==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-00 1E2F . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,I.SCHLICHTING,R.BRUNDIERS,M.KONRAD,J.REINSTEIN,T . 210 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 . 17 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 0 2 1 0 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 3 A A 0 0 146 0, 0.0 87,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 117.2 -8.7 64.8 1.3 2 4 A R - 0 0 208 1,-0.1 2,-0.1 85,-0.1 200,-0.1 -0.119 360.0-136.9 -52.6 119.3 -8.9 65.8 5.1 3 5 A R - 0 0 40 198,-0.3 83,-0.2 1,-0.1 82,-0.1 -0.374 18.2-112.3 -74.8 159.3 -5.9 67.5 6.5 4 6 A G - 0 0 2 81,-2.3 2,-0.3 85,-0.3 86,-0.2 -0.285 32.6-109.0 -79.2 165.1 -4.3 66.8 9.9 5 7 A A - 0 0 0 83,-0.2 86,-2.5 188,-0.0 2,-0.7 -0.766 16.3-134.7 -94.2 148.3 -4.4 69.3 12.8 6 8 A L E -a 91 0A 0 -2,-0.3 120,-2.7 118,-0.2 121,-1.2 -0.891 29.2-176.7-103.5 110.2 -1.4 71.2 14.1 7 9 A I E -ab 92 127A 0 84,-3.2 86,-3.0 -2,-0.7 2,-0.4 -0.950 5.4-165.8-113.2 125.0 -1.5 70.9 17.9 8 10 A V E -ab 93 128A 0 119,-2.5 121,-3.1 -2,-0.5 2,-0.5 -0.883 8.4-154.3-111.5 141.3 1.0 72.7 20.1 9 11 A L E +ab 94 129A 0 84,-3.0 86,-2.3 -2,-0.4 2,-0.3 -0.946 22.4 170.7-111.1 125.3 1.8 72.1 23.8 10 12 A E E + b 0 130A 0 119,-2.8 121,-2.9 -2,-0.5 2,-0.2 -0.816 10.9 125.0-125.1 167.8 3.3 75.1 25.7 11 13 A G - 0 0 0 -2,-0.3 121,-0.1 119,-0.2 3,-0.1 -0.814 57.4 -75.5 157.1 162.9 3.9 75.8 29.3 12 14 A V S > S- 0 0 3 119,-0.5 3,-1.3 -2,-0.2 5,-0.3 -0.157 76.4 -58.6 -67.1-179.5 6.7 76.8 31.7 13 15 A D T 3 S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.1 142,-0.0 -0.370 120.7 14.3 -72.6 141.0 9.2 74.2 32.7 14 16 A R T 3 S+ 0 0 58 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.589 83.9 122.7 74.0 17.5 8.1 71.0 34.4 15 17 A A S < S- 0 0 2 -3,-1.3 -2,-0.1 116,-0.1 -1,-0.0 0.698 89.1-100.0 -75.7 -22.4 4.5 71.5 33.5 16 18 A G S > S+ 0 0 17 -4,-0.2 4,-3.0 -5,-0.1 5,-0.3 0.592 73.3 143.5 112.1 15.6 4.4 68.2 31.7 17 19 A K H > S+ 0 0 11 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.918 76.7 39.7 -55.3 -47.7 4.8 69.2 28.0 18 20 A S H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 116.3 49.3 -75.0 -38.8 6.9 66.3 26.9 19 21 A T H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.938 116.3 43.1 -61.2 -47.2 5.1 63.7 28.9 20 22 A Q H X S+ 0 0 6 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.849 110.8 55.1 -71.2 -31.0 1.7 64.9 27.6 21 23 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.952 111.4 45.0 -64.9 -41.6 3.0 65.3 24.0 22 24 A R H X S+ 0 0 135 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 115.2 46.6 -66.0 -44.6 4.2 61.6 24.0 23 25 A K H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.824 109.6 55.4 -66.3 -35.5 1.0 60.3 25.6 24 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.946 108.7 45.5 -62.9 -49.0 -1.2 62.3 23.3 25 27 A V