==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JAN-12 4DG5 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.ROYCHOWDHURY,S.MUKHERJEE,D.DUTTA,A.K.DAS . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.3 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 . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 2 0 0 1 3 2 1 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 2 A A 0 0 116 0, 0.0 394,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -45.1 14.0 19.1 -29.9 2 3 A K B -A 394 0A 34 392,-0.3 392,-0.2 393,-0.1 2,-0.2 -0.600 360.0-119.6 -90.2 139.6 13.1 18.0 -26.3 3 4 A K - 0 0 32 390,-2.5 168,-3.1 -2,-0.3 2,-0.3 -0.468 32.4-156.7 -63.8 132.3 15.5 17.3 -23.4 4 5 A I B > -b 171 0B 32 166,-0.3 3,-2.9 -2,-0.2 4,-0.4 -0.794 29.9-107.2-113.5 160.9 15.2 13.7 -22.2 5 6 A V G > S+ 0 0 0 166,-2.4 3,-1.8 1,-0.3 167,-0.1 0.839 119.1 62.1 -52.5 -34.2 16.1 12.2 -18.8 6 7 A S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.1 166,-0.1 0.481 95.3 62.6 -76.9 -1.2 19.2 10.6 -20.3 7 8 A D G < S+ 0 0 65 -3,-2.9 -1,-0.3 2,-0.0 -2,-0.2 0.523 89.9 92.3 -92.7 -10.2 20.5 14.1 -21.1 8 9 A L S < S- 0 0 15 -3,-1.8 2,-1.1 -4,-0.4 136,-0.0 -0.542 79.1-125.7 -90.6 152.8 20.7 15.1 -17.5 9 10 A D + 0 0 128 -2,-0.2 -3,-0.1 1,-0.2 -2,-0.0 -0.820 44.1 165.4 -86.4 95.6 23.6 14.9 -14.9 10 11 A L > + 0 0 4 -2,-1.1 3,-2.4 -5,-0.1 42,-0.3 0.717 23.0 120.3 -90.7 -25.3 21.5 12.8 -12.3 11 12 A K T 3 S- 0 0 130 1,-0.3 40,-0.2 40,-0.1 39,-0.2 -0.170 92.2 -5.8 -57.2 125.4 24.1 11.5 -9.9 12 13 A G T 3 S+ 0 0 25 38,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.364 106.1 129.2 75.8 -5.4 23.7 12.6 -6.3 13 14 A K < - 0 0 65 -3,-2.4 39,-3.2 37,-0.1 2,-0.8 -0.551 66.1-122.9 -81.1 143.0 20.8 14.8 -7.5 14 15 A T E -c 52 0B 20 -2,-0.2 129,-3.1 37,-0.2 130,-1.4 -0.810 34.8-159.8 -81.0 111.6 17.4 14.9 -5.9 15 16 A V E -cd 53 144B 0 37,-2.8 39,-2.7 -2,-0.8 2,-0.4 -0.848 7.9-153.7-103.5 111.8 15.2 14.1 -9.0 16 17 A L E -cd 54 145B 0 128,-2.8 130,-2.0 -2,-0.6 2,-0.5 -0.697 17.9-167.1 -83.3 136.0 11.5 15.1 -8.9 17 18 A V E -cd 55 146B 2 37,-2.8 39,-2.9 -2,-0.4 2,-0.8 -0.970 19.9-152.9-133.1 119.7 9.5 12.8 -11.2 18 19 A R E +cd 56 147B 0 128,-2.5 130,-2.9 -2,-0.5 2,-0.3 -0.832 29.6 178.0 -87.2 111.7 6.0 13.2 -12.4 19 20 A A - 0 0 2 37,-2.4 2,-1.2 -2,-0.8 39,-0.3 -0.808 35.5-116.6-110.9 153.1 4.8 9.7 -13.0 20 21 A D + 0 0 12 128,-0.4 19,-0.2 -2,-0.3 37,-0.1 -0.761 49.2 151.1 -92.4 93.5 1.4 8.5 -14.2 21 22 A F + 0 0 0 -2,-1.2 2,-2.8 37,-0.3 -1,-0.2 0.101 21.3 130.8-103.8 18.5 0.2 6.4 -11.3 22 23 A N + 0 0 54 37,-0.1 37,-0.1 13,-0.1 13,-0.1 -0.419 40.2 170.7 -70.9 74.4 -3.5 7.0 -11.9 23 24 A V - 0 0 4 -2,-2.8 10,-0.1 1,-0.1 2,-0.1 -0.585 40.8 -92.7 -91.0 151.0 -4.3 3.3 -11.7 24 25 A P - 0 0 60 0, 0.0 7,-2.6 0, 0.0 8,-0.8 -0.373 47.8-163.8 -58.0 129.2 -7.7 1.6 -11.5 25 26 A L - 0 0 51 5,-0.2 2,-0.2 6,-0.1 5,-0.2 -0.719 21.6-175.6-112.4 165.8 -8.9 1.0 -7.9 26 27 A K S S- 0 0 146 3,-0.5 3,-0.1 -2,-0.2 0, 0.0 -0.721 87.2 -19.3-160.8 106.0 -11.6 -1.1 -6.2 27 28 A D S S- 0 0 150 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.679 129.5 -54.8 64.3 20.9 -12.0 -0.6 -2.4 28 29 A G S S+ 0 0 29 1,-0.3 2,-0.4 42,-0.1 -1,-0.2 0.866 112.1 128.0 72.8 40.7 -8.5 0.9 -2.6 29 30 A E - 0 0 81 -3,-0.1 -3,-0.5 46,-0.0 2,-0.4 -0.999 66.5-115.9-127.0 126.2 -7.1 -2.3 -4.3 30 31 A I - 0 0 38 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.2 -0.478 30.7-179.3 -67.2 116.2 -5.1 -1.9 -7.6 31 32 A T S S+ 0 0 98 -7,-2.6 2,-0.2 -2,-0.4 -1,-0.2 0.567 76.2 25.2 -89.6 -15.6 -7.1 -3.6 -10.4 32 33 A N > - 0 0 81 -8,-0.8 3,-0.6 1,-0.0 -1,-0.3 -0.689 56.6-176.9-154.6 99.7 -4.6 -2.8 -13.1 33 34 A D T >> + 0 0 59 -2,-0.2 4,-2.3 -3,-0.2 3,-1.0 0.272 54.2 111.8 -79.2 13.4 -1.0 -2.2 -12.4 34 35 A N H 3> S+ 0 0 56 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.875 72.2 53.1 -63.9 -38.3 -0.2 -1.4 -16.0 35 36 A R H <> S+ 0 0 94 -3,-0.6 4,-1.1 1,-0.2 -1,-0.3 0.783 111.8 49.3 -64.2 -23.2 0.5 2.3 -15.6 36 37 A I H <> S+ 0 0 0 -3,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.910 107.6 51.8 -80.3 -46.0 3.0 1.3 -12.9 37 38 A V H >< S+ 0 0 65 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.937 112.8 47.5 -49.2 -48.6 4.7 -1.3 -15.0 38 39 A Q H 3< S+ 0 0 63 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.781 104.4 58.1 -69.4 -30.2 5.1 1.4 -17.7 39 40 A A H 3X S+ 0 0 3 -4,-1.1 4,-1.2 1,-0.2 3,-0.3 0.656 88.3 87.1 -68.1 -17.1 6.5 4.0 -15.4 40 41 A L H S+ 0 0 67 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.892 106.4 48.4 -59.8 -40.8 12.1 2.3 -17.0 42 43 A T H > S+ 0 0 1 -3,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.928 117.2 44.0 -57.7 -46.9 12.5 6.0 -16.3 43 44 A I H X S+ 0 0 2 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.950 113.5 48.6 -65.1 -46.0 12.7 5.2 -12.6 44 45 A Q H X S+ 0 0 84 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.907 112.1 51.1 -66.4 -38.6 15.0 2.3 -13.0 45 46 A Y H X S+ 0 0 46 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.932 109.7 47.9 -62.1 -47.4 17.3 4.4 -15.2 46 47 A I H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.2 0.835 110.6 53.9 -61.9 -34.1 17.4 7.3 -12.6 47 48 A I H ><5S+ 0 0 50 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.966 107.4 50.2 -61.9 -48.5 18.2 4.6 -10.0 48 49 A E H 3<5S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.800 107.4 53.7 -59.8 -30.9 21.1 3.4 -12.2 49 50 A Q T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.419 120.4-108.4 -87.0 3.3 22.5 6.9 -12.6 50 51 A G T < 5 + 0 0 9 -3,-2.0 -38,-3.1 -4,-0.2 -3,-0.2 0.821 64.4 155.4 75.7 35.5 22.5 7.4 -8.8 51 52 A G < - 0 0 0 -5,-2.7 58,-2.9 -40,-0.2 2,-0.7 -0.503 45.6-124.3 -85.3 159.4 19.6 9.8 -8.5 52 53 A K E -c 14 0B 49 -39,-3.2 -37,-2.8 -42,-0.3 2,-0.5 -0.930 32.9-139.0-104.1 114.8 17.5 10.3 -5.5 53 54 A I E +ce 15 111B 0 57,-2.9 59,-2.6 -2,-0.7 2,-0.5 -0.625 26.5 175.8 -90.6 125.2 13.9 9.8 -6.5 54 55 A V E -ce 16 112B 0 -39,-2.7 -37,-2.8 -2,-0.5 2,-0.3 -0.951 21.1-156.7-118.5 114.2 10.9 11.9 -5.4 55 56 A L E -ce 17 113B 0 57,-2.7 59,-2.6 -2,-0.5 2,-0.4 -0.700 11.6-172.4-102.5 136.4 7.7 10.8 -7.1 56 57 A F E +c 18 0B 0 -39,-2.9 -37,-2.4 -2,-0.3 2,-0.3 -0.977 14.8 154.1-121.1 136.0 4.6 12.7 -7.7 57 58 A S - 0 0 0 -2,-0.4 60,-2.5 57,-0.3 2,-0.3 -0.981 33.0-131.1-150.0 160.0 1.2 11.5 -9.1 58 59 A H - 0 0 11 -2,-0.3 2,-0.4 -39,-0.3 -37,-0.3 -0.684 19.0-160.3 -95.6 161.1 -2.4 12.2 -9.1 59 60 A L - 0 0 2 -2,-0.3 -37,-0.1 1,-0.2 59,-0.1 -0.937 50.0 -40.1-148.9 122.9 -5.0 9.5 -8.4 60 61 A G S S- 0 0 18 -2,-0.4 2,-0.5 -37,-0.1 -1,-0.2 -0.067 90.9 -53.3 54.6-155.8 -8.7 9.8 -9.3 61 62 A K - 0 0 147 -3,-0.1 2,-0.8 6,-0.1 -1,-0.1 -0.980 46.4-155.9-122.2 119.0 -10.7 13.0 -8.9 62 63 A V + 0 0 11 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.819 31.9 148.4-101.2 99.2 -10.6 14.7 -5.5 63 64 A K + 0 0 160 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.844 64.6 6.1-101.6 -38.4 -13.7 16.9 -5.1 64 65 A E S > S- 0 0 120 1,-0.0 3,-1.8 0, 0.0 4,-0.4 -0.868 82.8 -88.1-144.6 173.7 -14.5 16.7 -1.4 65 66 A E G > S+ 0 0 126 1,-0.3 3,-1.7 -2,-0.3 4,-0.4 0.846 119.0 57.1 -55.8 -42.7 -13.1 15.4 1.9 66 67 A S G 3 S+ 0 0 93 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.662 95.5 67.5 -66.5 -15.9 -14.7 12.0 1.8 67 68 A D G < S+ 0 0 51 -3,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.664 85.5 75.3 -69.5 -18.5 -12.9 11.3 -1.6 68 69 A K S X S+ 0 0 67 -3,-1.7 3,-1.3 -4,-0.4 -1,-0.2 0.907 84.0 57.5 -64.1 -49.2 -9.4 11.3 0.1 69 70 A A G > S+ 0 0 82 -4,-0.4 3,-0.7 1,-0.3 -1,-0.2 0.827 109.4 43.1 -60.4 -40.4 -9.4 7.9 1.9 70 71 A K G 3 S+ 0 0 74 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.590 113.9 54.9 -82.9 -3.0 -10.0 5.7 -1.2 71 72 A L G < S+ 0 0 28 -3,-1.3 -1,-0.2 -4,-0.4 45,-0.2 0.060 72.5 129.5-119.5 23.6 -7.5 7.9 -3.3 72 73 A T < - 0 0 40 -3,-0.7 4,-0.2 1,-0.1 43,-0.1 -0.530 58.4-135.2 -68.1 146.6 -4.3 7.7 -1.1 73 74 A L S >> S+ 0 0 0 1,-0.2 4,-1.7 -2,-0.2 3,-0.9 0.430 78.8 103.5 -86.7 1.3 -1.2 6.7 -3.0 74 75 A R H 3> S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 77.5 54.0 -47.2 -44.3 -0.1 4.2 -0.3 75 76 A P H 3> S+ 0 0 28 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.857 108.0 51.3 -65.7 -27.1 -1.2 1.1 -2.3 76 77 A V H <> S+ 0 0 2 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.855 107.4 51.9 -72.7 -36.0 1.0 2.4 -5.3 77 78 A A H X S+ 0 0 4 -4,-1.7 4,-1.3 1,-0.2 11,-0.4 0.894 111.0 48.2 -68.7 -39.9 4.0 2.8 -3.1 78 79 A E H X S+ 0 0 113 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.910 113.6 45.8 -64.9 -43.9 3.6 -0.8 -1.8 79 80 A D H X S+ 0 0 20 -4,-1.9 4,-2.4 1,-0.2 3,-0.2 0.938 110.6 54.1 -66.5 -42.0 3.2 -2.2 -5.3 80 81 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.791 104.3 56.7 -62.1 -29.4 6.1 -0.1 -6.6 81 82 A S H X>S+ 0 0 7 -4,-1.3 5,-1.5 2,-0.2 4,-0.7 0.926 106.7 47.8 -67.5 -44.9 8.2 -1.7 -3.8 82 83 A K H ><5S+ 0 0 155 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.951 113.7 48.2 -59.8 -48.1 7.5 -5.2 -5.0 83 84 A K H 3<5S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 119.0 38.6 -62.4 -35.3 8.3 -4.2 -8.6 84 85 A L H 3<5S- 0 0 23 -4,-1.9 -1,-0.3 2,-0.3 -2,-0.2 0.485 98.1-137.1 -90.1 -0.8 11.5 -2.6 -7.5 85 86 A D T <<5S+ 0 0 147 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.875 77.8 93.5 21.8 56.7 12.4 -5.2 -4.9 86 87 A K S S- 0 0 30 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 -0.469 79.8 -48.9 116.4-177.6 5.5 20.0 5.4 97 98 A E H > S+ 0 0 164 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.875 126.8 48.2 -58.8 -47.4 8.4 19.1 7.8 98 99 A K H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.953 114.7 45.8 -67.7 -48.6 8.1 15.4 7.8 99 100 A L H > S+ 0 0 0 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 115.0 48.4 -50.4 -52.6 8.0 15.2 4.0 100 101 A E H X S+ 0 0 48 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.901 111.6 48.5 -58.4 -45.7 10.9 17.7 3.8 101 102 A A H X S+ 0 0 59 -4,-3.0 4,-1.4 2,-0.2 -1,-0.2 0.916 110.7 50.9 -63.5 -40.9 13.0 15.7 6.3 102 103 A A H < S+ 0 0 25 -4,-2.6 4,-0.4 1,-0.2 3,-0.2 0.889 108.5 51.9 -68.1 -36.6 12.3 12.4 4.5 103 104 A I H >< S+ 0 0 9 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.955 108.9 51.1 -62.0 -45.8 13.4 13.9 1.2 104 105 A K H 3< S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.1 58.4 -61.8 -26.5 16.7 15.2 2.7 105 106 A D T 3< S+ 0 0 126 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.529 80.6 117.4 -82.9 -4.0 17.4 11.7 4.1 106 107 A L < - 0 0 9 -3,-1.7 2,-0.2 -4,-0.4 -54,-0.1 -0.333 47.4-163.0 -68.0 134.2 17.4 10.1 0.7 107 108 A K > - 0 0 149 1,-0.1 3,-2.3 -2,-0.1 -2,-0.0 -0.685 43.7 -61.8-106.8 177.2 20.6 8.6 -0.6 108 109 A E T 3 S+ 0 0 87 1,-0.3 -56,-0.2 -2,-0.2 -57,-0.1 -0.292 125.9 18.5 -62.6 136.6 21.5 7.7 -4.2 109 110 A G T 3 S+ 0 0 10 -58,-2.9 -1,-0.3 1,-0.3 -57,-0.1 0.127 92.3 132.0 91.8 -20.0 19.1 5.1 -5.6 110 111 A D < - 0 0 37 -3,-2.3 -57,-2.9 -60,-0.1 2,-0.4 -0.382 42.6-153.9 -70.3 147.1 16.4 5.7 -2.9 111 112 A V E -e 53 0B 5 -24,-0.4 -22,-2.1 -59,-0.2 2,-0.4 -0.982 12.3-177.8-127.2 127.1 12.8 6.2 -4.1 112 113 A L E -ef 54 89B 0 -59,-2.6 -57,-2.7 -2,-0.4 2,-0.5 -0.955 13.5-149.3-126.0 145.3 10.1 8.2 -2.1 113 114 A L E -ef 55 90B 0 -24,-3.0 -22,-2.0 -2,-0.4 2,-0.2 -0.979 8.7-146.4-123.1 121.0 6.5 8.7 -3.1 114 115 A V E - f 0 91B 0 -59,-2.6 -57,-0.3 -2,-0.5 3,-0.2 -0.586 32.8 -97.4 -78.0 143.5 4.6 11.8 -2.2 115 116 A E - 0 0 6 -22,-1.2 -58,-0.3 -24,-1.0 -1,-0.1 -0.064 67.2 -50.4 -57.6 162.1 0.8 11.5 -1.4 116 117 A N > - 0 0 0 -45,-0.2 3,-2.0 1,-0.2 4,-0.3 -0.039 44.8-143.9 -41.1 122.4 -1.9 12.3 -4.1 117 118 A T G > S+ 0 0 0 -60,-2.5 3,-1.6 1,-0.3 10,-0.2 0.828 97.9 66.2 -65.5 -25.5 -1.2 15.6 -5.8 118 119 A R G > S+ 0 0 36 1,-0.3 3,-0.8 -61,-0.2 4,-0.3 0.478 75.4 82.7 -82.0 2.1 -5.0 16.2 -6.0 119 120 A Y G X S+ 0 0 35 -3,-2.0 3,-0.9 1,-0.2 4,-0.4 0.752 86.3 63.6 -60.3 -23.6 -5.2 16.3 -2.1 120 121 A E G < S+ 0 0 18 -3,-1.6 6,-1.4 -4,-0.3 3,-0.3 0.660 86.4 71.5 -78.9 -13.7 -4.2 19.9 -2.9 121 122 A D G <> S+ 0 0 15 -3,-0.8 4,-1.9 4,-0.3 -1,-0.2 0.705 79.7 74.9 -73.8 -19.9 -7.4 20.5 -4.8 122 123 A L T <4 S+ 0 0 52 -3,-0.9 2,-0.9 -4,-0.3 -1,-0.2 0.904 97.9 43.5 -62.3 -43.6 -9.6 20.5 -1.7 123 124 A D T >4 S- 0 0 121 -4,-0.4 3,-0.6 -3,-0.3 -1,-0.2 -0.884 144.9 -25.4-103.6 97.4 -8.6 24.0 -0.5 124 125 A G T 34 S- 0 0 58 -2,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.548 90.3 -93.9 83.7 12.6 -8.6 26.1 -3.7 125 126 A K T 3X + 0 0 109 -4,-1.9 4,-2.2 1,-0.1 -4,-0.3 0.875 67.8 162.1 43.9 44.7 -8.0 23.6 -6.5 126 127 A K T <4> + 0 0 40 -6,-1.4 5,-2.8 -3,-0.6 32,-0.3 0.856 66.4 44.4 -66.2 -40.4 -4.3 24.4 -6.3 127 128 A E T >45S+ 0 0 0 3,-0.2 31,-2.1 -10,-0.2 3,-1.9 0.995 118.5 42.2 -64.6 -59.3 -3.0 21.3 -8.1 128 129 A S T 345S+ 0 0 38 1,-0.3 -2,-0.2 29,-0.2 28,-0.2 0.693 120.6 41.0 -66.5 -26.0 -5.5 21.4 -10.9 129 130 A K T 3<5S- 0 0 136 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.140 111.3-116.5-105.1 11.9 -5.4 25.2 -11.5 130 131 A N T < 5 - 0 0 22 -3,-1.9 -3,-0.2 1,-0.1 -4,-0.1 0.929 30.1-149.7 55.9 55.0 -1.6 25.4 -11.1 131 132 A D >< - 0 0 45 -5,-2.8 4,-1.9 1,-0.1 5,-0.2 -0.346 11.3-133.2 -53.6 130.9 -1.4 27.6 -7.9 132 133 