==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-OCT-00 1G3U . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR I.LI DE LA SIERRA,H.MUNIER-LEHMANN,A.M.GILLES,O.BARZU, . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9665.0 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 . 21 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 44.7 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 57 0, 0.0 90,-3.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 132.6 42.8 8.6 23.2 2 2 A L E -a 91 0A 4 88,-0.2 132,-1.9 130,-0.1 133,-1.6 -0.906 360.0-179.6-111.2 118.8 39.8 8.3 20.8 3 3 A I E -ab 92 135A 0 88,-3.0 90,-3.1 -2,-0.6 2,-0.4 -0.944 10.0-160.6-115.6 134.6 36.9 10.7 21.3 4 4 A A E -ab 93 136A 0 131,-2.5 133,-3.0 -2,-0.4 2,-0.5 -0.957 8.5-148.8-113.7 133.2 33.7 10.8 19.2 5 5 A I E +ab 94 137A 0 88,-3.3 90,-2.2 -2,-0.4 2,-0.2 -0.892 26.8 179.3 -98.1 122.2 31.4 13.9 19.1 6 6 A E E + b 0 138A 0 131,-3.0 133,-2.5 -2,-0.5 2,-0.2 -0.758 17.1 106.3-122.1 163.9 27.8 12.9 18.5 7 7 A G - 0 0 1 -2,-0.2 3,-0.1 131,-0.2 133,-0.1 -0.742 61.0 -56.1 145.0 169.4 24.4 14.6 18.2 8 8 A V S > S- 0 0 8 131,-0.3 3,-1.3 -2,-0.2 5,-0.3 0.020 70.8 -69.9 -70.9 174.6 21.6 15.5 15.8 9 9 A D T 3 S+ 0 0 23 1,-0.2 141,-0.2 2,-0.1 -1,-0.2 -0.508 121.9 16.4 -66.1 131.3 22.0 17.7 12.6 10 10 A G T 3 S+ 0 0 2 -2,-0.2 -1,-0.2 139,-0.1 139,-0.2 0.699 84.5 128.4 82.2 20.0 22.7 21.3 13.5 11 11 A A S < S- 0 0 1 -3,-1.3 -2,-0.1 -4,-0.1 -3,-0.1 0.709 82.6-104.6 -81.9 -20.7 23.6 20.5 17.1 12 12 A G S > S+ 0 0 14 -4,-0.2 4,-2.1 134,-0.1 5,-0.2 0.624 71.8 143.3 106.4 19.1 26.9 22.4 16.9 13 13 A K H > + 0 0 16 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.907 67.8 50.9 -59.7 -47.4 29.3 19.4 16.6 14 14 A R H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 111.8 49.0 -63.1 -38.0 31.9 20.8 14.2 15 15 A T H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 109.6 51.9 -64.3 -40.2 32.2 24.0 16.4 16 16 A L H X S+ 0 0 9 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.909 107.5 53.4 -64.6 -39.2 32.7 21.8 19.5 17 17 A V H X S+ 0 0 14 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.920 110.6 45.8 -57.2 -47.0 35.4 19.8 17.7 18 18 A E H X S+ 0 0 128 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 116.1 45.9 -65.5 -41.0 37.3 23.0 16.9 19 19 A K H X S+ 0 0 111 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 114.8 46.9 -66.3 -46.7 36.8 24.3 20.5 20 20 A L H X S+ 0 0 0 -4,-3.4 4,-2.7 2,-0.2 5,-0.2 0.935 110.9 50.8 -60.3 -46.5 37.8 21.0 22.0 21 21 A S H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.887 110.6 51.1 -60.4 -38.5 40.9 20.6 19.8 22 22 A G H X S+ 0 0 36 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.908 109.6 50.1 -61.1 -43.3 41.9 24.1 20.8 23 23 A A H X S+ 0 0 20 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.936 112.0 46.4 -64.4 -46.6 41.5 23.3 24.5 24 24 A F H ><>S+ 0 0 2 -4,-2.7 5,-2.5 2,-0.2 3,-0.7 