==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAY-00 1E2I . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HERPES SIMPLEX VIRUS (TYPE 1 / STRAIN . AUTHOR J.VOGT,L.SCAPOZZA,G.E.SCHULZ . 613 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 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 . 2 0.3 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 . 43 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 3 0 0 4 3 1 2 0 1 1 2 2 0 0 0 0 0 2 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 4 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 . 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 46 A M 0 0 168 0, 0.0 281,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.7 43.0 57.8 26.7 2 47 A P - 0 0 44 0, 0.0 279,-1.8 0, 0.0 2,-0.3 0.012 360.0-111.1 -63.4 166.9 45.7 57.1 24.1 3 48 A T E -A 280 0A 29 277,-0.2 95,-1.3 92,-0.2 94,-0.8 -0.687 22.8-158.5-102.2 148.4 45.6 57.0 20.3 4 49 A L E -Ab 279 98A 1 275,-3.5 275,-2.8 -2,-0.3 2,-0.5 -0.973 6.0-158.8-127.9 142.7 46.1 54.0 18.0 5 50 A L E - b 0 99A 3 93,-2.1 95,-3.2 -2,-0.4 2,-0.5 -0.983 10.4-166.9-122.8 115.7 47.1 53.7 14.4 6 51 A R E - b 0 100A 3 -2,-0.5 137,-0.7 271,-0.5 2,-0.4 -0.886 5.8-177.5-105.0 129.4 46.1 50.5 12.6 7 52 A V E -cb 143 101A 3 93,-2.4 95,-3.6 -2,-0.5 2,-0.7 -0.966 9.4-161.8-130.5 116.3 47.6 49.8 9.2 8 53 A Y E -cb 144 102A 5 135,-3.7 137,-3.1 -2,-0.4 2,-0.8 -0.883 7.1-154.9-102.2 116.7 46.7 46.7 7.2 9 54 A I E +cb 145 103A 13 93,-3.1 95,-2.2 -2,-0.7 2,-0.1 -0.802 38.8 137.3 -93.0 113.3 49.2 45.8 4.5 10 55 A D + 0 0 0 135,-2.6 137,-0.1 -2,-0.8 7,-0.0 -0.439 0.6 112.6-134.5-155.9 47.3 43.9 1.9 11 56 A G S S- 0 0 0 135,-0.2 166,-0.1 -2,-0.1 135,-0.1 -0.417 81.1 -27.3 104.1 177.4 46.9 43.6 -1.9 12 57 A P S > S- 0 0 4 0, 0.0 3,-0.6 0, 0.0 5,-0.2 -0.317 73.3-112.8 -64.1 144.4 47.9 40.7 -4.0 13 58 A H T 3 S+ 0 0 15 1,-0.2 145,-0.1 2,-0.1 163,-0.0 -0.326 92.6 47.9 -74.5 165.1 50.7 38.6 -2.6 14 59 A G T 3 S+ 0 0 4 143,-0.1 -1,-0.2 147,-0.1 146,-0.1 0.518 78.2 101.1 88.7 4.7 54.1 38.4 -4.3 15 60 A M S < S- 0 0 4 -3,-0.6 -2,-0.1 142,-0.1 142,-0.1 0.728 107.3 -80.7 -90.2 -25.5 54.7 42.1 -4.7 16 61 A G S S+ 0 0 21 145,-0.1 -3,-0.1 141,-0.0 249,-0.0 0.414 83.0 135.9 132.9 19.7 57.0 42.6 -1.8 17 62 A K 0 0 24 1,-0.3 -4,-0.1 -5,-0.2 -8,-0.0 0.828 360.0 360.0 -63.7 -30.2 54.7 42.8 1.3 18 63 A T 0 0 107 8,-0.0 -1,-0.3 85,-0.0 85,-0.0 0.652 360.0 360.0 -49.4 360.0 57.0 40.4 3.3 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 76 A D 0 0 164 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.0 58.5 49.7 20.9 21 77 A D + 0 0 96 1,-0.1 78,-1.2 77,-0.1 2,-0.3 -0.000 360.0 57.5-109.7 25.2 55.7 52.1 19.8 22 78 A I E -d 99 0A 88 76,-0.2 2,-0.4 78,-0.0 78,-0.2 -0.933 64.6-170.8-155.8 126.5 55.0 49.9 16.7 23 79 A V E -d 100 0A 11 76,-2.3 78,-2.9 -2,-0.3 2,-0.6 -0.983 12.4-146.6-123.4 137.8 54.2 46.2 16.5 24 80 A Y E -d 101 0A 99 -2,-0.4 78,-0.2 76,-0.2 