A P H > S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.913 102.4 50.0 -56.6 -46.5 1.9 29.6 -8.2 133 134 A E H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.883 109.0 50.8 -57.5 -43.7 2.9 28.9 -4.5 134 135 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.913 109.6 48.9 -65.5 -45.6 2.4 25.1 -4.8 135 136 A G H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.918 114.8 45.5 -60.9 -44.5 4.4 24.6 -8.0 136 137 A K H X S+ 0 0 130 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.903 113.0 50.6 -66.1 -44.9 7.3 26.7 -6.5 137 138 A Y H < S+ 0 0 39 -4,-2.6 3,-0.5 2,-0.2 4,-0.3 0.928 113.0 44.5 -58.4 -52.9 7.1 24.8 -3.2 138 139 A W H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.2 0.902 111.8 53.8 -55.9 -45.1 7.2 21.4 -4.8 139 140 A A H >< S+ 0 0 4 -4,-2.6 3,-1.3 -5,-0.3 -1,-0.2 0.788 99.5 63.5 -61.2 -25.0 10.0 22.5 -7.1 140 141 A S T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.529 88.0 71.3 -81.6 -6.4 12.1 23.6 -4.0 141 142 A L T < S+ 0 0 21 -3,-1.5 -1,-0.3 -4,-0.3 2,-0.2 0.570 105.7 26.4 -83.7 -8.4 12.2 20.0 -2.8 142 143 A G < - 0 0 12 -3,-1.3 -127,-0.2 -4,-0.2 3,-0.1 -0.801 65.9-122.4-144.4-175.6 14.6 19.0 -5.6 143 144 A D S S+ 0 0 82 -129,-3.1 25,-0.4 1,-0.3 2,-0.3 0.783 89.6 11.2 -99.3 -31.3 17.4 19.8 -8.1 144 145 A V E -d 15 0B 5 -130,-1.4 -128,-2.8 23,-0.1 2,-0.4 -0.951 63.5-133.9-147.2 161.9 15.8 18.7 -11.4 145 146 A F E -dg 16 169B 0 23,-2.2 25,-2.1 -2,-0.3 2,-0.4 -0.968 10.5-172.9-126.8 137.5 12.4 17.6 -12.9 146 147 A V E -dg 17 170B 0 -130,-2.0 -128,-2.5 -2,-0.4 2,-0.9 -0.987 11.4-157.6-125.9 114.9 11.4 14.7 -15.2 147 148 A N E +dg 18 171B 0 23,-2.5 25,-1.6 -2,-0.4 -128,-0.1 -0.852 24.8 160.4 -95.7 105.2 7.9 14.7 -16.5 148 149 A D + 0 0 3 -130,-2.9 2,-0.7 -2,-0.9 -128,-0.4 0.089 46.9 99.2-105.0 21.3 7.0 11.2 -17.5 149 150 A A > + 0 0 1 -130,-0.2 3,-1.4 1,-0.2 4,-0.4 -0.642 34.5 164.7-110.7 75.0 3.2 11.8 -17.3 150 151 A F G > + 0 0 1 -2,-0.7 3,-1.6 1,-0.2 4,-0.4 0.843 68.7 76.5 -51.8 -31.2 1.9 12.4 -20.9 151 152 A G G 3 S+ 0 0 20 1,-0.3 225,-0.3 -3,-0.2 -1,-0.2 0.692 105.2 31.7 -59.4 -21.7 -1.7 11.7 -19.6 152 153 A T G X S+ 0 0 7 -3,-1.4 3,-1.9 1,-0.1 -1,-0.3 0.301 87.7 105.4-115.5 5.2 -1.9 15.2 -18.0 153 154 A A T < S+ 0 0 0 -3,-1.6 235,-2.6 -4,-0.4 236,-0.6 0.695 73.4 61.7 -55.7 -24.2 0.3 17.0 -20.5 154 155 A H T 3 S+ 0 0 31 -4,-0.4 2,-0.3 232,-0.2 -1,-0.3 0.441 101.2 65.2 -84.9 2.5 -2.8 18.7 -22.1 155 156 A R S < S- 0 0 110 -3,-1.9 2,-0.9 231,-0.1 6,-0.2 -0.903 81.4-123.2-128.1 152.6 -3.5 20.5 -18.8 156 157 A E + 0 0 105 -2,-0.3 2,-0.3 -28,-0.2 -3,-0.1 -0.824 45.5 157.8-101.3 99.8 -1.8 23.1 -16.7 157 158 