0.923 112.8 49.8 -58.9 -44.5 43.6 20.1 24.2 25 25 A R H ><5S+ 0 0 131 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.881 106.3 56.0 -65.2 -36.1 46.3 21.9 22.2 26 26 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 106.9 51.2 -61.4 -27.7 46.4 24.7 24.8 27 27 A A T <<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.328 127.2-101.1 -92.9 4.2 47.1 21.9 27.4 28 28 A G T < 5S+ 0 0 62 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.575 76.4 134.7 93.3 10.5 50.0 20.6 25.3 29 29 A R < - 0 0 105 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.752 55.7-124.5 -94.1 139.9 48.4 17.6 23.6 30 30 A S - 0 0 45 -2,-0.4 60,-2.2 57,-0.0 2,-0.4 -0.633 34.0-162.8 -73.3 136.9 48.8 16.8 19.9 31 31 A V E -c 90 0A 6 -2,-0.3 2,-0.4 58,-0.2 60,-0.2 -0.981 15.7-173.7-126.5 130.8 45.3 16.5 18.3 32 32 A A E -c 91 0A 11 58,-2.3 60,-3.1 -2,-0.4 2,-0.3 -0.965 11.6-160.3-118.7 147.7 44.1 15.0 15.1 33 33 A T E +c 92 0A 72 -2,-0.4 2,-0.3 58,-0.2 60,-0.2 -0.934 11.4 179.2-126.5 148.0 40.5 15.3 13.8 34 34 A L E -c 93 0A 24 58,-1.8 60,-2.8 -2,-0.3 2,-0.4 -0.983 14.2-149.5-143.9 143.9 38.4 13.3 11.3 35 35 A A E -c 94 0A 49 -2,-0.3 60,-0.2 58,-0.2 61,-0.1 -0.967 20.5-117.6-122.8 128.2 34.8 13.8 10.2 36 36 A F S S+ 0 0 6 58,-2.3 2,-0.2 -2,-0.4 34,-0.0 -0.950 94.4 47.4-104.9 141.8 32.3 11.1 9.0 37 37 A P S S- 0 0 19 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 0.490 85.4-142.0 -76.4 155.7 30.9 10.8 6.6 38 38 A R >> - 0 0 26 -2,-0.2 3,-2.3 2,-0.1 4,-1.1 -0.452 20.9-162.5 -87.2 70.5 34.2 11.4 4.7 39 39 A Y T 34 S+ 0 0 121 -2,-1.9 4,-0.1 1,-0.3 -4,-0.1 -0.257 74.7 13.2 -53.4 129.1 32.8 13.4 1.8 40 40 A G T 34 S+ 0 0 61 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.087 116.9 73.4 94.3 -23.5 35.2 13.5 -1.1 41 41 A Q T <4 S+ 0 0 143 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.624 99.3 32.2-104.9 -16.9 37.4 10.7 0.3 42 42 A S X - 0 0 20 -4,-1.1 4,-2.0 1,-0.1 -2,-0.4 -1.000 61.8-139.6-142.9 148.2 35.2 7.7 -0.3 43 43 A V H > S+ 0 0 106 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.896 106.5 57.1 -64.6 -41.5 32.7 6.6 -2.9 44 44 A A H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 108.7 45.8 -56.1 -46.4 30.5 5.1 -0.2 45 45 A A H > S+ 0 0 0 2,-0.2 4,-2.0 -7,-0.2 -1,-0.2 0.895 114.9 46.9 -65.1 -42.3 30.3 8.5 1.6 46 46 A D H X S+ 0 0 49 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 112.0 48.8 -69.7 -43.4 29.6 10.4 -1.6 47 47 A I H X S+ 0 0 52 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.923 111.0 51.9 -61.3 -42.8 26.9 8.1 -2.8 48 48 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.925 111.3 46.7 -56.3 -47.2 25.2 8.2 0.6 49 49 A A H X S+ 0 0 19 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.931 113.2 48.5 -63.4 -46.2 25.2 12.0 0.6 50 50 A E H ><>S+ 0 0 70 -4,-2.6 5,-2.5 1,-0.2 3,-0.8 0.882 108.1 55.0 -61.0 -40.9 23.9 12.1 -3.0 51 51 A A H ><5S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.875 