==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-02 1N5J . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR E.FIORAVANTI,A.HAOUZ,T.URSBY,H.MUNIER-LEHMANN,M.DELARUE, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.6 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 . 11 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.8 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 0 0 1 0 3 1 0 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 . 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 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 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 58 0, 0.0 90,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 138.6 42.6 8.7 23.4 2 2 A L E -a 91 0A 5 88,-0.2 132,-1.9 130,-0.1 133,-1.6 -0.930 360.0-178.6-112.2 120.4 39.7 8.5 20.9 3 3 A I E -ab 92 135A 0 88,-3.0 90,-3.3 -2,-0.5 2,-0.4 -0.952 9.5-160.3-120.3 135.5 36.7 10.8 21.4 4 4 A A E -ab 93 136A 0 131,-2.3 133,-3.2 -2,-0.4 2,-0.6 -0.955 7.7-149.9-117.0 132.9 33.6 11.0 19.3 5 5 A I E -ab 94 137A 0 88,-3.2 90,-2.0 -2,-0.4 2,-0.3 -0.902 24.5-177.9-102.0 123.0 31.3 14.0 19.2 6 6 A E E + b 0 138A 0 131,-3.4 133,-2.8 -2,-0.6 2,-0.2 -0.794 16.8 115.3-121.1 162.7 27.6 13.0 18.5 7 7 A G - 0 0 0 -2,-0.3 3,-0.1 131,-0.2 133,-0.1 -0.818 57.5 -68.3 155.5 164.2 24.3 14.8 18.1 8 8 A V S > S- 0 0 10 131,-0.3 3,-1.6 -2,-0.2 5,-0.3 -0.089 71.7 -66.8 -70.2 174.9 21.5 15.6 15.6 9 9 A D T 3 S+ 0 0 23 1,-0.3 141,-0.2 2,-0.1 -1,-0.2 -0.445 123.7 14.5 -66.1 132.6 21.9 17.8 12.6 10 10 A G T 3 S+ 0 0 2 -2,-0.2 -1,-0.3 139,-0.1 139,-0.2 0.663 84.4 128.8 77.7 16.2 22.6 21.4 13.5 11 11 A A S < S- 0 0 3 -3,-1.6 -2,-0.1 -4,-0.1 -3,-0.1 0.698 83.3-105.1 -75.7 -19.3 23.4 20.5 17.1 12 12 A G S > S+ 0 0 8 -4,-0.2 4,-2.0 134,-0.1 5,-0.2 0.640 72.7 142.5 102.8 20.2 26.7 22.4 16.9 13 13 A K H > + 0 0 15 -5,-0.3 4,-2.4 1,-0.2 5,-0.2 0.907 67.5 53.7 -58.7 -49.1 29.1 19.5 16.7 14 14 A R H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 111.3 47.3 -53.5 -45.9 31.6 21.0 14.2 15 15 A T H > S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 109.8 51.5 -64.5 -42.7 32.0 24.0 16.4 16 16 A L H X S+ 0 0 12 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.887 106.0 56.9 -63.0 -37.4 32.5 22.0 19.6 17 17 A V H X S+ 0 0 11 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.902 110.4 43.8 -59.6 -41.3 35.1 19.9 17.8 18 18 A E H X S+ 0 0 66 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.923 115.9 45.7 -71.6 -44.0 37.1 23.1 17.1 19 19 A K H X S+ 0 0 55 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.890 115.3 48.4 -65.9 -38.0 36.7 24.6 20.6 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.908 108.9 52.2 -68.5 -42.5 37.6 21.3 22.1 21 21 A S H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.923 110.5 50.4 -58.4 -42.7 40.6 20.9 19.9 22 22 A G H X S+ 0 0 36 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.892 