 37 A K < - 0 0 98 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.677 58.6-104.7-109.8 162.6 38.0 46.7 69.4 25 38 A I >> - 0 0 131 -2,-0.2 3,-1.7 -3,-0.1 4,-1.1 -0.383 38.5 -99.0 -81.8 161.4 40.6 47.4 66.7 26 39 A R H 3> S+ 0 0 157 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.750 118.7 65.7 -47.4 -34.5 41.0 45.6 63.4 27 40 A A H 3> S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.894 100.6 50.4 -58.7 -39.6 43.8 43.5 64.7 28 41 A F H <> S+ 0 0 55 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.873 108.7 52.0 -65.1 -39.0 41.3 41.8 67.1 29 42 A G H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.828 108.1 52.1 -67.1 -33.2 39.0 41.2 64.2 30 43 A H H X S+ 0 0 117 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.893 107.8 49.9 -72.3 -39.0 41.8 39.6 62.3 31 44 A K H X S+ 0 0 114 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.954 115.1 45.1 -63.2 -44.3 42.6 37.2 65.2 32 45 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.892 111.3 53.3 -65.8 -38.4 38.9 36.3 65.3 33 46 A G H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.891 108.4 48.5 -64.4 -39.7 38.8 36.0 61.5 34 47 A A H X S+ 0 0 38 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.911 109.6 53.3 -66.5 -41.0 41.7 33.5 61.4 35 48 A K H X S+ 0 0 116 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.7 48.5 -62.0 -35.8 40.1 31.5 64.1 36 49 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.856 109.4 52.8 -74.0 -33.1 36.9 31.4 62.0 37 50 A V H X S+ 0 0 40 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.978 108.9 49.1 -64.9 -49.7 39.0 30.3 59.0 38 51 A R H X S+ 0 0 132 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.921 113.3 47.7 -54.8 -44.7 40.6 27.4 61.0 39 52 A R H X S+ 0 0 50 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.894 111.2 49.5 -65.0 -38.5 37.1 26.3 62.2 40 53 A A H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.862 111.0 50.8 -68.4 -37.5 35.5 26.5 58.7 41 54 A V H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.943 112.9 44.0 -66.2 -47.2 38.4 24.4 57.2 42 55 A S H X S+ 0 0 57 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.910 112.3 53.9 -64.6 -42.1 38.2 21.6 59.8 43 56 A F H X S+ 0 0 13 -4,-2.3 4,-0.6 -5,-0.3 -2,-0.2 0.974 110.3 46.2 -56.0 -48.7 34.5 21.7 59.5 44 57 A A H ><>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 3,-0.9 0.891 113.5 48.5 -59.1 -44.7 34.8 21.2 55.7 45 58 A A H ><5S+ 0 0 41 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.957 111.1 50.2 -61.5 -50.8 37.4 18.4 56.1 46 59 A N H 3<5S+ 0 0 133 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.545 109.2 54.8 -65.6 -6.4 35.3 16.6 58.7 47 60 A N T <<5S- 0 0 57 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.142 113.0-106.6-117.7 22.8 32.3 16.7 56.4 48 61 A G T < 5 + 0 0 43 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.625 62.8 153.5 69.8 12.7 33.5 15.2 53.2 49 62 A I < - 0 0 6 -5,-1.9 -1,-0.2 -6,-0.2 -43,-0.2 -0.595 33.6-154.8 -73.9 138.8 33.7 18.4 51.2 50 63 A E S S+ 0 0 84 -44,-1.4 67,-2.6 -2,-0.3 2,-0.3 0.822 70.8 17.7 -82.1 -36.4 36.3 17.9 48.5 51 64 A A E -ac 7 117A 2 -45,-1.9 -43,-2.1 65,-0.2 2,-0.4 -1.000 53.9-169.6-145.0 143.9 37.3 21.6 48.0 52 65 A L E -ac 8 118A 0 65,-2.7 67,-3.0 -2,-0.3 2,-0.5 -0.996 8.6-167.2-133.6 120.4 37.0 24.8 49.9 53 66 A T E -ac 9 119A 0 -45,-2.8 -43,-3.1 -2,-0.4 2,-0.4 -0.962 9.4-162.7-114.3 124.2 37.8 28.1 48.2 54 67 A L E -ac 10 120A 5 65,-2.8 67,-2.6 -2,-0.5 2,-0.4 -0.916 10.9-175.4-112.7 134.1 38.2 31.1 50.4 55 68 A Y E -a 11 0A 35 -45,-2.8 -43,-3.4 -2,-0.4 2,-0.6 -0.989 15.3-149.1-126.6 119.5 38.1 34.8 49.4 56 69 A A E -a 12 0A 35 -2,-0.4 2,-0.5 65,-0.4 -43,-0.2 -0.796 15.6-151.6 -88.2 120.9 38.8 37.6 52.0 57 70 A F - 0 0 51 -45,-2.9 2,-0.5 -2,-0.6 -43,-0.3 -0.825 8.9-141.8 -94.3 134.2 36.8 40.7 51.1 58 71 A S 0 0 91 -2,-0.5 -45,-0.0 1,-0.2 -2,-0.0 -0.840 360.0 360.0-105.5 127.2 38.3 44.0 52.2 59 72 A S 0 0 122 -2,-0.5 -1,-0.2 0, 0.0 -46,-0.0 0.991 360.0 360.0 -67.4 360.0 36.3 46.9 53.5 60 ! 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 61 82 A V > 0 0 136 0, 0.0 4,-1.9 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 -40.7 47.3 46.8 48.3 62 83 A S T 4 + 0 0 54 2,-0.2 32,-0.0 1,-0.2 0, 0.0 0.871 360.0 43.7 -70.5 -37.4 50.3 45.0 46.8 63 84 A A T >> S+ 0 0 55 2,-0.2 3,-2.6 1,-0.2 4,-2.3 0.912 108.1 57.5 -73.9 -45.2 51.8 44.8 50.3 64 85 A L H 3> S+ 0 0 106 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.948 103.8 52.2 -51.2 -52.0 48.6 43.8 52.0 65 86 A M H 3< S+ 0 0 49 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.445 109.3 54.5 -66.3 3.5 48.3 40.7 49.7 66 87 A E H <> S+ 0 0 85 -3,-2.6 4,-3.2 2,-0.1 5,-0.2 0.835 108.5 43.7 -94.4 -62.5 51.9 40.0 50.9 67 88 A L H X S+ 0 0 119 -4,-2.3 4,-3.5 1,-0.2 3,-0.5 0.949 114.5 52.7 -42.1 -64.3 51.2 40.1 54.6 68 89 A F H X S+ 0 0 82 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.873 116.8 35.9 -38.9 -60.0 48.0 38.0 54.0 69 90 A V H 4 S+ 0 0 8 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.764 115.7 57.1 -72.4 -23.3 49.8 35.3 52.1 70 91 A W H >< S+ 0 0 108 -4,-3.2 3,-2.1 -3,-0.5 4,-0.4 0.934 104.0 51.8 -71.7 -44.5 52.9 35.6 54.3 71 92 A A H >X S+ 0 0 71 -4,-3.5 3,-1.4 1,-0.3 4,-0.9 0.928 99.0 65.6 -54.5 -46.3 50.9 34.9 57.4 72 93 A L H 3X S+ 0 0 32 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.3 0.608 84.9 80.4 -54.0 -10.1 49.5 31.8 55.8 73 94 A D H X> S+ 0 0 62 -3,-2.1 3,-0.9 2,-0.2 4,-0.6 0.920 88.7 46.7 -68.9 -44.5 53.1 30.5 55.9 74 95 A S H X> S+ 0 0 101 -3,-1.4 4,-0.8 -4,-0.4 3,-0.7 0.883 109.4 60.7 -62.7 -32.7 53.1 29.3 