104.9 53.7 -58.7 -40.2 21.2 9.6 -2.1 52 52 A L H 3<5S+ 0 0 6 -4,-1.9 112,-2.7 1,-0.3 -1,-0.2 0.615 106.0 54.3 -69.8 -14.1 20.1 11.9 0.7 53 53 A H T <<5S- 0 0 95 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.099 133.0 -88.4-102.9 17.2 19.8 14.7 -1.8 54 54 A G T < 5S+ 0 0 60 -3,-1.5 -3,-0.2 1,-0.3 3,-0.2 0.475 87.4 120.4 101.8 2.9 17.5 12.7 -4.0 55 55 A E < + 0 0 109 -5,-2.5 5,-0.4 1,-0.2 -1,-0.3 -0.435 47.9 46.7 -93.0 177.1 19.8 10.7 -6.3 56 56 A H S > S- 0 0 81 -2,-0.1 3,-2.0 3,-0.1 -1,-0.2 0.863 95.6-106.7 63.5 45.2 20.4 7.0 -6.9 57 57 A G T 3 S- 0 0 77 1,-0.3 3,-0.4 -3,-0.2 4,-0.2 -0.096 90.4 -4.7 48.9-123.9 16.8 5.8 -7.2 58 58 A D T >> S+ 0 0 132 1,-0.2 3,-0.6 2,-0.1 4,-0.5 0.296 100.1 107.9 -88.9 16.5 15.5 3.9 -4.2 59 59 A L G X4 S+ 0 0 38 -3,-2.0 3,-1.6 1,-0.2 7,-0.3 0.933 76.4 48.9 -62.3 -50.6 18.7 3.8 -2.3 60 60 A A G 34 S+ 0 0 14 -3,-0.4 -1,-0.2 -5,-0.4 -2,-0.1 0.741 97.9 70.0 -67.6 -18.4 17.8 6.2 0.5 61 61 A S G <4 S+ 0 0 90 -3,-0.6 2,-0.6 -4,-0.2 -1,-0.3 0.691 85.1 80.1 -73.4 -16.6 14.5 4.5 1.2 62 62 A S S+ 0 0 18 -2,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.921 92.2 47.2 -61.5 -46.1 17.5 2.2 6.3 64 64 A Y H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.850 108.4 55.0 -72.5 -32.4 20.0 -0.7 6.2 65 65 A A H > S+ 0 0 32 2,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.941 110.0 46.1 -59.9 -47.9 21.5 0.4 2.8 66 66 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 -7,-0.3 5,-0.2 0.956 113.8 48.7 -63.4 -44.3 22.2 3.9 4.1 67 67 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.905 109.4 53.7 -58.0 -43.8 23.7 2.4 7.3 68 68 A T H X S+ 0 0 54 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.932 106.4 51.3 -60.8 -44.3 25.8 0.0 5.3 69 69 A L H X S+ 0 0 30 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.935 111.2 47.5 -59.3 -43.6 27.3 2.9 3.2 70 70 A F H X S+ 0 0 24 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.866 113.1 49.3 -66.0 -36.7 28.3 4.8 6.3 71 71 A A H X S+ 0 0 2 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.928 110.3 50.3 -65.0 -44.2 29.8 1.7 7.8 72 72 A L H X S+ 0 0 94 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.825 107.3 54.9 -62.7 -36.9 31.7 1.0 4.5 73 73 A D H < S+ 0 0 1 -4,-2.2 4,-0.4 -5,-0.2 3,-0.4 0.961 111.9 43.2 -56.4 -54.3 33.0 4.6 4.6 74 74 A R H >X S+ 0 0 7 -4,-2.1 3,-2.2 1,-0.2 4,-0.5 0.903 107.3 59.7 -60.7 -40.5 34.4 4.0 8.1 75 75 A A H >< S+ 0 0 30 -4,-2.9 3,-1.0 1,-0.3 4,-0.3 0.874 101.5 55.8 -57.4 -36.0 35.8 0.6 7.2 76 76 A G T 3< S+ 0 0 52 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.599 109.3 47.8 -66.1 -16.4 37.9 2.4 4.5 77 77 A A T <> S+ 0 0 0 -3,-2.2 4,-3.2 -4,-0.4 -1,-0.2 0.390 78.0 103.6-105.2 5.1 39.3 4.6 7.3 78 78 A V H S+ 0 0 155 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.872 113.7 53.1 -68.0 -35.1 44.0 2.0 9.2 80 80 A T H > S+ 0 0 72 2,-0.2 4,-2.6 -4,-0.2 -2,-0.2 0.954 110.2 46.8 -59.4 -49.6 