H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.949 113.2 52.2 -60.4 -42.1 0.4 60.9 20.1 26 28 A E H X S+ 0 0 128 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.893 112.8 43.7 -57.5 -49.5 0.2 57.4 21.6 27 29 A A H X S+ 0 0 22 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.854 112.0 51.7 -66.2 -40.9 -3.5 57.7 22.4 28 30 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 3,-0.7 0.940 111.3 47.6 -63.1 -44.2 -4.4 59.3 19.1 29 31 A C H ><5S+ 0 0 61 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.895 109.0 54.0 -64.7 -35.4 -2.7 56.5 17.1 30 32 A A H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.706 106.1 54.3 -69.7 -21.6 -4.4 53.9 19.3 31 33 A A T <<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.105 128.8 -95.5 -97.0 17.6 -7.8 55.5 18.4 32 34 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.494 81.4 130.1 87.0 2.4 -7.1 55.2 14.7 33 35 A H < - 0 0 48 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.3 -0.572 60.2-125.1 -84.4 157.2 -5.7 58.6 13.9 34 36 A R + 0 0 136 54,-0.4 56,-2.7 -2,-0.2 2,-0.3 -0.921 50.2 156.6 -90.9 111.1 -2.5 59.2 12.0 35 37 A A E -c 90 0A 9 -2,-0.7 2,-0.3 54,-0.2 56,-0.2 -0.994 21.3-171.5-142.4 145.0 -0.5 61.4 14.4 36 38 A E E -c 91 0A 73 54,-2.4 56,-2.5 -2,-0.3 2,-0.4 -0.955 20.8-118.7-137.2 152.5 3.2 62.1 14.9 37 39 A L E +c 92 0A 53 -2,-0.3 2,-0.3 54,-0.2 56,-0.2 -0.784 27.8 172.1 -95.3 136.9 5.3 63.9 17.4 38 40 A L E -c 93 0A 18 54,-2.7 56,-2.5 -2,-0.4 2,-0.3 -0.898 8.3-168.3-130.0 160.3 7.6 67.0 16.8 39 41 A R E -c 94 0A 84 -2,-0.3 56,-0.2 54,-0.2 57,-0.1 -0.992 19.1-107.6-146.3 154.2 9.5 69.1 19.3 40 42 A F S S+ 0 0 10 54,-2.5 2,-0.2 -2,-0.3 30,-0.0 -0.994 99.6 42.7-130.3 140.5 11.3 72.5 19.3 41 43 A P S S- 0 0 20 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.546 80.6-155.4 -69.6 151.9 14.1 73.0 19.4 42 44 A E > - 0 0 27 -2,-0.2 3,-0.9 1,-0.1 6,-0.1 -0.879 10.6-169.0 -93.0 98.5 14.8 70.1 17.0 43 45 A R T 3 + 0 0 89 -2,-1.0 9,-0.1 1,-0.2 -1,-0.1 0.437 66.2 78.4 -78.4 2.5 18.3 69.4 18.1 44 46 A S T 3 S+ 0 0 74 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.647 78.6 77.0 -84.6 -18.8 19.3 67.0 15.2 45 47 A T S <> S- 0 0 30 -3,-0.9 4,-2.3 1,-0.1 5,-0.2 -0.323 96.2-100.5 -85.6 176.4 19.9 69.6 12.5 46 48 A E H > S+ 0 0 173 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.948 128.5 43.1 -61.6 -43.8 23.0 71.7 12.1 47 49 A I H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 110.5 57.0 -65.0 -40.5 21.1 74.7 13.6 48 50 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 103.4 54.2 -57.4 -38.2 19.7 72.3 16.3 49 51 A K H X S+ 0 0 128 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 106.5 50.7 -63.9 -39.5 23.2 71.4 17.3 50 52 A L H X S+ 0 0 94 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.912 112.3 48.0 -61.9 -40.6 24.2 75.0 17.9 51 53 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.906 109.6 52.1 -68.8 -36.9 