59.5 75 96 A E H 3X S+ 0 0 43 -4,-0.9 4,-2.6 1,-0.2 -1,-0.3 0.737 85.2 76.9 -65.6 -24.7 49.8 27.8 58.6 76 97 A V H <>S+ 0 0 17 -4,-2.6 5,-2.0 2,-0.2 3,-0.6 0.921 110.1 49.7 -61.9 -44.1 47.6 22.3 57.1 80 101 A H H ><5S+ 0 0 67 -4,-2.8 3,-2.6 1,-0.3 -1,-0.2 0.948 108.4 52.9 -58.0 -48.2 50.0 19.6 55.8 81 102 A R H 3<5S+ 0 0 181 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.742 105.2 56.6 -61.2 -20.0 49.7 17.8 59.1 82 103 A H T <<5S- 0 0 126 -4,-1.1 -1,-0.3 -3,-0.6 34,-0.3 0.313 116.3-116.0 -93.4 8.8 45.9 17.9 58.6 83 104 A N T < 5 + 0 0 64 -3,-2.6 32,-1.3 1,-0.2 2,-0.4 0.862 65.0 149.9 61.2 38.5 46.3 16.2 55.2 84 105 A V < - 0 0 2 -5,-2.0 2,-0.6 31,-0.2 -1,-0.2 -0.814 43.7-136.0-102.2 141.2 44.9 19.3 53.4 85 106 A R E -d 117 0A 68 31,-2.7 33,-2.9 -2,-0.4 2,-0.3 -0.878 24.6-149.8-101.2 124.0 46.1 20.1 49.9 86 107 A L E +d 118 0A 4 -2,-0.6 2,-0.3 20,-0.4 33,-0.2 -0.718 21.6 168.4-102.0 142.0 46.9 23.7 49.5 87 108 A R E -d 119 0A 77 31,-1.9 33,-2.8 -2,-0.3 2,-0.5 -0.994 22.3-147.0-146.9 141.4 46.6 26.0 46.4 88 109 A I E -d 120 0A 25 -2,-0.3 2,-0.4 31,-0.2 33,-0.2 -0.949 16.9-167.3-108.4 126.6 46.8 29.7 46.0 89 110 A I E +d 121 0A 14 31,-2.3 33,-2.3 -2,-0.5 2,-0.2 -0.936 42.8 61.0-113.2 140.9 44.6 31.2 43.2 90 111 A G S S- 0 0 11 -2,-0.4 2,-1.3 31,-0.2 34,-0.3 -0.815 94.5 -43.6 138.9 179.0 45.1 34.7 41.9 91 112 A D + 0 0 43 32,-3.4 3,-0.4 -2,-0.2 -2,-0.1 -0.669 60.1 148.9 -87.1 89.9 47.6 37.0 40.3 92 113 A T > + 0 0 30 -2,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.240 42.9 103.0-102.1 10.2 50.8 36.3 42.1 93 114 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.681 82.4 50.7 -65.3 -19.2 52.9 37.0 39.0 94 115 A R T 3 S+ 0 0 161 -3,-0.4 2,-0.3 2,-0.1 -1,-0.3 0.261 88.2 105.1-102.0 8.4 53.8 40.4 40.6 95 116 A F S < S- 0 0 15 -3,-1.7 5,-0.1 1,-0.1 -3,-0.0 -0.719 87.7 -95.1 -89.1 139.0 54.8 38.8 43.9 96 117 A N > - 0 0 80 -2,-0.3 4,-1.4 1,-0.2 3,-0.3 -0.130 40.3-111.1 -48.4 153.3 58.6 38.6 44.6 97 118 A S H > S+ 0 0 94 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.439 112.1 69.7 -74.5 2.1 59.9 35.2 43.5 98 119 A R H >> S+ 0 0 161 2,-0.2 4,-3.6 3,-0.1 3,-0.7 0.943 103.5 43.3 -77.0 -54.3 60.7 34.0 47.0 99 120 A L H 3> S+ 0 0 6 -3,-0.3 4,-5.2 1,-0.3 5,-0.3 0.923 110.9 55.0 -52.2 -51.8 56.9 33.8 47.7 100 121 A Q H 3X S+ 0 0 74 -4,-1.4 4,-1.7 2,-0.2 -1,-0.3 0.798 113.5 42.4 -56.4 -30.1 56.3 32.2 44.4 101 122 A E H < S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.2 -1,-0.2 0.562 90.7 104.1 -85.4 -8.5 50.6 19.2 50.2 111 132 A A T 3< S+ 0 0 46 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.752 84.1 42.0 -43.9 -36.8 50.0 18.2 46.5 112 133 A G T 3 S+ 0 0 66 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.396 83.0 121.0 -98.1 5.7 49.6 14.5 47.4 113 134 A N < - 0 0 28 -3,-2.7 -28,-0.1 -29,-0.1 -29,-0.1 -0.345 53.6-148.9 -66.4 150.1 47.5 14.9 50.5 114 135 A T + 0 0 126 -30,-0.1 -1,-0.1 3,-0.0 -30,-0.1 0.251 67.2 81.0-105.4 9.7 44.1 13.1 50.2 115 136 A G S S- 0 0 30 -32,-1.3 -31,-0.2 1,-0.3 -32,-0.1 0.043 93.6 -20.1 -92.8-148.5 42.0 15.4 52.4 116 137 A L - 0 0 5 -34,-0.3 -31,-2.7 1,-0.1 2,-0.7 -0.223 55.5-136.4 -58.2 133.0 40.4 18.7 51.8 117 138 A T E -cd 51 85A 8 -67,-2.6 -65,-2.7 -33,-0.2 2,-0.6 -0.858 24.7-163.8 -91.5 117.8 41.6 20.7 48.8 118 139 A L E -cd 52 86A 3 -33,-2.9 -31,-1.9 -2,-0.7 2,-0.5 -0.923 5.2-167.3-107.7 115.4 41.8 24.3 50.2 119 140 A N E -cd 53 87A 2 -67,-3.0 -65,-2.8 -2,-0.6 2,-0.5 -0.891 3.9-162.2-103.2 123.8 42.1 27.1 47.6 120 141 A I E -cd 54 88A 10 -33,-2.8 -31,-2.3 -2,-0.5 2,-0.3 -0.925 12.1-138.3-112.4 123.8 43.0 30.5 48.9 121 142 A A E + d 0 89A 4 -67,-2.6 -65,-0.4 -2,-0.5 2,-0.4 -0.592 26.5 170.7 -78.4 133.1 42.4 33.6 46.8 122 143 A A S S- 0 0 0 -33,-2.3 -31,-0.1 -2,-0.3 3,-0.1 -0.927 75.5 -10.9-146.4 116.7 45.2 36.2 46.8 123 144 A N S S+ 0 0 56 -2,-0.4 -32,-3.4 1,-0.2 2,-0.3 0.952 99.3 159.4 56.7 46.6 45.1 39.1 44.4 124 145 A Y + 0 0 13 -34,-0.3 2,-0.3 -35,-0.1 -1,-0.2 -0.803 21.2 173.8-105.2 146.6 42.2 37.2 42.7 125 146 A G > - 0 0 7 -2,-0.3 4,-2.0 -3,-0.1 58,-0.2 -0.982 32.0-136.5-145.9 142.7 39.6 38.7 40.4 126 147 A G H > S+ 0 0 0 56,-2.3 4,-1.8 -2,-0.3 60,-0.3 0.878 107.9 46.2 -69.9 -38.4 37.0 36.9 38.5 127 148 A R H > S+ 0 0 42 2,-0.2 4,-2.9 55,-0.2 -1,-0.2 0.913 111.5 52.0 -66.8 -43.0 37.5 38.9 35.3 128 149 A W H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.914 107.5 54.1 -57.0 -44.8 41.3 38.6 35.6 129 150 A D H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.933 109.8 45.2 -56.7 -50.3 40.8 34.8 35.9 130 151 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.930 113.1 53.6 -61.8 -42.1 38.8 34.7 32.7 131 152 A V H X S+ 0 0 2 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.909 105.7 49.7 -59.7 -46.6 41.5 37.0 31.0 132 153 A Q H X S+ 0 0 40 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.887 111.5 50.3 -64.6 -32.8 44.5 34.8 31.9 133 154 A G H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.3 -1,-0.3 0.907 110.9 49.9 -69.1 -36.9 42.7 31.9 30.5 134 155 A V H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 3,-0.5 0.932 106.7 53.4 -66.2 -44.8 42.0 33.9 27.4 135 156 A R H X S+ 0 0 73 -4,-3.1 4,-2.3 1,-0.3 -1,-0.2 0.931 105.6 55.8 -54.4 -45.9 45.6 35.0 27.0 136 157 A Q H X S+ 0 0 81 -4,-2.1 4,-1.4 1,-0.3 -1,-0.3 0.832 109.2 45.7 -56.3 -36.7 46.5 31.3 27.1 137 158 A L H X S+ 0 0 1 -4,-1.4 4,-1.2 -3,-0.5 -1,-0.3 0.827 108.5 56.7 -75.0 -32.2 44.2 30.6 24.2 138 159 A A H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.883 103.1 55.2 -64.6 -37.9 45.6 33.7 22.3 139 160 A E H X S+ 0 0 77 