43.8 5.8 9.2 81 81 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.957 113.7 48.3 -59.2 -48.3 42.1 5.9 12.6 82 82 A Q H X S+ 0 0 101 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.886 111.8 50.5 -61.6 -40.0 44.6 3.4 14.0 83 83 A G H X S+ 0 0 44 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.894 109.6 49.4 -60.3 -44.7 47.5 5.4 12.5 84 84 A L H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.870 108.1 54.2 -63.5 -41.6 46.2 8.7 14.0 85 85 A C H < S+ 0 0 47 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.806 110.5 47.1 -62.9 -31.4 45.9 7.0 17.4 86 86 A R H < S+ 0 0 91 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.853 119.8 37.8 -71.9 -39.4 49.5 5.9 17.3 87 87 A G H < S+ 0 0 58 -4,-1.8 2,-0.3 -5,-0.1 -2,-0.2 0.654 112.9 52.9 -88.7 -25.4 50.8 9.3 16.2 88 88 A Y < - 0 0 108 -4,-2.1 -57,-0.1 -5,-0.2 3,-0.1 -0.884 67.4-135.4-119.8 154.4 48.7 11.8 18.2 89 89 A D S S+ 0 0 95 -2,-0.3 2,-0.4 -59,-0.3 -58,-0.2 0.897 95.8 21.2 -68.0 -47.2 47.8 12.3 21.8 90 90 A V E - c 0 31A 4 -60,-2.2 -58,-2.3 -6,-0.1 2,-0.5 -0.995 63.8-163.9-127.5 128.2 44.1 12.9 21.1 91 91 A V E -ac 2 32A 0 -90,-3.0 -88,-3.0 -2,-0.4 2,-0.5 -0.985 13.3-164.9-112.0 123.7 42.0 11.8 18.1 92 92 A I E -ac 3 33A 0 -60,-3.1 -58,-1.8 -2,-0.5 2,-0.5 -0.926 0.8-160.2-114.7 124.1 38.7 13.6 17.8 93 93 A L E -ac 4 34A 0 -90,-3.1 -88,-3.3 -2,-0.5 2,-1.0 -0.842 15.5-145.9-106.4 131.7 35.9 12.4 15.5 94 94 A D E S-ac 5 35A 30 -60,-2.8 -58,-2.3 -2,-0.5 -88,-0.1 -0.805 85.6 -14.9 -93.0 98.6 33.0 14.5 14.2 95 95 A R S S+ 0 0 27 -90,-2.2 -59,-0.3 -2,-1.0 2,-0.2 0.429 77.3 171.4 73.1 144.7 30.4 11.7 14.2 96 96 A Y >> - 0 0 0 -3,-0.1 3,-1.4 -92,-0.1 4,-0.7 -0.699 54.5 -37.7-152.8-146.2 31.3 8.0 14.4 97 97 A V H >> S+ 0 0 0 1,-0.3 4,-1.4 -2,-0.2 3,-0.9 0.827 124.2 63.2 -62.2 -37.8 29.6 4.6 14.8 98 98 A A H 3> S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.791 92.8 64.2 -59.9 -29.9 26.9 5.8 17.2 99 99 A S H <> S+ 0 0 10 -3,-1.4 4,-2.4 2,-0.2 5,-0.3 0.907 102.1 50.7 -55.7 -43.2 25.5 8.2 14.6 100 100 A N H S+ 0 0 0 -4,-2.3 5,-3.1 -5,-0.3 4,-0.3 0.931 113.7 50.9 -58.2 -46.4 16.9 3.2 15.1 106 106 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.884 106.4 53.6 -60.1 -41.0 15.1 6.5 14.7 107 107 A R H 3<5S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.854 114.5 42.6 -63.4 -33.0 14.2 5.8 11.1 108 108 A L T 3<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.347 113.3-116.6 -91.0 0.2 12.7 2.5 12.1 109 109 A H T < 5S+ 0 0 134 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.2 0.861 71.3 136.9 61.5 38.4 10.9 3.9 15.2 110 110 A E < - 0 0 56 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.2 -0.595 48.5-127.2-104.8 166.4 13.1 1.6 17.4 111 111 A N > - 0 0 81 -2,-0.2 3,-2.0 -3,-0.1 6,-0.4 -0.501 39.5 -84.5-104.0-175.3 14.9 2.5 20.7 112 112 A A T 3 S+ 0 0 4 1,-0.3 66,-0.0 -2,-0.2 -7,-0.0 0.746 127.7 52.4 -64.1 -24.2 18.5 2.1 21.7 113 113 A A T 