==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAR-05 1X08 . COMPND 2 MOLECULE: UNDECAPRENYL PYROPHOSPHATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.-T.GUO,T.-P.KO,A.P.-C.CHEN,C.-J.KUO,A.H.-J.WANG,P.-H.LIANG . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 14.0 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 2 0 0 0 0 0 1 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 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 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 13 A L 0 0 202 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 133.7 19.8 -2.9 45.7 2 14 A P > - 0 0 22 0, 0.0 3,-3.4 0, 0.0 47,-0.2 0.250 360.0 -92.3 -24.1 121.1 20.0 -1.7 42.0 3 15 A A G > S- 0 0 9 45,-1.7 3,-1.4 1,-0.3 45,-0.1 -0.226 106.5 -14.8 -45.1 111.9 16.5 -1.1 40.7 4 16 A H G 3 S- 0 0 88 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.771 125.2 -61.7 58.4 32.4 15.7 -4.4 39.1 5 17 A G G < S+ 0 0 53 -3,-3.4 2,-0.7 -4,-0.2 -1,-0.2 0.658 94.0 142.4 72.9 16.1 19.4 -5.6 39.1 6 18 A C < + 0 0 0 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.2 -0.814 22.1 176.3 -92.8 111.7 20.7 -2.7 36.9 7 19 A R + 0 0 95 -2,-0.7 45,-1.6 1,-0.2 44,-1.2 0.780 66.0 26.4 -85.5 -29.8 24.2 -1.6 38.1 8 20 A H E -a 52 0A 1 43,-0.2 170,-2.6 168,-0.2 171,-1.6 -0.927 62.2-173.5-146.2 115.5 25.2 1.0 35.5 9 21 A V E -ab 53 179A 0 43,-1.9 45,-2.5 -2,-0.4 2,-0.4 -0.859 4.1-166.6-109.9 137.8 22.9 3.1 33.4 10 22 A A E -ab 54 180A 0 169,-2.7 171,-2.7 -2,-0.4 2,-0.4 -0.988 9.0-158.2-124.3 138.6 24.2 5.4 30.6 11 23 A I E -ab 55 181A 0 43,-3.2 45,-2.9 -2,-0.4 2,-0.9 -0.958 19.1-152.6-125.9 132.7 22.0 8.0 29.1 12 24 A I E -ab 56 182A 8 169,-3.2 2,-2.0 -2,-0.4 171,-1.7 -0.881 25.3-150.2 -94.5 104.1 22.1 9.8 25.7 13 25 A M + 0 0 26 -2,-0.9 3,-0.3 43,-0.9 2,-0.2 -0.466 39.0 149.0 -80.1 70.8 20.3 13.0 26.8 14 26 A A + 0 0 20 -2,-2.0 195,-2.0 169,-0.3 171,-0.1 -0.545 31.4 59.7-106.5 170.3 18.7 14.0 23.5 15 27 A G > + 0 0 10 193,-0.2 4,-2.1 -2,-0.2 -1,-0.2 0.494 61.9 121.4 94.7 4.8 15.6 15.7 22.3 16 28 A N H > S+ 0 0 15 -3,-0.3 4,-1.8 2,-0.2 5,-0.2 0.874 78.2 46.2 -66.2 -40.0 16.3 19.1 24.1 17 29 A G H > S+ 0 0 16 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.923 113.9 48.4 -67.4 -48.4 16.2 21.0 20.8 18 30 A R H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.909 110.9 51.8 -56.3 -41.6 13.0 19.3 19.7 19 31 A W H < S+ 0 0 35 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.883 114.6 41.2 -64.7 -40.2 11.5 20.0 23.1 20 32 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 3,-1.3 0.880 111.6 55.9 -74.5 -40.2 12.3 23.7 22.9 21 33 A K H ><5S+ 0 0 169 -4,-3.2 3,-2.2 1,-0.3 -2,-0.2 0.903 98.8 61.3 -61.8 -38.0 11.3 24.0 19.2 22 34 A K T 3<5S+ 0 0 149 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.685 109.0 44.1 -60.2 -20.4 7.8 22.7 19.9 23 35 A Q T < 5S- 0 0 87 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.188 123.9-102.7-108.4 11.0 7.3 25.7 22.2 24 36 A G T < 5S+ 0 0 74 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.690 