21.0 75.5 20.0 52 54 A S H X S+ 0 0 18 -4,-2.5 4,-1.9 -5,-0.2 6,-0.2 0.937 109.7 48.7 -66.8 -41.9 21.7 72.3 22.0 53 55 A S H <>S+ 0 0 36 -4,-2.4 5,-2.3 1,-0.2 6,-0.9 0.947 112.3 49.7 -64.2 -41.1 25.3 73.4 22.8 54 56 A Y H ><5S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.916 110.1 49.2 -60.0 -46.7 24.0 76.9 23.8 55 57 A L H 3<5S+ 0 0 14 -4,-2.6 93,-3.1 1,-0.3 -1,-0.2 0.843 109.2 52.7 -66.3 -29.8 21.3 75.5 26.1 56 58 A Q T 3<5S- 0 0 74 -4,-1.9 -1,-0.3 91,-0.2 -2,-0.2 0.438 113.4-120.2 -82.1 -2.0 23.8 73.2 27.8 57 59 A K T < 5S+ 0 0 116 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.721 81.1 123.9 68.1 23.7 26.0 76.2 28.4 58 60 A K S - 0 0 111 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.331 38.0-120.3 -54.9 137.6 24.7 86.5 21.2 63 65 A D H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.793 109.2 44.6 -59.4 -38.8 21.0 86.9 22.3 64 66 A H H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.923 114.0 51.1 -70.1 -46.1 19.6 88.2 19.1 65 67 A S H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 110.7 48.1 -54.4 -46.4 21.5 85.6 17.1 66 68 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.901 108.5 54.3 -67.8 -33.7 20.3 82.7 19.2 67 69 A H H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.918 110.0 47.1 -60.4 -43.3 16.7 84.0 19.0 68 70 A L H X S+ 0 0 81 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.909 108.9 54.5 -69.2 -34.3 16.9 83.9 15.2 69 71 A L H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 105.7 53.0 -65.7 -40.5 18.5 80.4 15.3 70 72 A F H X S+ 0 0 24 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.896 112.9 44.6 -58.5 -42.0 15.5 79.2 17.3 71 73 A S H >X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 3,-0.8 0.925 111.3 51.4 -68.4 -44.0 13.1 80.6 14.7 72 74 A A H 3X S+ 0 0 36 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.881 102.8 62.0 -59.4 -31.9 15.2 79.2 11.7 73 75 A N H 3< S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.755 107.5 43.8 -64.0 -32.6 15.0 75.8 13.5 74 76 A R H X< S+ 0 0 5 -4,-0.9 3,-1.6 -3,-0.8 4,-0.3 0.905 111.4 52.9 -74.7 -44.9 11.2 76.0 13.1 75 77 A W H >< S+ 0 0 94 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.869 100.0 61.6 -59.0 -38.0 11.3 77.3 9.5 76 78 A E T 3< S+ 0 0 78 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.727 106.5 48.0 -63.9 -17.9 13.6 74.4 8.4 77 79 A Q T <> S+ 0 0 30 -3,-1.6 4,-2.5 -4,-0.3 -1,-0.3 0.389 85.4 93.6 -98.0 -0.6 10.8 72.0 9.4 78 80 A V H <> S+ 0 0 10 -3,-1.8 4,-2.9 -4,-0.3 5,-0.3 0.924 81.2 53.1 -63.2 -41.2 8.0 73.9 7.6 79 81 A P H > S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.951 113.9 44.7 -60.0 -40.8 8.1 71.9 4.3 80 82 A L H > S+ 0 0 60 -4,-0.3 4,-3.1 1,-0.2 5,-0.2 0.891 112.3 51.5 -66.4 -43.6 7.8 68.7 6.4 81 83 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.934 112.4 45.5 -60.2 -46.8 5.0 70.1 8.6 82 84 A K H X S+ 0 0 113 