76,-0.1 -0.929 2.0-157.8-111.6 114.4 54.0 44.1 13.4 25 81 A V E -d 102 0A 5 76,-2.7 78,-2.3 -2,-0.6 270,-0.1 -0.788 27.4-152.9 -87.5 103.9 51.4 41.2 13.2 26 82 A P - 0 0 25 0, 0.0 77,-0.1 0, 0.0 275,-0.0 -0.154 27.5 -71.5 -79.1 173.5 53.0 38.9 10.6 27 83 A E - 0 0 19 1,-0.1 2,-2.5 75,-0.1 276,-0.7 -0.453 46.1-124.1 -63.9 127.8 51.4 36.4 8.2 28 84 A P >> + 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.231 52.7 151.7 -75.2 58.2 50.1 33.4 10.2 29 85 A M H 3> + 0 0 3 -2,-2.5 4,-2.8 1,-0.3 5,-0.3 0.919 69.2 54.8 -59.2 -41.3 52.2 30.8 8.2 30 86 A T H 3>>S+ 0 0 44 271,-2.3 5,-2.5 -3,-0.3 4,-2.0 0.844 106.1 52.7 -62.0 -31.2 52.4 28.4 11.1 31 87 A Y H <4>S+ 0 0 1 -3,-0.8 5,-2.3 270,-0.6 6,-0.9 0.955 113.6 44.5 -67.0 -44.3 48.6 28.4 11.4 32 88 A W H <5S+ 0 0 9 -4,-2.0 8,-2.8 269,-0.2 -2,-0.2 0.871 120.6 36.9 -66.0 -40.8 48.3 27.6 7.7 33 89 A R H <5S- 0 0 93 -4,-2.8 6,-2.6 6,-0.3 -1,-0.2 0.841 139.8 -8.6 -84.5 -31.8 50.9 24.9 7.5 34 90 A V T <5S+ 0 0 98 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.694 119.2 55.3-133.8 -49.5 50.3 23.2 10.9 35 91 A L T - 0 0 57 -6,-2.6 4,-2.1 -2,-0.7 -6,-0.3 0.913 68.6-179.5 47.0 59.6 49.8 22.5 4.6 40 96 A T H > S+ 0 0 3 -8,-2.8 4,-2.2 -3,-0.4 5,-0.1 0.856 77.3 53.5 -57.1 -40.1 46.8 24.5 3.6 41 97 A I H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.942 108.8 49.6 -64.8 -41.0 48.6 26.4 0.8 42 98 A A H > S+ 0 0 25 122,-0.4 4,-2.7 1,-0.2 5,-0.3 0.904 110.1 50.7 -60.9 -39.0 49.7 23.2 -0.9 43 99 A N H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.936 111.4 49.2 -66.9 -39.2 46.2 21.8 -0.7 44 100 A I H X S+ 0 0 9 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.978 115.7 41.3 -61.3 -57.3 44.8 25.0 -2.3 45 101 A Y H X S+ 0 0 20 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.880 114.6 50.9 -62.7 -37.2 47.3 25.0 -5.2 46 102 A T H X S+ 0 0 48 -4,-2.7 4,-3.4 -5,-0.3 5,-0.2 0.941 109.5 52.2 -63.6 -45.7 47.2 21.2 -5.8 47 103 A T H X S+ 0 0 9 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.924 110.4 46.0 -57.6 -44.8 43.4 21.4 -6.0 48 104 A Q H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.917 112.7 52.3 -67.2 -37.9 43.4 24.1 -8.6 49 105 A H H X S+ 0 0 72 -4,-2.1 4,-1.8 1,-0.2 6,-0.2 0.946 109.0 49.1 -61.3 -47.8 46.0 22.2 -10.5 50 106 A R H <>S+ 0 0 109 -4,-3.4 5,-2.6 1,-0.2 6,-0.9 0.854 112.1 48.4 -60.3 -35.7 43.9 19.0 -10.4 51 107 A L H ><5S+ 0 0 33 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.920 109.6 52.8 -68.5 -45.0 40.9 21.0 -11.7 52 108 A D H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.799 110.9 46.7 -60.3 -33.1 42.9 22.6 -14.4 53 109 A Q T 3<5S- 0 0 119 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.432 116.8-113.0 -88.8 -3.1 44.1 19.2 -15.6 54 110 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.635 80.9 126.3 80.0 17.8 40.6 17.7 -15.5 55 111 A E S - 0 0 56 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.393 27.7-114.8 -86.3 167.7 