82.6 123.3 77.9 21.3 8.9 28.2 19.7 25 37 A K < - 0 0 97 -5,-2.8 -1,-0.3 -8,-0.1 -2,-0.2 -0.737 61.5-100.6-117.9 164.7 12.2 28.4 21.6 26 38 A I >> - 0 0 127 -2,-0.2 3,-1.2 -3,-0.1 4,-1.1 -0.302 35.4-105.0 -83.1 164.0 15.8 27.9 20.8 27 39 A R H 3> S+ 0 0 103 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.835 116.6 62.8 -52.8 -40.8 18.0 24.9 21.6 28 40 A A H 3> S+ 0 0 27 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.815 99.1 55.1 -57.3 -34.5 19.8 26.6 24.5 29 41 A F H <> S+ 0 0 90 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.885 109.3 47.8 -66.7 -36.6 16.4 27.0 26.3 30 42 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.867 107.9 54.0 -73.0 -35.9 16.0 23.2 26.1 31 43 A H H X S+ 0 0 29 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.913 109.1 49.1 -65.4 -39.0 19.5 22.5 27.3 32 44 A K H >X S+ 0 0 125 -4,-1.9 4,-0.7 2,-0.2 3,-0.6 0.920 112.0 47.3 -63.7 -45.7 18.9 24.6 30.4 33 45 A A H >X S+ 0 0 12 -4,-2.0 4,-1.0 1,-0.2 3,-0.8 0.854 104.9 63.4 -63.9 -29.6 15.6 22.7 31.0 34 46 A G H 3X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.827 90.7 65.7 -61.7 -34.5 17.7 19.6 30.4 35 47 A A H <>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-0.9 0.935 113.2 48.0 -60.8 -52.4 19.8 6.7 40.5 46 58 A A H ><5S+ 0 0 35 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.858 114.3 47.9 -58.5 -34.5 21.4 7.6 43.9 47 59 A N H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.563 110.1 52.4 -84.6 -7.2 18.1 6.6 45.7 48 60 A N T <<5S- 0 0 54 -3,-0.9 -45,-1.7 -4,-0.7 -1,-0.2 0.042 114.3-104.3-117.8 25.0 17.6 3.4 43.9 49 61 A G T < 5 + 0 0 34 -3,-0.7 2,-0.3 -47,-0.2 -3,-0.2 0.620 61.9 157.0 68.1 16.2 20.9 1.7 44.4 50 62 A I < - 0 0 6 -5,-1.8 -1,-0.2 -6,-0.2 -43,-0.2 -0.596 32.7-152.1 -74.6 135.7 22.4 2.2 41.0 51 63 A E S S+ 0 0 100 -44,-1.2 75,-2.3 -2,-0.3 2,-0.3 0.817 73.1 12.4 -77.5 -37.8 26.3 2.1 41.2 52 64 A A E -ac 8 126A 1 -45,-1.6 -43,-1.9 73,-0.2 2,-0.4 -0.997 55.2-167.5-143.8 144.1 27.1 4.4 38.2 53 65 A L E -ac 9 127A 0 73,-2.4 75,-2.7 -2,-0.3 2,-0.5 -0.999 11.6-167.7-130.3 124.6 25.1 6.8 36.0 54 66 A T E -ac 10 128A 0 -45,-2.5 -43,-3.2 -2,-0.4 2,-0.4 -0.971 4.9-165.6-121.9 118.6 26.9 8.0 32.9 55 67 A L E -ac 11 129A 0 73,-2.7 75,-2.7 -2,-0.5 2,-0.9 -0.899 20.0-136.7-113.5 130.7 25.4 11.0 30.9 56 68 A Y E +ac 12 130A 18 -45,-2.9 -43,-0.9 -2,-0.4 75,-0.1 -0.739 39.4 156.3 -87.4 106.6 26.2 12.1 27.4 57 69 A A E + 0 0 22 73,-2.4 2,-0.3 -2,-0.9 74,-0.2 0.642 65.3 9.6-106.3 -23.4 26.4 15.9 27.9 58 70 A F E - c 0 131A 0 72,-1.7 74,-2.2 75,-0.0 75,-1.7 -0.767 66.5-151.4-163.8 110.1 28.6 17.1 25.0 59 71 A S E > - c 0 133A 9 -2,-0.3 3,-1.3 73,-0.2 75,-0.2 -0.433 29.4-117.1 -78.7 156.5 29.8 14.9 22.1 60 72 A S G > S+ 0 0 47 73,-1.6 3,-0.5 1,-0.3 74,-0.1 0.683 117.3 59.3 -70.2 -11.7 33.1 15.8 20.4 61 73 A E G > S+ 0 0 124 72,-0.3 3,-1.6 1,-0.2 -1,-0.3 0.707 83.3 80.6 -88.5 -12.2 31.0 16.5 17.3 62 74 A N G X + 0 0 30 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.473 