A H >>> - 0 0 9 -2,-0.9 5,-2.7 -28,-0.2 3,-1.2 -0.780 54.7-116.5-116.6 163.2 -1.2 21.8 -13.2 158 159 A A T 34>S+ 0 0 0 -31,-2.1 5,-2.1 -32,-0.3 6,-0.2 0.908 115.6 60.1 -58.2 -39.6 1.2 22.5 -10.2 159 160 A S T 345S+ 0 0 0 3,-0.2 -1,-0.2 -32,-0.2 -103,-0.1 0.470 123.4 14.4 -75.5 -2.6 2.6 19.0 -10.7 160 161 A N T <>5S+ 0 0 0 -3,-1.2 4,-1.8 -8,-0.1 -2,-0.1 0.514 138.6 22.5-131.1 -67.9 3.7 19.7 -14.3 161 162 A V H X5S+ 0 0 19 -4,-0.7 4,-1.0 -6,-0.2 -3,-0.2 0.879 123.0 58.6 -68.0 -40.1 3.8 23.3 -15.5 162 163 A G H >44 - 0 0 0 -25,-1.6 4,-2.6 -2,-0.3 5,-0.1 -0.224 36.2 -94.1 -76.4 177.4 10.9 10.6 -19.3 173 174 A F H > S+ 0 0 66 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.784 126.9 47.3 -68.2 -24.3 11.2 7.7 -21.7 174 175 A L H >> S+ 0 0 20 2,-0.2 4,-1.6 1,-0.1 3,-1.0 0.966 111.3 47.1 -81.5 -57.9 7.5 7.4 -21.8 175 176 A M H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.896 109.1 61.0 -42.0 -46.1 6.6 11.0 -22.4 176 177 A D H 3X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.833 100.1 49.9 -58.9 -37.4 9.3 10.9 -25.1 177 178 A K H S+ 0 0 0 -4,-1.6 5,-1.4 2,-0.2 4,-1.2 0.840 113.0 44.1 -58.6 -37.3 4.4 10.2 -27.2 179 180 A I H <>S+ 0 0 26 -4,-1.7 5,-0.5 -5,-0.2 4,-0.4 0.956 115.3 49.2 -72.3 -49.5 6.3 13.2 -28.4 180 181 A K H <5S+ 0 0 136 -4,-2.6 -2,-0.2 3,-0.2 4,-0.2 0.900 125.7 24.3 -50.9 -52.5 8.2 11.2 -31.0 181 182 A F H X5S+ 0 0 37 -4,-3.3 4,-1.7 2,-0.2 -3,-0.2 0.938 131.5 34.6 -90.4 -52.7 5.2 9.5 -32.5 182 183 A I H X5S+ 0 0 0 -4,-1.2 4,-1.2 -5,-0.4 3,-0.3 0.965 125.4 42.9 -69.5 -50.0 2.2 11.6 -31.8 183 184 A G H > - 0 0 88 -3,-0.2 4,-0.7 1,-0.2 24,-0.2 -0.894 48.8-163.9-120.9 128.5 -19.9 11.5 -32.0 202 203 A V H >> S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 4,-1.3 0.939 95.2 63.8 -64.1 -58.1 -18.9 13.8 -34.8 203 204 A S H >4 S+ 0 0 46 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.816 96.8 55.8 -13.0 -65.0 -18.5 16.6 -32.3 204 205 A D H 34 S+ 0 0 92 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.830 115.8 37.4 -58.1 -32.3 -15.7 14.8 -30.5 205 206 A K H S+ 0 0 81 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.903 111.7 49.8 -70.4 -37.4 -11.1 19.5 -34.5 208 209 A V H > S+ 0 0 3 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.889 110.3 52.1 -65.1 -36.3 -8.9 16.5 -35.2 209 210 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.941 107.0 52.3 -64.6 -44.6 -10.5 16.3 -38.7 210 211 A K H < S+ 0 0 116 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.859 117.2 38.8 -61.0 -37.1 -9.7 20.0 -39.4 211 212 A N H >< S+ 0 0 45 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.917 117.9 47.1 -76.7 -41.7 -6.1 19.5 -38.5 212 213 A L H >X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 3,-0.7 0.693 93.5 77.3 -77.5 -19.6 -5.6 16.1 -40.1 213 214 A V T 3< S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.777 99.6 42.0 -63.8 -28.4 -7.2 17.0 -43.3 214 215 A N T <4 S+ 0 0 130 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.514 122.3 40.1 -93.0 -9.7 -4.1 18.9 -44.5 215 216 A I T <4 S+ 0 0 37 -3,-0.7 -22,-0.4 -4,-0.3 -2,-0.2 0.809 104.8 69.2 -99.5 -54.6 -1.6 16.2 -43.2 216 217 A A < - 0 0 0 -4,-3.1 -22,-0.2 1,-0.1 3,-0.1 -0.342 61.8-151.7 -68.8 146.0 -3.4 12.9 -44.1 217 218 A D S S+ 0 0 88 -24,-2.5 2,-0.3 1,-0.3 -23,-0.2 0.698 88.2 20.4 -77.1 -27.8 -3.9 11.6 -47.6 218 219 A K E -i 194 0C 58 -25,-1.0 -23,-2.1 2,-0.0 2,-0.5 -0.996 60.1-158.6-145.6 141.0 -7.0 9.8 -46.4 219 220 A I E -ij 195 261C 0 41,-2.7 43,-2.6 -2,-0.3 2,-0.5 -0.988 16.0-161.8-121.5 113.8 -9.4 10.1 -43.6 220 221 A I E -ij 196 262C 0 -25,-3.3 -23,-4.0 -2,-0.5 2,-0.5 -0.842 8.9-163.1 -96.8 127.7 -11.3 6.9 -43.0 221 222 A I E +i 197 0C 0 41,-2.8 2,-0.2 -2,-0.5 -23,-0.2 -0.954 22.4 138.6-123.8 125.4 -14.4 7.3 -40.9 222 223 A G + 0 0 0 -25,-3.4 3,-0.4 -2,-0.5 99,-0.1 -0.669 30.7 68.4-140.0-160.9 -16.5 4.7 -39.1 223 224 A G S > S- 0 0 2 97,-1.6 3,-1.5 -2,-0.2 4,-0.4 -0.208 106.5 -44.3 70.1-169.6 -18.3 4.1 -35.9 224 225 A G T > S+ 0 0 24 1,-0.3 3,-1.2 95,-0.2 4,-0.5 0.802 133.1 66.8 -65.5 -28.3 -21.4 6.0 -35.0 225 226 A M T 3> S+ 0 0 0 -26,-3.1 4,-0.7 -3,-0.4 3,-0.4 0.689 87.7 70.7 -64.8 -20.5 -20.1 9.3 -36.2 226 227 A A H <> S+ 0 0 0 -3,-1.5 4,-1.8 -27,-0.3 3,-0.3 0.765 83.6 67.5 -66.2 -29.2 -20.1 7.9 -39.8 227 228 A Y H <> S+ 0 0 2 -3,-1.2 4,-2.5 -4,-0.4 -1,-0.2 0.847 93.8 57.8 -70.1 -29.6 -23.9 8.0 -40.1 228 229 A T H > S+ 0 0 1 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.906 107.2 49.3 -58.8 -42.8 -24.0 11.8 -40.0 229 230 A F H X S+ 0 0 0 -4,-0.7 4,-0.7 -3,-0.3 -2,-0.2 0.894 109.1 51.6 -65.9 -41.0 -21.7 11.8 -43.0 230 231 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 3,-1.0 0.914 109.3 49.7 -60.1 -47.7 -23.8 9.3 -44.9 231 232 A K H ><5S+ 0 0 65 -4,-2.5 3,-2.5 1,-0.2 -2,-0.2 0.923 105.1 58.3 -55.3 -43.4 -26.9 11.5 -44.2 232 233 A A H 3<5S+ 0 0 12 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.695 102.6 55.8 -60.9 -21.3 -24.8 14.5 -45.5 233 234 A Q T <<5S- 0 0 89 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.294 127.0-100.5 -91.5 1.8 -24.5 12.5 -48.8 234 235 A G T < 5S+ 0 0 69 -3,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.595 78.5 135.0 89.8 9.6 -28.2 12.1 -49.2 235 236 A K < - 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