35.2 18.3 -11.0 58 114 A A H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.877 119.3 48.4 -62.0 -43.3 34.4 22.0 -10.5 59 115 A G H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 111.6 50.7 -64.6 -44.0 32.0 21.1 -7.7 60 116 A D H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.894 110.9 47.2 -61.1 -45.6 34.6 18.9 -6.1 61 117 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.881 107.5 58.4 -67.2 -34.6 37.3 21.6 -6.2 62 118 A A H X S+ 0 0 8 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.888 104.5 48.7 -64.2 -39.7 34.9 24.2 -4.8 63 119 A V H X S+ 0 0 40 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.943 114.7 47.4 -65.5 -42.8 34.2 22.2 -1.6 64 120 A V H X S+ 0 0 29 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.963 115.4 44.0 -61.6 -51.4 38.0 21.8 -1.2 65 121 A M H X S+ 0 0 0 -4,-3.2 4,-2.5 57,-0.3 -2,-0.2 0.896 111.6 53.1 -56.4 -50.4 38.7 25.5 -1.9 66 122 A T H X S+ 0 0 4 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.933 111.1 45.8 -53.9 -49.0 35.8 26.8 0.4 67 123 A S H X S+ 0 0 16 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.893 112.5 50.6 -62.1 -41.5 37.0 24.7 3.4 68 124 A A H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.911 104.8 57.0 -68.4 -32.8 40.6 25.8 2.9 69 125 A Q H X S+ 0 0 8 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.860 102.6 56.0 -67.1 -29.7 39.6 29.4 2.7 70 126 A I H X S+ 0 0 5 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.967 110.0 45.8 -62.7 -48.9 38.0 29.0 6.2 71 127 A T H < S+ 0 0 16 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.917 110.6 52.0 -59.4 -45.7 41.4 27.8 7.5 72 128 A M H < S+ 0 0 25 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.890 113.6 45.3 -56.2 -41.8 43.4 30.6 5.8 73 129 A G H >X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.2 3,-1.0 0.728 84.7 91.8 -79.7 -20.7 41.1 33.3 7.3 74 130 A M H 3X S+ 0 0 3 -4,-1.6 4,-2.9 1,-0.3 5,-0.4 0.874 83.8 52.3 -46.5 -51.0 40.8 32.1 10.9 75 131 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.883 111.7 46.4 -57.6 -36.6 43.7 34.1 12.4 76 132 A Y H <> S+ 0 0 17 -3,-1.0 4,-2.8 -4,-0.3 -2,-0.2 0.917 114.2 47.2 -71.6 -40.7 42.5 37.4 10.9 77 133 A A H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.894 113.8 46.0 -68.6 -41.0 38.9 36.9 12.0 78 134 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 5,-0.3 0.924 114.0 51.0 -70.6 -37.5 39.9 35.9 15.6 79 135 A T H X S+ 0 0 7 -4,-1.9 4,-2.0 -5,-0.4 -2,-0.2 0.918 110.8 47.3 -61.9 -47.5 42.3 38.8 15.7 80 136 A D H X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.885 111.1 52.5 -62.2 -42.5 39.6 41.3 14.5 81 137 A A H < S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.7 42.5 -64.2 -35.4 37.1 39.9 17.0 82 138 A V H < S+ 0 0 26 -4,-2.1 4,-0.2 -5,-0.1 -1,-0.2 0.872 118.8 45.1 -79.2 -33.0 39.3 40.3 20.1 83 139 A L H >< S+ 0 0 10 -4,-2.0 3,-2.0 -5,-0.3 4,-0.5 0.825 93.6 79.2 -77.8 -33.6 40.6 43.7 19.0 84 140 