109.0 50.2 -62.5 -40.6 41.7 24.3 21.1 23 23 A A H X S+ 0 0 19 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.919 110.6 49.0 -65.3 -44.5 41.2 23.4 24.7 24 24 A F H ><>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 3,-0.5 0.912 112.3 48.4 -61.2 -43.0 43.3 20.3 24.4 25 25 A R H ><5S+ 0 0 139 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.860 105.5 57.3 -66.2 -34.8 46.1 22.1 22.7 26 26 A A H 3<5S+ 0 0 92 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.761 104.7 54.9 -65.4 -23.0 46.0 24.8 25.3 27 27 A A T <<5S- 0 0 72 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.291 125.7-103.6 -92.5 7.6 46.6 22.0 27.7 28 28 A G T < 5S+ 0 0 67 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.594 77.7 133.1 83.1 11.5 49.7 20.9 25.8 29 29 A R < - 0 0 39 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.778 56.8-123.4-100.2 140.4 48.2 17.9 24.1 30 30 A S - 0 0 48 -2,-0.4 60,-2.3 57,-0.0 59,-0.6 -0.631 34.1-161.9 -78.8 135.7 48.6 17.2 20.3 31 31 A V E -c 90 0A 6 -2,-0.3 2,-0.4 58,-0.2 60,-0.2 -0.954 18.6-177.8-129.0 141.9 45.2 16.8 18.6 32 32 A A E -c 91 0A 9 58,-2.2 60,-2.8 -2,-0.4 2,-0.4 -0.978 12.0-160.0-130.3 143.4 43.9 15.4 15.3 33 33 A T E -c 92 0A 74 -2,-0.4 2,-0.4 58,-0.2 60,-0.2 -0.965 8.8-177.7-128.8 146.2 40.3 15.5 14.1 34 34 A L E -c 93 0A 25 58,-2.3 60,-2.6 -2,-0.4 2,-0.4 -0.998 12.7-150.4-141.2 135.1 38.4 13.5 11.5 35 35 A A E -c 94 0A 47 -2,-0.4 60,-0.2 58,-0.2 61,-0.1 -0.874 19.0-114.9-113.2 140.8 34.8 13.9 10.4 36 36 A F S S+ 0 0 8 58,-2.6 2,-0.1 -2,-0.4 34,-0.0 -0.927 93.5 48.1-115.9 142.6 32.3 11.3 9.1 37 37 A P S S- 0 0 19 0, 0.0 2,-1.9 0, 0.0 -2,-0.1 0.535 83.7-142.6 -70.0 149.0 31.0 10.9 6.5 38 38 A R >> - 0 0 24 -2,-0.1 3,-1.9 2,-0.1 4,-1.3 -0.495 22.0-159.6 -83.8 72.9 34.4 11.3 4.8 39 39 A Y T 34 S+ 0 0 135 -2,-1.9 4,-0.1 1,-0.3 -4,-0.1 -0.179 73.8 14.2 -55.7 130.8 33.1 13.2 1.7 40 40 A G T 34 S+ 0 0 63 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.072 122.0 64.2 91.4 -27.9 35.5 13.0 -1.2 41 41 A Q T <4 S+ 0 0 144 -3,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.603 99.5 50.2-103.6 -14.8 37.5 10.2 0.3 42 42 A S X - 0 0 12 -4,-1.3 4,-2.2 1,-0.1 -2,-0.4 -0.988 60.0-158.5-129.1 122.7 34.9 7.4 0.3 43 43 A V H > S+ 0 0 109 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.910 100.1 55.1 -62.2 -41.6 32.7 6.5 -2.7 44 44 A A H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 108.3 48.1 -57.2 -44.0 30.2 5.0 -0.2 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 112.1 48.5 -64.3 -44.2 30.0 8.3 1.7 46 46 A D H X S+ 0 0 48 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.929 111.9 48.5 -63.2 -45.5 29.6 10.3 -1.5 47 47 A I H X S+ 0 0 55 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.912 109.6 54.1 -61.9 -40.1 26.8 8.1 -2.8 48 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.938 110.7 44.8 -58.4 -49.5 