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.912 113.2 50.6 -65.5 -37.4 3.0 71.2 5.6 83 85 A E H X S+ 0 0 106 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.952 112.3 45.8 -65.2 -49.7 3.5 67.9 3.8 84 86 A K H <>S+ 0 0 44 -4,-3.1 5,-2.4 1,-0.2 3,-0.5 0.914 113.8 48.1 -61.0 -46.0 2.4 65.8 6.8 85 87 A L H ><5S+ 0 0 3 -4,-2.5 -81,-2.3 -5,-0.2 3,-1.9 0.941 110.0 52.4 -60.6 -40.5 -0.6 67.9 7.5 86 88 A S H 3<5S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.797 105.3 56.6 -68.1 -24.3 -1.7 67.8 3.8 87 89 A Q T 3<5S- 0 0 91 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.439 126.0-100.3 -83.1 -2.0 -1.4 64.0 4.0 88 90 A G T < 5S+ 0 0 23 -3,-1.9 2,-0.5 -4,-0.3 -54,-0.4 0.527 76.8 140.6 94.8 13.6 -3.9 63.8 6.9 89 91 A V < - 0 0 0 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.773 45.4-141.9 -93.4 121.5 -1.3 63.4 9.6 90 92 A T E - c 0 35A 2 -56,-2.7 -54,-2.4 -2,-0.5 2,-0.5 -0.644 17.1-147.4 -78.0 136.8 -2.0 65.4 12.8 91 93 A L E -ac 6 36A 2 -86,-2.5 -84,-3.2 -2,-0.3 2,-0.6 -0.924 8.9-160.4-114.3 127.7 1.1 66.8 14.4 92 94 A V E -ac 7 37A 0 -56,-2.5 -54,-2.7 -2,-0.5 2,-0.5 -0.952 16.6-162.0-104.3 119.1 1.6 67.2 18.1 93 95 A V E -ac 8 38A 0 -86,-3.0 -84,-3.0 -2,-0.6 2,-1.0 -0.927 16.3-147.3-119.3 120.1 4.4 69.7 18.8 94 96 A D E S-ac 9 39A 18 -56,-2.5 -54,-2.5 -2,-0.5 -84,-0.1 -0.757 79.3 -15.4 -85.3 97.5 6.3 70.1 22.1 95 97 A R S S+ 0 0 46 -86,-2.3 2,-0.2 -2,-1.0 -85,-0.1 0.429 72.6 176.3 74.8 147.0 7.0 73.8 22.2 96 98 A Y >> - 0 0 1 -57,-0.1 4,-1.4 -88,-0.1 3,-0.6 -0.593 55.2 -38.3-151.0-148.2 6.7 76.2 19.3 97 99 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.743 124.7 66.3 -61.2 -26.3 7.1 79.9 18.4 98 100 A F H 3> S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.939 102.9 45.1 -64.1 -44.1 5.4 80.9 21.7 99 101 A S H <> S+ 0 0 11 -3,-0.6 4,-2.7 1,-0.2 5,-0.3 0.896 109.7 58.8 -62.1 -40.2 8.3 79.5 23.8 100 102 A G H X S+ 0 0 8 -4,-1.4 4,-1.6 1,-0.2 5,-0.3 0.915 113.5 36.2 -52.4 -50.0 10.6 81.3 21.2 101 103 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.899 116.6 51.6 -72.8 -44.7 9.0 84.7 22.1 102 104 A A H X S+ 0 0 0 -4,-2.9 4,-0.6 -5,-0.2 59,-0.2 0.897 111.9 46.0 -62.3 -39.7 8.5 84.1 25.8 103 105 A F H >< S+ 0 0 20 -4,-2.7 3,-0.6 2,-0.2 -2,-0.2 0.936 120.1 36.6 -73.6 -45.0 12.1 83.0 26.5 104 106 A T H >< S+ 0 0 2 -4,-1.6 3,-2.2 -5,-0.3 -2,-0.2 0.906 113.1 60.1 -73.7 -32.8 13.9 85.8 24.5 105 107 A G H 3< S+ 0 0 11 -4,-2.5 5,-0.3 1,-0.3 -1,-0.2 0.702 95.0 64.2 -66.8 -18.2 11.2 88.3 25.6 106 108 A A T << S+ 0 0 3 -4,-0.6 -1,-0.3 -3,-0.6 2,-0.2 0.465 87.0 89.2 -77.0 -12.3 12.2 87.5 29.3 107 109 A K S X S- 0 0 20 -3,-2.2 3,-0.9 -4,-0.1 2,-0.0 -0.631 94.3 -91.8 -84.6 154.4 15.7 89.0 28.6 108 110 A E T 3 S+ 0 0 125 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.364 105.3 15.6 -69.3 143.6 16.2 92.7 29.1 109 111 A N T 3 S+ 0 0 151 1,-0.2 2,-0.5 -4,-0.1 -1,-0.2 0.803 