66.5 87.4 -72.2 2.7 28.9 19.2 19.0 63 75 A W G < S+ 0 0 108 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.808 82.5 62.2 -70.5 -21.0 31.7 21.8 18.5 64 76 A N G < S+ 0 0 124 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.408 80.2 103.6 -85.6 8.3 30.0 22.3 15.1 65 77 A R S < S- 0 0 82 -3,-1.6 5,-0.1 1,-0.2 2,-0.0 -0.319 95.2 -61.4 -77.4 171.5 26.7 23.5 16.7 66 78 A P >> - 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-1.7 -0.313 49.5-120.7 -58.5 134.3 26.1 27.3 16.6 67 79 A A H 3> S+ 0 0 70 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.818 113.0 49.8 -41.9 -43.2 28.7 29.3 18.5 68 80 A Q H 3> S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.787 109.1 51.3 -71.9 -28.8 26.1 30.8 20.8 69 81 A E H <> S+ 0 0 13 -3,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.916 112.9 47.1 -71.4 -44.0 24.6 27.4 21.5 70 82 A V H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.948 112.6 47.8 -62.6 -50.7 28.0 26.0 22.4 71 83 A S H X S+ 0 0 76 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.913 110.0 52.4 -57.2 -45.2 28.9 29.0 24.6 72 84 A A H X S+ 0 0 45 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.886 110.0 51.1 -58.7 -35.5 25.6 28.8 26.5 73 85 A L H X S+ 0 0 16 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.919 108.4 49.4 -66.9 -46.4 26.4 25.1 27.0 74 86 A M H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.923 111.7 49.2 -60.6 -41.6 29.8 25.8 28.4 75 87 A E H X S+ 0 0 96 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.847 107.9 55.0 -67.2 -29.5 28.3 28.4 30.8 76 88 A L H X S+ 0 0 32 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.886 108.4 49.1 -69.2 -36.9 25.7 25.8 31.8 77 89 A F H X S+ 0 0 37 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.913 112.1 47.0 -67.6 -43.5 28.4 23.4 32.8 78 90 A V H X S+ 0 0 4 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.951 111.5 52.4 -61.1 -46.8 30.3 25.9 34.8 79 91 A W H X S+ 0 0 137 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.893 110.1 47.6 -56.6 -44.4 27.1 26.9 36.4 80 92 A A H X>S+ 0 0 38 -4,-2.3 4,-2.8 1,-0.2 5,-0.7 0.900 107.8 54.6 -66.8 -39.3 26.4 23.3 37.4 81 93 A L H <5S+ 0 0 26 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.797 113.9 44.6 -65.3 -23.0 29.9 22.7 38.8 82 94 A D H <5S+ 0 0 84 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.776 122.1 34.4 -86.6 -34.2 29.3 25.8 41.0 83 95 A S H <5S+ 0 0 55 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.795 122.5 34.1 -97.0 -30.6 25.8 25.0 42.1 84 96 A E T X5S+ 0 0 68 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.664 90.8 86.7-102.3 -16.0 25.5 21.3 42.5 85 97 A V H > S+ 0 0 135 1,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.940 113.5 48.7 -59.8 -43.3 28.3 20.7 47.4 87 99 A S H > S+ 0 0 29 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.917 109.6 50.0 -64.0 -44.0 25.0 18.8 47.1 88 100 A L H <>S+ 0 0 21 -4,-2.8 5,-2.6 1,-0.2 -1,-0.2 0.940 112.2 51.2 -59.4 -42.2 26.7 15.9 45.2 89 101 A H H ><5S+ 