25.1 8.2 0.5 49 49 A A H X S+ 0 0 22 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.918 113.1 51.1 -61.2 -45.0 25.0 12.0 0.5 50 50 A E H ><>S+ 0 0 71 -4,-2.6 5,-2.4 1,-0.2 3,-0.7 0.877 108.3 52.6 -60.7 -38.5 23.9 12.0 -3.1 51 51 A A H ><5S+ 0 0 5 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.902 105.5 53.9 -64.5 -41.0 21.1 9.6 -2.2 52 52 A L H 3<5S+ 0 0 12 -4,-2.1 112,-2.3 1,-0.3 -1,-0.2 0.641 106.6 54.3 -69.6 -12.6 19.9 11.9 0.6 53 53 A H T <<5S- 0 0 100 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.193 133.2 -83.7-104.9 15.4 19.7 14.7 -1.9 54 54 A G T < 5S+ 0 0 71 -3,-1.7 -3,-0.2 1,-0.3 3,-0.2 0.422 89.6 113.9 105.0 -1.5 17.5 12.8 -4.3 55 55 A E < + 0 0 110 -5,-2.4 5,-0.4 1,-0.2 -1,-0.3 -0.367 49.1 46.8 -98.9 178.5 19.8 10.7 -6.5 56 56 A H S > S- 0 0 79 -2,-0.1 3,-2.1 3,-0.1 4,-0.2 0.885 93.7-107.0 60.7 48.5 20.3 6.9 -6.9 57 57 A G T 3 S- 0 0 79 1,-0.2 3,-0.4 -3,-0.2 4,-0.1 -0.032 88.5 -7.3 43.4-126.2 16.8 5.7 -7.2 58 58 A D T > S+ 0 0 130 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.238 100.7 107.4 -87.4 13.5 15.4 3.8 -4.2 59 59 A L G X S+ 0 0 36 -3,-2.1 3,-1.8 1,-0.2 7,-0.3 0.938 77.4 49.1 -57.4 -52.9 18.6 3.7 -2.3 60 60 A A G 3 S+ 0 0 15 -3,-0.4 -1,-0.2 -5,-0.4 -2,-0.1 0.705 98.0 70.0 -62.2 -21.3 17.8 6.2 0.4 61 61 A S G < S+ 0 0 90 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.3 0.690 85.1 81.8 -71.5 -16.7 14.4 4.5 1.1 62 62 A S <> - 0 0 50 -3,-1.8 4,-1.7 -4,-0.5 5,-0.2 -0.806 64.0-162.5 -93.3 120.9 16.3 1.6 2.6 63 63 A V H > S+ 0 0 17 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.923 93.3 45.1 -66.2 -43.7 17.3 2.2 6.2 64 64 A Y H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.804 107.8 57.8 -72.3 -28.1 19.9 -0.6 6.2 65 65 A A H > S+ 0 0 32 2,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.938 109.8 44.3 -65.5 -47.0 21.3 0.4 2.8 66 66 A M H X S+ 0 0 1 -4,-1.7 4,-2.0 -7,-0.3 5,-0.2 0.922 113.6 50.4 -63.6 -44.7 22.1 3.9 4.1 67 67 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.907 109.2 52.4 -60.3 -40.9 23.6 2.4 7.3 68 68 A T H X S+ 0 0 54 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.896 106.7 52.2 -63.6 -40.2 25.7 0.1 5.3 69 69 A L H X S+ 0 0 27 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.922 111.4 46.2 -62.7 -42.6 27.2 2.9 3.2 70 70 A F H X S+ 0 0 29 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.851 113.5 49.7 -68.6 -32.9 28.2 4.8 6.3 71 71 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.878 109.0 51.6 -71.8 -38.2 29.6 1.7 7.9 72 72 A L H X S+ 0 0 92 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.834 107.2 54.7 -66.9 -31.7 31.6 1.0 4.7 73 73 A D H >< S+ 0 0 0 -4,-1.7 3,-0.8 -5,-0.2 4,-0.2 0.978 111.9 42.4 -63.5 -54.6 32.9 4.5 4.8 74 74 A R H >< S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 4,-0.4 0.826 107.4 61.6 -61.6 -32.3 34.2 4.0 8.4 75 75 A A H >< S+ 0 0 30 