90.3 122.2 68.2 29.4 15.6 95.1 26.2 110 112 A F < - 0 0 21 -3,-0.9 2,-0.2 -5,-0.3 -1,-0.2 -0.966 49.7-151.3-120.8 109.4 13.7 92.6 24.0 111 113 A S > - 0 0 65 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.525 20.6-125.5 -78.9 153.0 10.3 93.7 22.9 112 114 A L H > S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 110.9 57.3 -62.5 -38.1 7.6 91.1 22.2 113 115 A D H > S+ 0 0 105 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.954 108.6 43.9 -56.4 -52.8 7.1 92.7 18.8 114 116 A W H 4 S+ 0 0 91 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.900 113.4 52.7 -60.5 -39.6 10.7 92.2 17.7 115 117 A C H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.849 108.6 50.4 -65.1 -37.1 10.7 88.7 19.2 116 118 A K H >X S+ 0 0 51 -4,-2.4 3,-1.3 1,-0.2 4,-0.6 0.823 90.8 79.8 -68.0 -33.2 7.6 87.7 17.2 117 119 A Q G >< S+ 0 0 89 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.802 84.7 54.0 -52.3 -48.8 8.7 88.8 13.8 118 120 A P G 34 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.848 111.7 48.5 -55.1 -31.0 10.9 86.0 12.6 119 121 A D G X4 S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.4 -2,-0.2 0.507 80.1 121.6 -90.4 -4.7 8.1 83.5 13.3 120 122 A V T << S+ 0 0 39 -3,-1.4 89,-0.2 -4,-0.6 90,-0.1 -0.353 76.9 25.1 -59.8 128.6 5.4 85.5 11.5 121 123 A G T 3 S+ 0 0 15 87,-2.9 -1,-0.2 1,-0.3 3,-0.1 0.343 84.8 136.5 100.5 -11.1 4.1 83.3 8.8 122 124 A L S < S- 0 0 0 -3,-2.2 86,-3.4 86,-0.2 -1,-0.3 -0.247 75.0 -72.3 -61.8 162.0 4.8 79.9 10.3 123 125 A P E -E 207 0B 3 0, 0.0 84,-0.2 0, 0.0 -1,-0.2 -0.289 58.1-122.6 -52.2 132.1 2.1 77.3 10.0 124 126 A K E -E 206 0B 51 82,-2.5 82,-0.5 -3,-0.1 -118,-0.2 -0.695 21.5-118.6 -85.8 123.0 -0.6 78.4 12.5 125 127 A P - 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0 0 86 1,-0.1 -3,-0.1 -3,-0.1 -4,-0.0 -0.811 54.6 -63.0-137.1 179.9 14.7 70.2 40.8 144 146 A F - 0 0 82 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.217 41.5-135.8 -69.0 148.1 16.4 72.4 38.3 145 147 A G - 0 0 43 3,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.179 26.5-108.9 -85.8-176.0 18.9 71.2 35.7 146 148 A H S S+ 0 0 88 -2,-0.1 3,-0.1 3,-0.0 -1,-0.1 0.349 82.2 115.8 -97.5 0.3 22.1 72.9 34.9 147 149 A E S > S- 0 0 57 1,-0.1 3,-1.7 2,-0.1 -91,-0.2 -0.216 77.8 -81.1 -74.0 159.9 20.7 74.0 31.6 148 150 A R T 3 S+ 0 0 47 -93,-3.1 -1,-0.1 1,-0.2 -3,-0.1 -0.190 112.7 18.5 -55.9 148.8 20.2 77.6 30.5 149 151 A Y T 3 S+ 0 0 25 1,-0.2 2,-2.0 -3,-0.1 -1,-0.2 0.364 83.0 132.5 72.2 -2.8 17.1 79.4 31.8 150 152 A E < + 0 0 55 -3,-1.7 2,-0.3 4,-0.1 -1,-0.2 -0.432 42.1 96.2 -80.0 65.4 16.6 76.9 34.5 151 153 A N S > S- 0 0 76 -2,-2.0 4,-2.5 1,-0.1 3,-0.2 -0.989 77.9-117.4-148.4 151.5 16.0 79.3 37.4 152 154 A G H > S+ 0 0 45 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.821 108.3 53.4 -58.4 -39.6 13.0 80.8 39.1 153 155 A A H > S+ 0 0 74 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.929 