0 0 74 -4,-2.7 3,-1.8 -5,-0.3 -2,-0.2 0.952 108.5 48.3 -60.6 -48.4 29.3 15.9 47.9 90 102 A R H 3<5S+ 0 0 184 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.1 54.6 -59.8 -30.8 26.6 15.7 50.7 91 103 A H T 3<5S- 0 0 113 -4,-2.0 34,-0.4 -5,-0.2 -1,-0.3 0.275 115.5-114.4 -88.6 7.1 24.9 12.9 48.8 92 104 A N T < 5 + 0 0 63 -3,-1.8 32,-2.4 1,-0.2 2,-0.4 0.776 62.5 154.4 67.4 31.0 28.1 10.8 48.7 93 105 A V < - 0 0 1 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.2 -0.719 37.8-144.2 -93.2 135.8 28.3 11.0 44.9 94 106 A R E -d 126 0A 72 31,-2.7 33,-2.8 -2,-0.4 2,-0.4 -0.904 18.4-148.8-100.8 117.4 31.6 10.6 43.3 95 107 A L E +d 127 0A 7 -2,-0.7 2,-0.4 20,-0.3 33,-0.2 -0.717 21.1 170.8 -93.3 130.6 31.9 12.9 40.2 96 108 A R E -d 128 0A 109 31,-2.8 33,-2.6 -2,-0.4 2,-0.5 -0.995 20.0-152.8-134.8 142.3 34.0 12.1 37.2 97 109 A I E -d 129 0A 17 -2,-0.4 2,-0.4 31,-0.2 33,-0.2 -0.951 14.7-165.7-110.1 131.0 34.1 13.8 33.8 98 110 A I E +d 130 0A 15 31,-2.4 33,-2.5 -2,-0.5 2,-0.2 -0.958 45.8 59.5-117.3 143.7 35.1 11.6 30.9 99 111 A G S S- 0 0 13 -2,-0.4 2,-1.4 31,-0.2 34,-0.3 -0.760 100.6 -44.1 131.2-179.7 36.2 13.0 27.5 100 112 A D > + 0 0 24 32,-2.6 3,-1.2 -2,-0.2 4,-0.1 -0.630 55.3 170.9 -88.4 85.5 39.0 15.3 26.3 101 113 A T G > + 0 0 42 -2,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.633 61.4 83.9 -72.7 -15.5 38.9 18.1 28.9 102 114 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.637 86.2 59.4 -60.3 -15.3 42.1 19.7 27.6 103 115 A R G < S+ 0 0 159 -3,-1.2 -1,-0.3 29,-0.1 -2,-0.2 0.487 87.2 92.4 -94.7 -2.8 39.9 21.5 25.0 104 116 A F S < S- 0 0 10 -3,-1.9 5,-0.0 1,-0.1 -3,-0.0 -0.461 88.6 -85.2 -86.7 164.4 37.7 23.3 27.5 105 117 A N > - 0 0 68 -2,-0.1 4,-2.7 1,-0.1 3,-0.4 -0.274 42.1-107.0 -66.7 153.8 38.4 26.8 28.8 106 118 A S H > S+ 0 0 102 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 118.1 48.9 -43.9 -55.3 40.7 27.3 31.9 107 119 A R H > S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.851 111.7 50.1 -59.9 -38.0 38.0 28.1 34.3 108 120 A L H > S+ 0 0 2 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.946 112.3 47.5 -67.0 -47.1 36.0 25.1 33.2 109 121 A Q H X S+ 0 0 69 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.862 111.2 50.5 -59.5 -40.8 39.0 22.8 33.5 110 122 A E H X S+ 0 0 72 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.874 111.5 49.1 -65.3 -40.0 39.9 24.1 37.0 111 123 A R H X S+ 0 0 68 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.893 110.2 49.8 -68.4 -39.6 36.4 23.6 38.2 112 124 A I H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.967 111.3 49.6 -61.2 -50.3 36.2 20.0 36.9 113 125 A R H X S+ 0 0 134 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.884 113.8 45.4 -56.5 -41.2 39.5 19.2 38.6 114 126 A K H X S+ 0 0 125 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.891 112.1 49.8 -73.5 -37.1 38.3 20.6 41.9 115 127 A S H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -20,-0.3 0.879 112.2 47.8 -68.3 -38.2 34.9 19.0 41.9 116 128 A E H X S+ 