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.852 102.8 51.8 -63.2 -32.4 35.5 0.5 7.4 76 76 A G T << S+ 0 0 53 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.481 106.5 55.6 -82.3 -1.0 37.8 2.2 5.0 77 77 A A T <> S+ 0 0 0 -3,-1.5 4,-2.9 -4,-0.2 5,-0.2 0.361 73.0 102.6-110.1 2.5 39.1 4.5 7.7 78 78 A V H <> S+ 0 0 19 -3,-0.8 4,-2.6 -4,-0.4 5,-0.2 0.918 85.8 44.3 -51.6 -51.3 40.2 1.9 10.2 79 79 A H H > S+ 0 0 154 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 113.1 52.0 -62.0 -41.9 43.9 2.4 9.3 80 80 A T H > S+ 0 0 63 2,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.935 111.7 46.4 -60.4 -47.6 43.6 6.1 9.3 81 81 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.942 113.3 47.1 -61.3 -50.2 42.0 6.2 12.7 82 82 A Q H X S+ 0 0 101 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.864 111.4 54.2 -61.1 -34.5 44.5 3.8 14.3 83 83 A G H X S+ 0 0 39 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.919 108.0 47.8 -65.1 -44.3 47.3 5.9 12.7 84 84 A L H X S+ 0 0 34 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.882 107.2 57.7 -63.8 -39.7 46.0 9.1 14.2 85 85 A C H < S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.2 42.3 -62.0 -34.9 45.7 7.4 17.6 86 86 A R H < S+ 0 0 109 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.621 118.6 46.9 -87.6 -9.7 49.4 6.5 17.7 87 87 A G H < S+ 0 0 55 -4,-0.9 2,-0.3 -3,-0.5 -2,-0.2 0.717 113.5 39.5-101.4 -24.7 50.5 9.8 16.3 88 88 A Y S < S- 0 0 103 -4,-2.4 -57,-0.1 -5,-0.1 3,-0.1 -0.883 70.3-129.4-126.2 158.2 48.5 12.3 18.5 89 89 A D S S+ 0 0 88 -59,-0.6 2,-0.4 -2,-0.3 -58,-0.2 0.890 98.3 24.8 -69.1 -40.5 47.6 12.5 22.1 90 90 A V E - c 0 31A 2 -60,-2.3 -58,-2.2 -3,-0.1 2,-0.5 -0.988 62.5-167.1-131.7 136.0 43.9 13.0 21.3 91 91 A V E -ac 2 32A 0 -90,-2.5 -88,-3.0 -2,-0.4 2,-0.5 -0.985 11.2-163.4-122.9 119.6 41.8 12.1 18.2 92 92 A I E -ac 3 33A 0 -60,-2.8 -58,-2.3 -2,-0.5 2,-0.5 -0.909 2.4-157.9-108.2 125.3 38.4 13.7 17.9 93 93 A L E -ac 4 34A 0 -90,-3.3 -88,-3.2 -2,-0.5 2,-1.2 -0.881 12.9-144.3-104.4 129.5 35.8 12.3 15.5 94 94 A D E S-ac 5 35A 32 -60,-2.6 -58,-2.6 -2,-0.5 -88,-0.1 -0.797 84.6 -14.0 -92.0 95.1 33.0 14.5 14.3 95 95 A R S S+ 0 0 30 -90,-2.0 -59,-0.2 -2,-1.2 2,-0.2 0.353 79.3 172.0 81.1 144.3 30.3 11.8 14.2 96 96 A Y >> - 0 0 0 -92,-0.1 3,-1.3 -3,-0.1 4,-0.7 -0.676 53.3 -37.4-154.7-151.6 31.1 8.1 14.5 97 97 A V H >> S+ 0 0 0 1,-0.3 4,-1.4 -2,-0.2 3,-0.7 0.843 124.5 62.5 -55.8 -39.1 29.5 4.7 14.9 98 98 A A H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.793 92.3 66.1 -60.2 -28.1 26.7 5.9 17.3 99 99 A S H <> S+ 0 0 12 -3,-1.3 4,-2.5 1,-0.2 5,-0.3 0.941 102.0 48.8 -58.1 -44.5 25.4 8.2 14.5 100 100 A N H S+ 0 0 0 -4,-2.0 5,-3.0 -5,-0.3 4,-0.3 0.934 113.9 50.5 -62.1 -45.9 16.8 3.3 15.0 106 106 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.2 -5,-0.2 -2,-0.2 0.879 106.3 53.3 -61.5 -40.8 14.9 6.6 14.6 107 107 A R