A A G >< S+ 0 0 26 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.868 87.0 56.3 -45.1 -53.4 37.3 45.2 18.0 85 141 A P G 3 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.738 103.6 56.5 -55.2 -25.2 36.1 46.0 21.6 86 142 A H G < S+ 0 0 42 -3,-2.0 196,-1.6 -4,-0.2 2,-0.5 0.577 85.6 98.0 -84.1 -9.5 39.3 48.1 22.2 87 143 A I E < -E 281 0A 18 -3,-2.0 194,-0.2 -4,-0.5 2,-0.1 -0.723 52.0-177.0 -88.1 122.6 38.8 50.4 19.2 88 144 A G E - 0 0 13 192,-2.8 194,-0.1 -2,-0.5 3,-0.1 -0.081 35.0 -60.5 -99.4-158.0 37.2 53.8 19.9 89 145 A G E S- 0 0 43 1,-0.2 191,-2.9 192,-0.2 -1,-0.3 -0.265 70.3 -68.3 -81.3 173.3 36.2 56.7 17.8 90 146 A E E +E 279 0A 119 189,-0.2 189,-0.3 1,-0.1 -1,-0.2 -0.228 39.2 178.9 -60.1 148.0 38.4 58.8 15.5 91 147 A A 0 0 46 187,-2.6 188,-0.2 1,-0.5 -1,-0.1 0.619 360.0 360.0-115.8 -43.6 41.0 61.0 17.1 92 148 A G 0 0 61 186,-1.2 186,-3.3 188,-0.0 -1,-0.5 -0.940 360.0 360.0 176.0 360.0 42.6 62.3 13.9 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 153 A P 0 0 156 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.2 50.4 64.3 17.1 95 154 A P - 0 0 114 0, 0.0 -92,-0.2 0, 0.0 2,-0.2 -0.445 360.0-105.2 -75.8 151.7 52.0 60.8 16.8 96 155 A P - 0 0 23 0, 0.0 -92,-0.2 0, 0.0 3,-0.1 -0.473 13.2-126.6 -78.5 153.1 50.0 57.8 18.0 97 156 A A S S+ 0 0 48 -94,-0.8 2,-0.3 1,-0.2 -93,-0.2 0.857 96.6 9.8 -63.0 -37.3 50.7 55.9 21.3 98 157 A L E -b 4 0A 3 -95,-1.3 -93,-2.1 2,-0.0 2,-0.5 -0.993 62.0-158.1-145.5 139.4 50.9 52.7 19.3 99 158 A T E -bd 5 22A 22 -78,-1.2 -76,-2.3 -2,-0.3 2,-0.6 -0.992 11.7-163.9-120.7 119.8 51.0 51.8 15.6 100 159 A L E -bd 6 23A 3 -95,-3.2 -93,-2.4 -2,-0.5 2,-0.6 -0.955 2.8-164.7-107.2 113.0 49.9 48.3 14.8 101 160 A I E -bd 7 24A 26 -78,-2.9 -76,-2.7 -2,-0.6 2,-0.4 -0.885 10.6-162.0 -99.3 120.3 51.0 47.1 11.4 102 161 A F E -bd 8 25A 10 -95,-3.6 -93,-3.1 -2,-0.6 2,-1.1 -0.841 23.5-130.9-106.1 150.0 49.2 44.0 10.2 103 162 A D E S-b 9 0A 10 -78,-2.3 -93,-0.1 -2,-0.4 -95,-0.1 -0.781 84.8 -19.3 -94.6 96.9 50.1 41.6 7.4 104 163 A R - 0 0 14 -95,-2.2 -95,-0.2 -2,-1.1 -94,-0.2 0.282 68.8-113.9 82.6 157.0 46.7 41.6 5.7 105 164 A H >> - 0 0 11 -97,-0.2 3,-2.5 -3,-0.1 4,-0.5 -0.849 37.2-100.6-112.5 157.8 43.1 42.5 6.7 106 165 A P H >> S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.772 116.3 71.3 -48.5 -34.8 40.2 40.1 7.0 107 166 A I H 3>>S+ 0 0 1 1,-0.2 5,-2.8 2,-0.2 4,-0.6 0.712 86.3 66.6 -60.7 -17.2 38.9 41.1 3.6 108 167 A A H <4>S+ 0 0 2 -3,-2.5 5,-2.7 3,-0.2 -1,-0.2 0.947 114.7 27.9 -64.1 -46.6 41.8 39.3 2.0 109 168 A A H <<5S+ 0 0 6 -3,-0.8 -2,-0.2 -4,-0.5 -36,-0.2 0.636 124.0 47.3 -90.2 -18.0 40.4 36.0 3.2 110 169 A L H <5S- 0 0 7 -4,-1.8 24,-0.2 -37,-0.1 -1,-0.2 0.276 134.8 -3.0-107.4 10.6 36.6 36.8 3.3 111 170 A L T X5S+ 0 0 0 -4,-0.6 4,-2.7 -5,-0.2 -3,-0.2 0.320 121.4 53.0-159.5 -57.0 36.4 38.4 -0.1 112 171 A C H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.910 111.3 48.5 -59.3 -48.1 37.5 