112.7 43.9 -67.0 -40.0 13.5 84.4 38.2 154 156 A F H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 110.9 54.6 -71.0 -40.8 13.8 83.8 34.5 155 157 A Q H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 105.9 53.1 -60.3 -38.2 10.9 81.4 34.5 156 158 A E H X S+ 0 0 96 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.898 108.4 49.3 -62.5 -42.7 8.6 84.0 36.0 157 159 A R H X S+ 0 0 92 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.913 111.4 49.4 -64.7 -36.2 9.5 86.5 33.4 158 160 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.909 108.1 54.2 -66.6 -42.2 8.9 84.0 30.6 159 161 A L H X S+ 0 0 27 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.915 105.5 52.9 -57.4 -42.1 5.5 83.2 32.2 160 162 A R H X S+ 0 0 115 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.919 109.6 49.5 -59.9 -40.7 4.6 86.9 32.1 161 163 A C H X S+ 0 0 16 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 105.9 56.0 -63.7 -43.2 5.4 86.9 28.4 162 164 A F H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.897 105.9 51.5 -56.0 -43.3 3.3 83.8 27.8 163 165 A H H < S+ 0 0 50 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.873 106.6 54.4 -66.5 -29.5 0.2 85.6 29.4 164 166 A Q H >< S+ 0 0 83 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.931 107.9 50.0 -64.8 -40.2 0.8 88.5 27.0 165 167 A L H >< S+ 0 0 6 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.768 100.7 63.9 -68.9 -21.7 0.7 86.1 24.1 166 168 A M T 3< S+ 0 0 33 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.603 85.4 72.4 -78.4 -11.4 -2.5 84.6 25.3 167 169 A K T < S+ 0 0 134 -3,-1.4 2,-1.3 -4,-0.4 -1,-0.3 0.643 73.6 102.7 -72.9 -15.4 -4.3 87.9 24.8 168 170 A D X - 0 0 34 -3,-1.1 3,-1.4 -4,-0.3 5,-0.2 -0.541 52.0-176.0 -72.9 97.5 -4.0 87.1 21.1 169 171 A T T 3 S+ 0 0 136 -2,-1.3 -1,-0.2 1,-0.3 -3,-0.1 0.413 70.7 83.3 -77.1 6.6 -7.5 85.9 20.2 170 172 A T T 3 S+ 0 0 77 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.663 88.8 71.0 -77.9 -8.2 -6.4 85.0 16.6 171 173 A L S < S- 0 0 13 -3,-1.4 2,-1.8 -5,-0.1 -45,-0.1 -0.820 86.9-124.2-115.0 143.4 -5.2 81.8 18.3 172 174 A N + 0 0 65 -47,-0.4 -44,-2.8 -2,-0.3 2,-0.3 -0.546 41.7 179.2 -85.2 78.0 -7.2 78.8 19.7 173 175 A W E -d 128 0A 33 -2,-1.8 2,-0.4 -46,-0.2 -44,-0.2 -0.621 9.5-174.1 -79.8 134.4 -5.7 78.9 23.2 174 176 A K E -d 129 0A 87 -46,-2.5 -44,-2.6 -2,-0.3 2,-0.3 -0.977 17.3-139.3-129.7 127.0 -6.9 76.3 25.7 175 177 A M E -d 130 0A 80 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.571 17.4-162.5 -83.3 138.1 -5.8 76.3 29.4 176 178 A V E -d 131 0A 3 -46,-2.8 -44,-2.7 -2,-0.3 2,-1.4 -0.974 21.8-129.0-122.7 130.0 -5.0 73.0 30.9 177 179 A D E > +d 132 0A 77 -2,-0.4 3,-1.0 1,-0.2 -44,-0.1 -0.680 29.5 179.3 -79.9 93.2 -4.8 72.4 34.7 178 180 A A T 3 + 0 0 2 -46,-2.0 -1,-0.2 -2,-1.4 -45,-0.2 0.423 62.2 85.0 -80.1 5.8 -1.4 70.6 34.7 179 181 A S T 3 S+ 0 