H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.850 115.1 42.8 -63.7 -31.8 14.1 6.0 11.0 108 108 A L T 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.347 112.8-119.6 -94.5 4.8 12.6 2.6 12.0 109 109 A H T < 5 + 0 0 135 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.2 0.833 69.2 136.3 59.4 34.0 10.8 4.1 15.1 110 110 A E < - 0 0 53 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.2 -0.566 49.5-124.6-103.0 169.5 12.9 1.7 17.4 111 111 A N > - 0 0 79 -2,-0.2 3,-2.0 -3,-0.1 6,-0.4 -0.515 38.0 -87.2-106.5-179.1 14.6 2.6 20.6 112 112 A A T 3 S+ 0 0 4 1,-0.3 66,-0.0 -2,-0.2 -7,-0.0 0.736 127.1 55.2 -60.7 -24.9 18.3 2.1 21.7 113 113 A A T 3 S+ 0 0 87 4,-0.1 -1,-0.3 5,-0.0 0, 0.0 0.312 96.5 105.6 -90.8 9.6 17.6 -1.5 22.8 114 114 A G S <> S- 0 0 17 -3,-2.0 4,-1.5 1,-0.0 5,-0.1 -0.012 86.0 -89.3 -83.9-173.3 16.2 -2.3 19.4 115 115 A K H > S+ 0 0 164 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.900 116.6 50.5 -61.7 -51.5 17.2 -4.3 16.3 116 116 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 110.6 48.8 -59.2 -45.6 19.0 -1.5 14.3 117 117 A A H > S+ 0 0 1 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.902 112.6 49.0 -61.9 -40.5 21.3 -0.4 17.2 118 118 A A H X S+ 0 0 41 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.877 109.8 52.4 -66.0 -37.3 22.2 -4.1 17.8 119 119 A W H X S+ 0 0 42 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.901 108.6 49.5 -65.0 -42.9 22.9 -4.5 14.1 120 120 A V H X>S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.7 0.917 110.3 51.7 -62.3 -42.2 25.3 -1.5 14.1 121 121 A Q H X>S+ 0 0 48 -4,-2.1 5,-1.5 1,-0.2 4,-0.9 0.945 113.5 43.8 -59.1 -49.7 27.0 -2.9 17.1 122 122 A R H <>S+ 0 0 146 -4,-2.4 5,-2.2 3,-0.2 -2,-0.2 0.898 121.0 38.1 -63.7 -45.2 27.6 -6.3 15.5 123 123 A I H <>S+ 0 0 27 -4,-2.7 5,-2.8 3,-0.2 6,-0.2 0.943 123.1 32.9 -75.9 -51.3 28.6 -5.0 12.1 124 124 A E H <5S+ 0 0 0 -4,-2.3 6,-2.5 -5,-0.3 -3,-0.2 0.931 128.1 29.3 -76.5 -47.8 30.8 -2.0 12.8 125 125 A F T < - 0 0 71 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.361 35.3-129.0 -62.9 142.3 16.3 21.1 21.5 143 143 A A H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.879 108.2 54.7 -59.3 -38.6 15.1 19.6 18.2 144 144 A E H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 109.6 44.2 -61.6 -50.3 13.6 23.0 17.3 145 145 A L H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.909 113.5 50.7 -62.6 -43.8 16.8 25.0 17.7 146 146 A A H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.893 110.1 50.7 -61.6 -40.0 18.9 22.4 15.9 147 147 A G H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.866 107.1 54.0 -65.9 -35.7 16.3 22.5 13.0 148 148 A E H X S+ 0 0 83 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.876 107.5 50.2 -66.0 -37.8 16.6 26.2 12.9 149 149 A R H X S+ 0 0 109 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.879 110.1 50.7 -68.4 -36.5 20.4 26.0 12.5 150 150 A