3 S+ 0 0 86 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.315 94.8 103.8 -92.8 13.9 17.9 -1.6 22.8 114 114 A G S <> S- 0 0 19 -3,-2.0 4,-1.6 1,-0.0 5,-0.1 0.006 87.6 -86.5 -88.1-168.3 16.4 -2.5 19.4 115 115 A K H > S+ 0 0 155 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.850 117.1 54.5 -70.7 -40.0 17.5 -4.4 16.4 116 116 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 109.0 47.4 -64.3 -46.3 19.2 -1.6 14.4 117 117 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.918 113.1 50.0 -63.7 -39.4 21.5 -0.6 17.2 118 118 A A H X S+ 0 0 43 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.899 109.5 51.6 -63.3 -39.7 22.4 -4.2 17.8 119 119 A W H X S+ 0 0 43 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.905 107.9 51.7 -62.2 -42.8 23.1 -4.6 14.1 120 120 A V H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.7 0.943 109.9 49.8 -60.4 -47.6 25.5 -1.6 14.1 121 121 A Q H X>S+ 0 0 48 -4,-2.3 5,-1.6 1,-0.2 4,-1.2 0.941 113.8 45.6 -50.6 -54.1 27.4 -3.1 17.0 122 122 A R H <>S+ 0 0 145 -4,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.902 120.4 37.8 -60.7 -46.3 27.7 -6.4 15.2 123 123 A I H <>S+ 0 0 30 -4,-3.0 5,-2.6 3,-0.2 6,-0.2 0.946 124.7 31.2 -72.1 -53.3 28.8 -5.0 11.9 124 124 A E H <5S+ 0 0 0 -4,-2.8 6,-2.3 -5,-0.3 -3,-0.2 0.928 128.2 29.2 -81.7 -45.3 31.0 -2.0 12.7 125 125 A F T < - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.381 35.1-131.4 -55.1 139.2 16.6 21.0 21.5 143 143 A A H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 107.5 55.5 -63.6 -36.7 15.4 19.4 18.2 144 144 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 109.0 45.9 -59.5 -45.9 13.7 22.7 17.4 145 145 A L H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.899 112.3 50.2 -66.2 -42.1 16.9 24.7 17.8 146 146 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.893 109.5 52.2 -61.4 -40.1 19.0 22.2 15.8 147 147 A G H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.864 106.9 52.6 -66.9 -37.0 16.5 22.3 13.0 148 148 A E H X S+ 0 0 128 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.881 108.2 51.7 -64.0 -38.7 16.6 26.1 12.9 149 149 A R H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.891 109.7 48.2 -65.4 -44.8 20.4 25.9 12.6 150 150 A S H X S+ 0 0 5 -4,-1.9 4,-1.8 -141,-0.2 -2,-0.2 0.919 113.2 48.3 -59.9 -45.6 20.2 23.5 9.7 151 151 A R H X S+ 0 0 149 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.943 111.0 50.9 -58.8 -44.8 17.7 25.7 8.0 152 152 A G H X S+ 0 0 22 -4,-2.7 4,-1.6 1,-0.2 5,-0.2 0.911 107.7 53.3 -60.0 -43.0 19.8 28.8 8.6 153 153 A R H X S+ 0 0 29 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.900 108.8 47.9 -60.8 -44.1 22.9 27.1 7.1 154 154 A A H < S+ 0 0 22 -4,-1.8 -1,-0.2 1,-0.2 6,-0.2 0.866 108.4 56.9 -65.7 -37.0 21.1 26.2 3.8 155 155 A Q H < S+ 0 0 171 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.8 33.5 -61.8 -40.4 19.8 29.8 3.5 156 156 A R H < S+ 0 0 168 