0 0 25 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.914 113.4 49.6 -67.4 -39.3 36.4 15.6 41.1 117 129 A A H >< S+ 0 0 63 -4,-1.7 3,-0.8 -5,-0.3 4,-0.4 0.933 108.3 52.6 -65.7 -46.2 39.0 16.1 43.9 118 130 A L H 3< S+ 0 0 75 -4,-2.7 3,-0.3 1,-0.2 -1,-0.2 0.862 120.7 31.6 -57.7 -36.9 36.3 17.1 46.4 119 131 A T H >< S+ 0 0 1 -4,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.333 84.5 107.5-106.2 4.2 34.3 13.9 45.7 120 132 A A T << S+ 0 0 62 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.1 0.824 82.9 47.6 -53.2 -33.1 37.0 11.5 44.9 121 133 A G T 3 S+ 0 0 67 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.429 84.6 120.1 -91.0 2.5 36.6 9.7 48.2 122 134 A N < - 0 0 22 -3,-2.0 -28,-0.1 -29,-0.2 -29,-0.1 -0.401 45.8-163.2 -68.5 147.2 32.8 9.4 48.0 123 135 A T + 0 0 115 -2,-0.1 -30,-0.1 -30,-0.1 3,-0.1 0.243 59.4 73.5-118.9 11.8 31.4 5.9 48.0 124 136 A G S S- 0 0 34 -32,-2.4 -31,-0.2 1,-0.3 -32,-0.1 0.354 97.7 -5.3 -95.3-128.5 27.8 6.1 46.7 125 137 A L - 0 0 6 -34,-0.4 -31,-2.7 -83,-0.1 2,-0.6 -0.358 62.2-141.6 -64.1 136.9 26.8 6.7 43.1 126 138 A T E -cd 52 94A 5 -75,-2.3 -73,-2.4 -33,-0.2 2,-0.6 -0.917 17.8-160.1 -97.6 127.5 29.6 7.4 40.7 127 139 A L E -cd 53 95A 7 -33,-2.8 -31,-2.8 -2,-0.6 2,-0.5 -0.935 5.6-168.0-112.0 116.2 28.3 10.0 38.3 128 140 A N E -cd 54 96A 0 -75,-2.7 -73,-2.7 -2,-0.6 2,-0.6 -0.909 5.4-162.7-105.5 125.0 30.2 10.2 35.0 129 141 A I E -cd 55 97A 33 -33,-2.6 -31,-2.4 -2,-0.5 2,-0.8 -0.949 12.2-147.7-107.1 114.4 29.5 13.2 32.8 130 142 A A E +cd 56 98A 0 -75,-2.7 -73,-2.4 -2,-0.6 -72,-1.7 -0.799 28.7 169.7 -86.6 110.3 30.8 12.5 29.2 131 143 A A E -c 58 0A 4 -33,-2.5 -72,-0.2 -2,-0.8 3,-0.1 -0.993 67.8 -0.7-131.4 123.6 31.9 15.9 27.9 132 144 A N E S+ 0 0 9 -74,-2.2 -32,-2.6 -2,-0.4 2,-0.3 0.896 104.6 152.9 57.9 46.6 33.9 16.4 24.7 133 145 A Y E +c 59 0A 0 -75,-1.7 -73,-1.6 -34,-0.3 2,-0.3 -0.811 29.2 172.9-113.1 145.8 33.6 12.6 24.6 134 146 A G > - 0 0 0 -2,-0.3 4,-2.3 -75,-0.2 58,-0.2 -0.980 31.8-135.6-145.3 141.3 33.6 10.2 21.7 135 147 A G H > S+ 0 0 0 56,-3.0 4,-2.0 -2,-0.3 60,-0.2 0.871 108.2 48.0 -66.6 -36.6 33.6 6.4 21.9 136 148 A R H > S+ 0 0 186 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.919 111.6 50.4 -68.6 -44.3 36.2 6.0 19.2 137 149 A W H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 108.0 54.3 -56.9 -43.9 38.4 8.7 20.8 138 150 A D H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.946 110.2 45.9 -55.4 -51.7 38.1 6.8 24.1 139 151 A I H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.921 110.1 54.4 -60.1 -44.7 39.4 3.6 22.5 140 152 A V H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.850 102.7 56.9 -60.4 -34.4 42.2 5.5 20.8 141 153 A Q H X S+ 0 0 64 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.924 109.3 45.6 -64.2 -39.2 43.4 6.9 24.1 142 154 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.915 110.3 54.4 -68.6 -39.4 43.8 3.4 25.5 143 155 A V H X S+ 0 0 68 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.886 107.5 