33.9 -2.6 115 174 A A H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.873 111.2 51.8 -61.0 -37.3 36.5 36.2 -5.4 116 175 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.913 109.0 49.0 -67.6 -41.0 39.8 35.3 -7.2 117 176 A R H <>S+ 0 0 4 -4,-2.7 5,-2.4 2,-0.2 6,-0.5 0.875 106.9 56.2 -68.8 -30.6 39.0 31.6 -6.9 118 177 A Y H ><5S+ 0 0 54 -4,-2.1 3,-1.7 1,-0.3 5,-0.2 0.957 106.9 50.2 -60.8 -43.7 35.5 32.2 -8.2 119 178 A L H 3<5S+ 0 0 56 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.701 108.5 52.9 -66.4 -22.0 37.3 33.8 -11.3 120 179 A M T 3<5S- 0 0 24 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.197 117.5-115.3 -93.6 7.5 39.5 30.6 -11.5 121 180 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 2,-0.2 -59,-0.2 0.658 90.7 105.2 64.2 22.4 36.3 28.4 -11.5 122 181 A S S - 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0 0 64 -2,-0.3 4,-3.5 1,-0.1 5,-0.3 -0.460 45.1-108.1 -87.0 161.4 63.5 48.8 -3.4 262 333 A P H > S+ 0 0 108 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.857 122.2 53.4 -54.6 -38.2 62.8 47.7 0.1 263 334 A A H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.965 113.1 43.4 -59.8 -51.5 64.3 50.9 1.4 264 335 A G H > S+ 0 0 14 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.918 114.3 49.1 -58.6 -50.0 62.1 52.9 -0.9 265 336 A C H X S+ 0 0 14 -4,-3.5 4,-3.1 2,-0.2 5,-0.3 0.925 109.2 53.6 -57.7 -46.5 59.0 50.8 -0.1 266 337 A R H X S+ 0 0 134 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.919 115.6 39.2 -51.8 -50.5 59.7 51.2 3.6 267 338 A D H X S+ 0 0 70 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.871 113.3 53.6 -70.3 -41.9 59.8 54.9 3.3 268 339 A A H X S+ 0 0 25 -4,-3.7 4,-2.3 2,-0.2 -2,-0.2 0.912 110.9 49.3 -59.9 -42.5 56.9 55.2 0.8 269 340 A L H X S+ 0 0 36 -4,-3.1 4,-0.7 -5,-0.2 -2,-0.2 0.942 112.2 46.6 -60.0 -47.0 54.9 53.2 3.4 270 341 A L H < S+ 0 0 95 -4,-2.1 3,-0.4 -5,-0.3 4,-0.4 0.837 109.3 55.7 -65.5 -33.5 56.0 55.6 6.2 271 342 A Q H >< S+ 0 0 139 -4,-2.6 3,-1.4 1,-0.2 4,-0.2 0.924 102.4 55.9 -65.1 -39.0 55.2 58.5 3.9 272 343 A L H >< S+ 0 0 42 -4,-2.3 3,-1.2 1,-0.3 4,-0.3 0.693 88.9 79.6 -65.2 -19.1 51.6 57.2 3.5 273 344 A T G >< S+ 0 0 49 -4,-0.7 3,-1.4 -3,-0.4 -1,-0.3 0.798 74.9 73.7 -62.1 -27.2 51.2 57.2 7.2 274 345 A S G < S+ 0 0 110 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 0.787 101.1 40.9 -62.5 -29.1 50.5 60.9 7.3 275 346 A G G < S+ 0 0 51 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.405 90.4 111.7 -99.0 1.6 47.0 60.7 5.9 276 347 A M < - 0 0 10 -3,-1.4 2,-0.4 -4,-0.3 -269,-0.1 -0.354 69.9-114.5 -73.0 155.5 46.0 57.5 7.8 277 348 A V - 0 0 23 -271,-0.2 -271,-0.5 -2,-0.1 2,-0.3 -0.790 25.2-153.8-100.7 131.7 43.3 57.9 10.4 278 349 A Q - 0 0 34 -186,-3.3 -187,-2.6 -2,-0.4 -186,-1.2 -0.695 6.4-158.7-100.5 149.9 43.9 57.3 14.1 279 350 A T E -AE 4 90A 2 -275,-2.8 -275,-3.5 -189,-0.3 -189,-0.2 -0.820 20.1-116.4-121.2 169.5 41.5 56.3 16.7 280 