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.532 119.5 53.9 -96.3 -10.7 23.2 31.4 3.6 157 157 A D >< - 0 0 68 -4,-1.2 3,-1.7 -5,-0.2 -1,-0.2 -0.916 57.5-165.3-129.9 120.6 25.1 28.6 1.8 158 158 A P G > S+ 0 0 128 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.752 94.1 54.3 -74.6 -23.8 24.1 27.2 -1.6 159 159 A G G 3 S+ 0 0 72 1,-0.2 -5,-0.1 2,-0.0 -2,-0.0 0.301 101.2 62.8 -90.9 9.2 26.3 24.2 -1.2 160 160 A R G < + 0 0 106 -3,-1.7 -1,-0.2 -6,-0.2 -3,-0.1 -0.141 66.1 157.1-124.6 39.2 24.7 23.3 2.1 161 161 A A < - 0 0 45 -3,-0.6 2,-0.1 1,-0.1 -10,-0.1 -0.313 53.0 -96.6 -53.3 147.6 21.1 22.6 1.1 162 162 A R - 0 0 47 -11,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.374 38.3-138.1 -71.1 147.2 19.4 20.4 3.7 163 163 A D > - 0 0 15 -3,-0.1 4,-2.1 -2,-0.1 -110,-0.2 -0.435 34.4 -86.2 -94.7 178.1 19.2 16.6 2.9 164 164 A N T 4 S+ 0 0 74 -112,-2.7 4,-0.4 1,-0.2 -111,-0.1 0.807 127.5 48.2 -54.4 -37.7 16.3 14.2 3.4 165 165 A Y T >4 S+ 0 0 23 2,-0.2 3,-1.2 1,-0.2 7,-0.3 0.925 110.4 50.9 -72.2 -43.1 17.2 13.5 7.1 166 166 A E T 34 S+ 0 0 24 1,-0.3 -2,-0.2 5,-0.1 -1,-0.2 0.857 107.7 53.6 -61.2 -35.5 17.6 17.2 8.0 167 167 A R T 3< S+ 0 0 128 -4,-2.1 2,-1.1 1,-0.1 -1,-0.3 0.612 90.7 85.1 -73.8 -13.6 14.2 18.1 6.4 168 168 A D <> - 0 0 60 -3,-1.2 4,-2.0 -4,-0.4 5,-0.1 -0.752 56.8-177.6 -97.0 94.3 12.5 15.4 8.6 169 169 A A H > S+ 0 0 41 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.883 81.2 50.4 -58.9 -42.1 11.7 17.1 11.9 170 170 A E H > S+ 0 0 115 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.868 108.1 53.5 -70.9 -35.2 10.2 14.0 13.6 171 171 A L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 108.3 50.8 -59.3 -44.4 13.2 11.9 12.6 172 172 A Q H X S+ 0 0 12 -4,-2.0 4,-1.9 -7,-0.3 -2,-0.2 0.880 111.6 47.4 -61.8 -40.0 15.5 14.5 14.2 173 173 A Q H X S+ 0 0 111 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 113.1 47.4 -66.6 -45.6 13.5 14.4 17.4 174 174 A R H X S+ 0 0 64 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.879 110.4 53.5 -62.0 -37.6 13.4 10.6 17.5 175 175 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.909 105.5 53.3 -67.2 -40.5 17.2 10.6 16.9 176 176 A G H X S+ 0 0 30 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.899 110.1 48.5 -56.9 -44.5 17.8 12.9 19.8 177 177 A A H X S+ 0 0 60 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.827 110.6 49.2 -67.9 -36.3 15.8 10.5 22.1 178 178 A V H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 109.1 53.9 -68.0 -41.7 17.7 7.4 20.9 179 179 A Y H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.917 105.6 53.1 -56.7 -45.8 21.0 9.2 21.5 180 180 A A H X S+ 0 0 54 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.882 111.0 47.1 -57.8 -40.8 20.0 10.0 25.0 181 181 A E H X S+ 0 0 79 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.904 109.0 53.3 -66.8 -42.7 19.3 6.3 25.6 182 182 A L H X>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.6 