49.7 -60.6 -39.8 45.5 2.4 22.3 144 156 A R H X S+ 0 0 141 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.887 106.9 55.5 -67.0 -39.4 48.1 5.2 22.7 145 157 A Q H X S+ 0 0 92 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.910 114.1 40.7 -59.9 -39.9 48.7 4.1 26.3 146 158 A L H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.891 110.8 55.4 -76.4 -39.3 49.5 0.7 25.0 147 159 A A H X S+ 0 0 55 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.893 106.3 53.7 -59.5 -38.6 51.5 1.9 21.9 148 160 A E H X S+ 0 0 108 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.911 107.2 51.1 -61.2 -43.3 53.7 3.9 24.4 149 161 A K H <>S+ 0 0 80 -4,-1.3 5,-1.7 1,-0.2 6,-0.8 0.835 108.3 50.9 -63.9 -32.3 54.3 0.7 26.3 150 162 A V H ><5S+ 0 0 49 -4,-1.9 3,-1.1 4,-0.2 -1,-0.2 0.904 110.1 51.8 -69.2 -39.6 55.3 -1.0 23.1 151 163 A Q H 3<5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.973 105.6 52.8 -56.2 -61.8 57.7 2.0 22.4 152 164 A Q T 3<5S- 0 0 116 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.477 115.3-115.7 -57.3 -3.3 59.3 1.7 25.8 153 165 A G T < 5S+ 0 0 55 -3,-1.1 -3,-0.2 2,-0.2 -1,-0.2 0.598 87.7 116.4 76.0 10.3 60.0 -2.0 25.1 154 166 A N S - 0 0 104 -2,-0.3 3,-2.6 1,-0.1 4,-0.5 -0.741 25.5-124.5 -93.3 137.9 55.1 -7.0 22.9 157 169 A P G > S+ 0 0 84 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.801 111.1 58.1 -50.0 -28.8 52.4 -6.4 20.2 158 170 A D G 3 S+ 0 0 140 1,-0.2 -3,-0.0 3,-0.0 -2,-0.0 0.460 94.2 65.1 -84.4 2.8 51.3 -10.0 20.5 159 171 A Q G < S+ 0 0 90 -3,-2.6 2,-0.5 2,-0.1 -1,-0.2 0.522 76.5 105.4 -95.4 -11.4 50.5 -9.5 24.2 160 172 A I < + 0 0 69 -3,-0.9 2,-0.2 -4,-0.5 -5,-0.0 -0.585 45.1 155.0 -76.1 115.0 47.7 -7.0 23.5 161 173 A D > - 0 0 92 -2,-0.5 4,-2.0 1,-0.0 5,-0.2 -0.775 56.9 -87.1-129.4-177.6 44.3 -8.7 23.9 162 174 A E H > S+ 0 0 139 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.893 123.1 51.8 -57.8 -45.3 40.8 -7.5 24.7 163 175 A E H > S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.919 109.5 50.8 -62.0 -40.4 41.1 -7.5 28.5 164 176 A M H 4 S+ 0 0 47 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 113.4 43.5 -66.0 -39.3 44.3 -5.4 28.3 165 177 A L H >< S+ 0 0 25 -4,-2.0 3,-2.2 1,-0.2 -1,-0.2 0.899 108.2 61.1 -71.4 -33.2 42.6 -2.8 26.1 166 178 A N H >< S+ 0 0 56 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.800 97.7 58.2 -60.9 -26.7 39.6 -3.0 28.4 167 179 A Q T 3< S+ 0 0 108 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.548 107.1 49.1 -83.0 -0.7 41.8 -1.9 31.2 168 180 A H T < S+ 0 0 34 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.178 90.5 90.8-119.9 12.7 42.7 1.3 29.3 169 181 A V S X S- 0 0 4 -3,-0.9 3,-1.2 -4,-0.2 -30,-0.1 -0.730 90.7 -75.3-102.6 162.9 39.2 2.5 28.2 170 182 A C T 3 S+ 0 0 28 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.196 112.2 11.6 -58.3 144.4 37.1 5.0 30.3 171 183 A M T > S+ 0 0 14 1,-0.1 3,-1.9 -4,-0.1 -1,-0.2 0.665 73.3 143.1 67.7 22.5 35.3 3.6 33.4 172 184 A H T < + 0 0 85 