S H X S+ 0 0 6 -4,-1.8 4,-1.6 -141,-0.2 -2,-0.2 0.917 112.5 45.9 -65.8 -44.5 20.0 23.5 9.7 151 151 A R H X S+ 0 0 149 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.912 111.3 53.1 -64.7 -42.5 17.5 25.8 7.9 152 152 A G H X S+ 0 0 26 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.883 105.7 53.3 -60.6 -41.0 19.7 28.8 8.4 153 153 A R H X S+ 0 0 42 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.903 109.1 48.9 -60.1 -43.9 22.8 27.1 6.9 154 154 A A H < S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.835 107.5 56.5 -65.7 -34.6 20.8 26.3 3.8 155 155 A Q H < S+ 0 0 172 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 117.0 32.0 -67.3 -36.7 19.6 29.9 3.5 156 156 A R H < S+ 0 0 176 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.475 119.6 52.7-101.6 -2.3 23.0 31.4 3.4 157 157 A D >< - 0 0 62 -4,-1.1 3,-2.2 -5,-0.2 -1,-0.2 -0.877 56.4-167.7-137.8 104.4 25.0 28.7 1.7 158 158 A P G > S+ 0 0 129 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.750 92.2 60.7 -60.9 -22.4 23.8 27.3 -1.6 159 159 A G G 3 S+ 0 0 68 1,-0.2 -5,-0.1 2,-0.0 -2,-0.0 0.429 100.8 56.3 -85.2 2.6 26.2 24.4 -1.2 160 160 A R G < + 0 0 124 -3,-2.2 -1,-0.2 -7,-0.2 -3,-0.1 -0.175 67.1 158.3-127.8 42.9 24.5 23.3 2.0 161 161 A A < - 0 0 45 -3,-0.6 -10,-0.1 1,-0.1 -6,-0.0 -0.282 50.6 -97.9 -61.1 151.9 20.9 22.6 1.1 162 162 A R - 0 0 48 -11,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.341 38.6-141.5 -71.6 156.6 19.2 20.3 3.6 163 163 A D > - 0 0 20 -3,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.451 35.7 -79.5-108.2-175.0 18.8 16.6 2.8 164 164 A N T 4 S+ 0 0 84 -112,-2.3 4,-0.4 1,-0.2 -111,-0.1 0.837 129.2 45.6 -55.5 -38.9 16.1 14.0 3.3 165 165 A Y T >4 S+ 0 0 17 1,-0.2 3,-1.0 2,-0.2 7,-0.3 0.914 112.2 50.5 -71.7 -44.0 17.0 13.5 7.0 166 166 A E T 34 S+ 0 0 38 1,-0.2 -2,-0.2 5,-0.1 -1,-0.2 0.804 107.6 53.2 -64.3 -31.3 17.3 17.2 7.8 167 167 A R T 3< S+ 0 0 139 -4,-2.1 2,-1.1 1,-0.1 -1,-0.2 0.577 91.0 86.0 -80.2 -10.5 13.9 18.0 6.3 168 168 A D <> + 0 0 54 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 -0.758 55.4 179.5 -95.1 91.5 12.3 15.3 8.5 169 169 A A H > S+ 0 0 43 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.886 81.0 51.2 -59.8 -42.3 11.6 17.1 11.8 170 170 A E H > S+ 0 0 105 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.880 109.2 50.9 -64.4 -38.7 10.1 14.0 13.4 171 171 A L H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 109.2 51.0 -63.6 -45.0 13.1 11.9 12.5 172 172 A Q H X S+ 0 0 17 -4,-2.2 4,-1.8 -7,-0.3 -2,-0.2 0.887 111.3 48.8 -59.2 -39.2 15.4 14.6 14.0 173 173 A Q H X S+ 0 0 107 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.942 113.2 45.4 -66.5 -48.4 13.3 14.5 17.2 174 174 A R H X S+ 0 0 61 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.847 110.2 55.8 -64.3 -33.9 13.3 10.7 17.4 175 175 A T H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.909 