0.915 110.5 48.5 -58.6 -42.8 22.6 5.2 24.0 183 183 A A H ><5S+ 0 0 13 -4,-2.4 3,-1.1 1,-0.2 8,-0.4 0.936 110.8 48.9 -62.2 -47.6 24.4 7.6 26.4 184 184 A A H 3<5S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.1 47.7 -61.7 -34.7 22.6 6.3 29.5 185 185 A Q H 3<5S- 0 0 103 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.573 107.2-126.5 -77.1 -16.2 23.3 2.7 28.4 186 186 A G T X<5 - 0 0 32 -3,-1.1 3,-1.4 -4,-0.6 2,-0.2 0.893 36.2-167.0 63.8 40.2 27.0 3.5 27.7 187 187 A W T 3 < - 0 0 9 -5,-2.5 -1,-0.2 1,-0.3 -89,-0.1 -0.402 68.5 -3.4 -66.2 121.9 26.6 2.0 24.2 188 188 A G T 3 S- 0 0 7 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.357 137.0 -34.4 81.0 -7.1 30.1 1.4 22.6 189 189 A G S < S- 0 0 28 -3,-1.4 -55,-0.1 -57,-0.1 -54,-0.1 -0.867 98.9 -29.8 145.2-177.1 31.9 2.9 25.6 190 190 A R E -d 135 0A 159 -56,-0.5 -54,-1.9 -2,-0.3 2,-0.3 -0.388 57.2-155.2 -76.8 147.1 31.4 5.7 28.2 191 191 A W E -d 136 0A 25 -8,-0.4 2,-0.4 -56,-0.2 -54,-0.2 -0.839 12.4-158.3-113.3 152.3 29.5 8.8 27.3 192 192 A L E -d 137 0A 43 -56,-2.2 -54,-3.2 -2,-0.3 2,-0.6 -0.995 13.7-148.5-119.0 136.3 29.3 12.4 28.5 193 193 A V E +d 138 0A 89 -2,-0.4 2,-0.3 -56,-0.2 -54,-0.2 -0.933 25.1 175.7-102.9 116.5 26.1 14.4 27.8 194 194 A V E -d 139 0A 18 -56,-3.2 -54,-2.7 -2,-0.6 2,-0.2 -0.890 19.7-137.5-117.2 157.3 26.9 18.1 27.3 195 195 A G > - 0 0 27 -2,-0.3 3,-1.6 -56,-0.2 -54,-0.1 -0.473 38.1 -92.5 -99.8 179.6 24.8 21.1 26.4 196 196 A A T 3 S+ 0 0 65 -56,-0.4 -55,-0.1 1,-0.3 -1,-0.0 0.828 123.8 56.6 -64.1 -29.2 25.5 24.0 24.0 197 197 A D T 3 S+ 0 0 148 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.360 77.1 138.7 -85.8 8.0 26.9 26.1 26.9 198 198 A V < - 0 0 29 -3,-1.6 -4,-0.1 1,-0.1 -59,-0.0 -0.178 56.9-119.2 -56.8 141.6 29.6 23.5 27.8 199 199 A D > - 0 0 72 1,-0.1 4,-3.1 2,-0.0 5,-0.2 -0.747 14.3-152.3 -86.2 121.2 33.0 24.8 28.7 200 200 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.828 93.8 53.3 -64.7 -35.8 35.7 23.5 26.3 201 201 A G H > S+ 0 0 44 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.915 114.9 40.5 -64.8 -45.3 38.5 23.8 28.9 202 202 A R H > S+ 0 0 171 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.896 113.8 54.6 -68.7 -41.1 36.6 21.8 31.5 203 203 A L H X S+ 0 0 5 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.936 108.6 47.7 -59.2 -48.4 35.4 19.4 28.9 204 204 A A H X S+ 0 0 7 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.824 109.1 55.3 -61.7 -35.9 38.9 18.6 27.7 205 205 A A H < S+ 0 0 69 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.906 107.5 48.9 -61.6 -44.0 40.0 18.2 31.3 206 206 A T H < S+ 0 0 78 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.0 38.1 -60.8 -42.2 37.3 15.5 31.8 207 207 A L H < 0 0 1 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.830 360.0 360.0 -79.5 -34.7 38.4 13.8 28.6 208 208 A A < 0 0 68 -4,-3.3 -118,-0.0 -5,-0.2 -3,-0.0 0.114 360.0 360.0 -35.6 360.0 42.2 14.2 28.9