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.717 68.5 62.7 -68.2 -14.4 37.2 0.3 33.4 173 185 A E T 3 S+ 0 0 101 2,-0.1 -1,-0.3 -6,-0.0 2,-0.2 0.516 98.4 72.5 -84.2 -5.3 37.1 0.6 37.3 174 186 A L S < S- 0 0 26 -3,-1.9 3,-0.1 1,-0.1 -166,-0.1 -0.642 98.3 -81.9-109.3 166.8 33.3 0.5 37.3 175 187 A A - 0 0 18 -2,-0.2 -1,-0.1 -168,-0.1 3,-0.1 -0.260 62.7 -93.8 -57.7 149.0 30.7 -2.1 36.7 176 188 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -168,-0.2 -0.328 49.1 -88.6 -65.9 151.6 30.0 -2.6 33.0 177 189 A V + 0 0 8 19,-0.5 22,-0.2 1,-0.2 -168,-0.2 -0.489 45.6 177.9 -63.4 125.1 27.2 -0.6 31.4 178 190 A D + 0 0 24 -170,-2.6 23,-3.1 1,-0.3 2,-0.4 0.724 65.5 25.8 -99.3 -32.6 24.0 -2.6 31.7 179 191 A L E -be 9 201A 2 -171,-1.6 -169,-2.7 21,-0.2 2,-0.5 -0.977 57.0-165.8-141.5 126.8 21.5 -0.3 30.2 180 192 A V E -be 10 202A 2 21,-2.9 23,-3.2 -2,-0.4 2,-0.4 -0.951 14.5-166.0-107.8 127.4 21.8 2.6 27.6 181 193 A I E -be 11 203A 0 -171,-2.7 -169,-3.2 -2,-0.5 2,-0.5 -0.943 4.5-170.5-113.0 130.9 18.8 4.9 27.5 182 194 A R E -be 12 204A 20 21,-2.4 23,-2.3 -2,-0.4 3,-0.4 -0.950 5.6-166.6-123.1 117.9 18.3 7.4 24.6 183 195 A T + 0 0 0 -171,-1.7 3,-0.4 -2,-0.5 -169,-0.3 -0.424 59.4 58.1 -89.3 168.4 15.5 10.0 24.8 184 196 A G S S- 0 0 3 23,-3.0 22,-0.2 21,-0.3 -1,-0.2 0.312 107.4 -87.1 99.8 -14.5 14.3 12.1 21.9 185 197 A G S S+ 0 0 19 20,-1.5 2,-0.2 -3,-0.4 -1,-0.2 0.260 86.2 121.8 101.6 -19.3 13.2 9.5 19.4 186 198 A E - 0 0 63 -3,-0.4 2,-0.5 19,-0.2 -1,-0.3 -0.581 51.0-147.5 -86.2 147.8 16.4 8.8 17.5 187 199 A H + 0 0 124 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.545 60.1 97.2-114.6 65.6 17.7 5.2 17.3 188 200 A R - 0 0 127 -2,-0.5 -2,-0.1 1,-0.0 0, 0.0 -0.935 63.6-142.0-142.8 156.0 21.5 5.6 17.1 189 201 A I > - 0 0 45 -2,-0.3 3,-1.3 13,-0.0 5,-0.1 0.447 33.8-149.0-100.5 -6.1 24.1 5.4 19.9 190 202 A S T 3 - 0 0 47 1,-0.3 -55,-0.1 -56,-0.0 -2,-0.0 0.830 63.9 -48.8 45.7 53.4 26.0 8.2 18.1 191 203 A N T 3 S+ 0 0 44 1,-0.2 -56,-3.0 -57,-0.1 2,-0.6 0.796 96.8 148.1 60.6 32.2 29.6 7.3 19.1 192 204 A F S < S- 0 0 2 -3,-1.3 -1,-0.2 -58,-0.2 5,-0.1 -0.874 73.3 -31.6-103.5 114.6 28.7 6.8 22.8 193 205 A L S > S+ 0 0 0 -2,-0.6 4,-2.0 1,-0.1 -1,-0.2 0.816 73.2 171.9 52.6 42.5 30.6 4.2 24.8 194 206 A L T 4 S+ 0 0 55 1,-0.2 3,-0.3 2,-0.2 -1,-0.1 0.882 75.9 40.1 -51.7 -46.8 31.2 1.9 21.8 195 207 A W T >4 S+ 0 0 68 -60,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.942 117.5 49.8 -69.3 -45.7 33.6 -0.5 23.6 196 208 A Q T 34 S+ 0 0 26 1,-0.2 -19,-0.5 2,-0.1 3,-0.4 0.637 101.0 61.2 -69.8 -19.3 31.6 -0.4 26.8 197 209 A I T >< + 0 0 21 -4,-2.0 3,-1.1 -3,-0.3 -1,-0.2 0.250 63.9 119.8 -95.0 17.1 28.2 -1.1 25.4 198 210 A A T < S+ 0 0 67 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.818 92.5 15.5 -48.3 -39.2 29.0 -4.5 23.9 199 211 A Y T 3 S+ 0 0 202 -3,-0.4 -1,-0.3 -22,-0.2 2,-0.1 0.206 96.2 126.6-123.0 16.7 26.4 -6.4 26.1 200 212 A A < - 0 0 13 -3,-1.1 2,-0.3 1,-0.1 -21,-0.2 -0.412 63.1-115.8 -76.7 148.5 24.2 -3.6 27.3 201 213 A E E -e 179 0A 63 -23,-3.1 -21,-2.9 -2,-0.1 2,-0.5 -0.645 31.5-144.2 -75.3 142.5 20.4 -3.5 26.9 202 214 A L E -e 180 0A 84 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.944 16.2-171.6-113.6 129.6 19.5 -0.5 24.6 203 215 A Y E -e 181 0A 64 -23,-3.2 -21,-2.4 -2,-0.5 2,-0.4 -0.957 1.8-169.9-127.9 117.0 16.3 1.4 25.4 204 216 A F E +e 182 0A 68 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.883 7.8 179.1-107.7 133.9 14.9 4.0 23.0 205 217 A T - 0 0 20 -23,-2.3 -20,-1.5 -2,-0.4 -21,-0.3 -0.991 33.5-141.2-135.5 142.5 12.0 6.3 24.0 206 218 A D S S+ 0 0 120 -2,-0.4 -23,-0.1 -22,-0.2 -1,-0.1 0.612 70.2 115.9 -74.7 -11.5 10.3 9.1 22.2 207 219 A V S S- 0 0 41 1,-0.1 -23,-3.0 -24,-0.1 -22,-0.3 -0.344 71.8-122.5 -55.9 136.5 10.1 11.0 25.6 208 220 A L >> - 0 0 18 -25,-0.2 3,-2.3 -24,-0.1 4,-1.1 -0.591 19.9-113.4 -85.3 142.7 12.2 14.2 25.2 209 221 A W G >4 S+ 0 0 3 -195,-2.0 3,-1.2 1,-0.3 -194,-0.1 0.877 114.4 55.2 -47.7 -46.4 15.1 14.7 27.6 210 222 A P G 34 S+ 0 0 9 0, 0.0 -1,-0.3 0, 0.0 -195,-0.1 0.753 113.0 44.5 -60.5 -19.3 13.6 17.8 29.4 211 223 A D G <4 S+ 0 0 71 -3,-2.3 2,-0.2 2,-0.1 -2,-0.2 0.524 81.9 118.9 -96.4 -10.4 10.4 15.7 30.1 212 224 A F << + 0 0 3 -3,-1.2 2,-0.2 -4,-1.1 -171,-0.1 -0.381 42.6 165.7 -62.0 120.3 12.2 12.5 31.3 213 225 A D > - 0 0 54 -2,-0.2 4,-2.2 -173,-0.1 3,-0.3 -0.587 51.0 -76.6-126.5-167.9 11.1 11.9 34.9 214 226 A E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.830 126.3 52.4 -64.7 -33.8 11.2 9.2 37.6 215 227 A Q H > S+ 0 0 157 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 110.4 49.5 -70.1 -34.4 8.3 7.2 36.1 216 228 A D H > S+ 0 0 36 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.925 111.9 47.6 -68.5 -42.2 10.2 7.2 32.7 217 229 A F H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 112.0 49.8 -64.3 -44.9 13.4 6.1 34.4 218 230 A E H X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.925 109.7 54.2 -59.9 -40.2 11.4 3.3 36.3 219 231 A G H X S+ 0 0 28 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.910 106.4 48.6 -59.5 -45.7 9.9 2.4 33.0 220 232 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.856 111.2 52.8 -64.0 -33.6 13.3 1.9 31.4 221 233 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.858 106.7 50.6 -70.0 -36.4 14.4 -0.2 34.4 222 234 A N H X S+ 0 0 61 -4,-2.0 4,-1.6 2,-0.3 -1,-0.2 0.767 106.1 55.2 -72.6 -28.2 11.4 -2.5 34.1 223 235 A A H < S+ 0 0 42 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.7 48.1 -70.1 -33.1 12.1 -3.1 30.4 224 236 A F H >< S+ 0 0 13 -4,-1.3 3,-2.0 1,-0.2 -2,-0.3 0.961 106.7 53.0 -70.6 -48.6 15.5 -4.1 31.7 225 237 A A H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 111.0 49.2 -56.0 -32.1 14.2 -6.4 34.4 226 238 A N T 3< S+ 0 0 104 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 -0.190 73.1 127.2 -97.0 37.8 12.2 -8.0 31.6 227 239 A R < 0 0 109 -3,-2.0 -1,-0.2 -26,-0.0 -2,-0.1 0.285 360.0 360.0 -76.0 12.2 15.4 -8.2 29.6 228 240 A E 0 0 209 -3,-0.2 -2,-0.1 -4,-0.0 -3,-0.0 -0.105 360.0 360.0 -50.3 360.0 14.4 -11.9 29.3