105.3 51.2 -65.6 -41.7 17.1 10.6 16.7 176 176 A G H X S+ 0 0 30 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.899 109.9 51.2 -61.6 -39.4 17.7 13.0 19.6 177 177 A A H X S+ 0 0 59 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.876 109.4 48.1 -66.7 -39.6 15.7 10.7 21.9 178 178 A V H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.905 108.0 56.8 -67.8 -38.8 17.6 7.5 20.8 179 179 A Y H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 104.7 52.0 -56.0 -45.9 20.9 9.4 21.4 180 180 A A H X S+ 0 0 54 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.875 111.0 47.5 -59.6 -38.5 19.9 10.1 25.0 181 181 A E H X S+ 0 0 81 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.912 108.9 53.4 -68.5 -44.5 19.1 6.4 25.5 182 182 A L H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.5 0.933 111.4 46.4 -55.8 -46.8 22.4 5.3 24.0 183 183 A A H ><5S+ 0 0 15 -4,-2.5 3,-1.1 1,-0.2 8,-0.3 0.911 108.9 55.4 -62.7 -43.2 24.3 7.7 26.4 184 184 A A H 3<5S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 114.0 39.9 -60.3 -34.1 22.3 6.5 29.4 185 185 A Q H 3<5S- 0 0 105 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.410 109.7-120.1 -96.4 2.4 23.3 2.8 28.7 186 186 A G T X<5 - 0 0 32 -3,-1.1 3,-1.4 -4,-0.5 2,-0.2 0.900 37.5-164.0 61.2 42.2 26.8 3.6 27.8 187 187 A W T 3 - 0 0 24 -2,-0.3 3,-1.5 -56,-0.2 -54,-0.1 -0.447 40.5 -89.7-106.5-176.9 24.6 21.4 26.3 196 196 A A T 3 S+ 0 0 86 -56,-0.3 -55,-0.1 1,-0.3 -57,-0.0 0.740 124.5 56.0 -65.7 -22.7 25.3 24.3 24.0 197 197 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.329 75.7 136.6 -93.0 7.1 26.8 26.2 26.9 198 198 A V < - 0 0 34 -3,-1.5 3,-0.1 1,-0.1 -4,-0.1 -0.210 59.2-118.3 -55.5 143.8 29.4 23.6 27.9 199 199 A D > - 0 0 87 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.788 13.8-150.7 -89.6 116.9 32.8 25.0 28.7 200 200 A P H > S+ 0 0 36 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.818 94.8 55.2 -53.8 -35.6 35.5 23.7 26.3 201 201 A G H > S+ 0 0 41 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.935 112.7 38.6 -66.6 -47.9 38.1 24.0 29.0 202 202 A R H > S+ 0 0 198 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 114.8 55.3 -72.2 -32.8 36.4 21.9 31.6 203 203 A L H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.919 107.7 48.8 -65.1 -42.3 35.1 19.5 29.0 204 204 A A H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.818 109.7 53.6 -66.1 -30.6 38.7 18.9 27.8 205 205 A A H < S+ 0 0 68 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.901 108.7 48.1 -69.8 -42.1 39.8 18.4 31.4 206 206 A T H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 117.8 42.2 -65.2 -38.2 37.1 15.7 32.0 207 207 A L H < 0 0 3 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.825 360.0 360.0 -79.3 -33.7 38.1 14.0 28.8 208 208 A A < 0 0 81 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.982 360.0 360.0 -81.8 360.0 41.9 14.3 29.2