0 56 -47,-0.4 -1,-0.2 6,-0.0 3,-0.1 0.619 75.6 86.1 -80.0 -11.8 -1.4 70.2 38.5 180 182 A K S < S- 0 0 82 -3,-1.0 0, 0.0 1,-0.2 0, 0.0 -0.063 95.3 -63.7 -78.5-175.2 -3.5 66.9 38.3 181 183 A S > - 0 0 70 1,-0.1 4,-2.9 4,-0.0 5,-0.3 -0.229 48.4-108.9 -67.0 162.1 -2.2 63.4 37.7 182 184 A I H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 121.6 47.0 -56.5 -44.3 -0.4 62.5 34.5 183 185 A E H > S+ 0 0 114 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 112.4 48.2 -67.4 -36.3 -3.5 60.4 33.5 184 186 A A H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.880 113.3 46.5 -69.8 -42.7 -6.0 63.1 34.4 185 187 A V H X S+ 0 0 4 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.913 110.9 55.1 -63.1 -41.7 -4.1 65.8 32.6 186 188 A H H X S+ 0 0 16 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.936 105.9 50.7 -56.7 -47.9 -3.8 63.4 29.6 187 189 A E H X S+ 0 0 84 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.935 109.6 49.9 -61.1 -40.2 -7.5 62.9 29.4 188 190 A D H X S+ 0 0 60 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.954 114.9 44.5 -59.7 -46.0 -8.3 66.6 29.4 189 191 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 111.2 53.5 -65.9 -39.4 -5.7 67.1 26.6 190 192 A R H X S+ 0 0 62 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.933 109.0 47.9 -64.0 -43.3 -6.9 64.1 24.6 191 193 A V H X S+ 0 0 79 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.929 112.6 48.4 -66.2 -42.7 -10.5 65.3 24.5 192 194 A L H X S+ 0 0 51 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.909 112.2 51.1 -60.6 -41.5 -9.6 68.8 23.5 193 195 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.922 105.8 52.8 -63.4 -45.8 -7.3 67.3 20.8 194 196 A E H X S+ 0 0 57 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.915 109.5 51.3 -57.6 -39.8 -10.0 65.0 19.3 195 197 A D H X S+ 0 0 102 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.937 111.3 46.5 -63.9 -44.9 -12.3 68.1 19.0 196 198 A A H <>S+ 0 0 3 -4,-2.3 5,-1.0 1,-0.2 -1,-0.2 0.900 108.9 54.6 -62.8 -39.8 -9.7 70.1 17.2 197 199 A I H <5S+ 0 0 20 -4,-2.5 4,-0.3 3,-0.2 -1,-0.2 0.924 116.6 38.6 -59.1 -43.2 -8.8 67.3 14.8 198 200 A A H <5S+ 0 0 55 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.975 133.5 17.9 -71.2 -56.7 -12.4 67.0 13.8 199 201 A T T ><5S+ 0 0 63 -4,-3.0 3,-2.9 -5,-0.2 4,-0.3 0.963 114.7 59.2 -84.3 -65.6 -13.4 70.6 13.7 200 202 A A G > 5S+ 0 0 26 -5,-0.5 3,-0.9 1,-0.3 -3,-0.2 0.804 100.9 65.2 -37.8 -34.1 -10.4 72.9 13.5 201 203 A T G 3 -E 123 0B 107 -84,-0.2 3,-1.1 3,-0.2 2,-0.2 -0.949 34.7-114.2-115.2 130.1 -0.4 81.6 9.0 208 210 A L T 3 S- 0 0 0 -86,-3.4 -87,-2.9 -2,-0.4 -86,-0.2 -0.426 87.5 -5.2 -68.6 130.1 0.9 82.6 12.4 209 211 A W T 3 0 0 32 -2,-0.2 -1,-0.2 -89,-0.2 -89,-0.1 0.779 360.0 360.0 63.5 27.3 0.7 86.3 13.4 210 212 A K < 0 0 174 -3,-1.1 -3,-0.2 -90,-0.1 -1,-0.2 -0.938 360.0 360.0-148.4 360.0 -0.5 87.5 10.1