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.978 106.0 50.0 -58.4 -53.8 49.1 32.2 22.6 140 161 A K H <>S+ 0 0 94 -4,-1.4 5,-2.0 1,-0.2 6,-1.9 0.795 110.7 52.5 -56.8 -25.7 47.9 28.9 20.9 141 162 A V H ><5S+ 0 0 5 -4,-1.2 3,-2.7 4,-0.2 -1,-0.2 0.968 106.2 50.1 -73.2 -51.9 46.3 31.1 18.2 142 163 A Q H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.683 107.3 58.4 -57.4 -20.7 49.5 33.1 17.5 143 164 A Q T 3<5S- 0 0 125 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.341 112.0-121.5 -90.7 2.1 51.2 29.6 17.3 144 165 A G T < 5S+ 0 0 60 -3,-2.7 -3,-0.2 2,-0.2 -2,-0.1 0.733 88.3 104.9 64.8 19.5 48.9 28.6 14.5 145 166 A N S > - 0 0 80 -2,-0.5 3,-4.2 1,-0.1 4,-0.6 -0.878 24.3-129.0 -97.8 119.8 41.6 28.3 15.0 148 169 A P G >4 S+ 0 0 1 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.788 107.9 58.7 -33.5 -42.9 39.3 30.9 16.6 149 170 A D G 34 S+ 0 0 116 1,-0.3 200,-0.0 200,-0.1 -3,-0.0 0.614 95.9 61.7 -70.2 -10.4 36.2 29.0 15.6 150 171 A Q G <4 S+ 0 0 95 -3,-4.2 2,-0.5 199,-0.1 -1,-0.3 0.648 80.7 104.2 -87.1 -16.0 37.4 25.9 17.5 151 172 A I << + 0 0 1 -3,-1.3 2,-0.2 -4,-0.6 198,-0.1 -0.523 46.8 155.9 -69.6 117.0 37.2 27.9 20.7 152 173 A D > - 0 0 58 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.693 56.6 -85.5-129.7-173.9 34.1 26.9 22.8 153 174 A E H > S+ 0 0 57 -2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.969 123.4 52.7 -57.6 -60.1 33.0 27.0 26.4 154 175 A E H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.814 109.9 50.4 -46.7 -38.8 34.5 23.7 27.4 155 176 A M H >4 S+ 0 0 48 2,-0.2 3,-0.5 1,-0.2 4,-0.4 0.940 113.0 43.2 -70.0 -46.8 37.9 24.8 26.0 156 177 A L H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.889 107.4 63.4 -65.1 -34.5 37.9 28.1 27.9 157 178 A N H >< S+ 0 0 52 -4,-3.3 3,-1.0 1,-0.3 -1,-0.2 0.839 94.7 60.3 -58.7 -33.4 36.7 26.2 30.8 158 179 A Q T << S+ 0 0 102 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.634 106.1 48.7 -66.3 -17.2 40.0 24.2 30.8 159 180 A H T < S+ 0 0 40 -3,-2.0 2,-0.3 -4,-0.4 -1,-0.2 0.259 88.4 93.1-111.0 10.6 41.9 27.4 31.3 160 181 A V S X S- 0 0 2 -3,-1.0 3,-1.5 -4,-0.3 -30,-0.1 -0.731 90.7 -77.6-100.8 155.9 40.2 29.1 34.2 161 182 A C T 3 S+ 0 0 21 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.162 113.3 12.5 -50.9 138.6 41.3 28.6 37.8 162 183 A M T > S+ 0 0 15 1,-0.1 3,-1.4 -4,-0.1 -1,-0.2 0.627 74.9 142.5 69.7 18.7 40.2 25.4 39.5 163 184 A H T < + 0 0 89 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.829 69.7 58.1 -58.4 -29.2 39.1 23.6 36.3 164 185 A E T 3 S+ 0 0 98 -6,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.663 97.4 74.5 -78.6 -11.7 40.5 20.4 37.6 165 186 A L S < S- 0 0 23 -3,-1.4 3,-0.1 1,-0.2 -158,-0.1 -0.521 100.9 -77.6 -96.3 164.0 38.4 20.4 40.7 166 187 A A - 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