351 A H E -A 3 0A 68 -191,-2.9 -192,-2.8 -2,-0.3 -277,-0.2 -0.599 32.8-125.5 -91.7 157.7 41.3 56.5 20.5 281 352 A V E - E 0 87A 6 -279,-1.8 -194,-0.2 -194,-0.2 -192,-0.2 -0.536 15.9-126.1 -95.2 174.0 41.3 53.2 22.3 282 353 A T S S+ 0 0 77 -196,-1.6 -195,-0.1 -2,-0.2 -196,-0.1 0.568 82.6 35.6-100.5 -7.1 38.4 52.5 24.7 283 354 A T S S- 0 0 56 -197,-0.3 3,-0.4 1,-0.1 4,-0.4 -0.893 74.7-120.2-136.3 168.0 40.4 51.7 27.9 284 355 A P S S+ 0 0 119 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.797 117.8 48.0 -76.3 -30.4 43.6 52.7 29.7 285 356 A G S > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.404 85.9 95.1 -89.8 2.8 44.8 49.1 29.5 286 357 A S H > S+ 0 0 0 -3,-0.4 4,-3.4 2,-0.2 5,-0.4 0.972 79.8 52.6 -62.1 -52.5 43.9 48.8 25.8 287 358 A I H > S+ 0 0 28 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.925 113.5 41.9 -45.8 -60.0 47.4 49.7 24.4 288 359 A P H > S+ 0 0 78 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.885 116.4 49.1 -58.2 -39.2 49.3 47.1 26.5 289 360 A T H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.969 112.4 47.2 -67.0 -46.2 46.6 44.5 25.9 290 361 A I H X S+ 0 0 5 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.931 111.7 52.8 -55.0 -45.0 46.7 45.1 22.1 291 362 A C H X S+ 0 0 16 -4,-2.8 4,-2.1 -5,-0.4 -1,-0.2 0.909 107.7 50.2 -56.3 -44.6 50.5 45.0 22.3 292 363 A D H X S+ 0 0 97 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.933 109.5 51.0 -60.5 -50.1 50.3 41.6 24.1 293 364 A L H X S+ 0 0 24 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.962 109.9 50.8 -52.7 -56.0 48.0 40.2 21.4 294 365 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.901 113.4 42.4 -51.9 -51.1 50.3 41.4 18.6 295 366 A R H X S+ 0 0 113 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.872 113.9 51.2 -68.0 -39.2 53.5 39.9 20.0 296 367 A T H X S+ 0 0 16 -4,-2.6 4,-2.3 -5,-0.2 5,-0.3 0.907 109.4 50.8 -67.4 -37.8 51.8 36.6 21.0 297 368 A F H X>S+ 0 0 2 -4,-2.8 4,-3.7 -5,-0.2 5,-0.8 0.978 111.6 48.5 -59.4 -52.7 50.3 36.2 17.5 298 369 A A H X5S+ 0 0 30 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.899 113.0 46.8 -52.3 -48.4 53.7 36.8 15.9 299 370 A R H <5S+ 0 0 201 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 121.3 35.5 -64.8 -43.7 55.5 34.3 18.2 300 371 A E H <5S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 133.9 19.1 -80.0 -40.1 53.0 31.5 17.9 301 372 A M H <5S+ 0 0 0 -4,-3.7 -271,-2.3 -5,-0.3 -270,-0.6 0.660 92.9 103.4-109.9 -18.3 51.9 31.9 14.3 302 373 A G << 0 0 15 -4,-1.4 -277,-0.0 -5,-0.8 -275,-0.0 -0.494 360.0 360.0 -70.1 135.9 54.5 33.9 12.5 303 374 A E 0 0 176 -276,-0.7 -1,-0.1 -2,-0.2 -2,-0.1 -0.079 360.0 360.0 -41.4 360.0 56.8 31.7 10.3 304 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 305 46 B M 0 0 180 0, 0.0 2,-0.2 0, 0.0 294,-0.0 0.000 360.0 360.0 360.0 76.2 10.7 56.0 20.7 306 47 B P - 0 0 45 0, 0.0 292,-0.9 0, 0.0 2,-0.3 -0.518 360.0-138.4 -83.4 150.5 9.2 52.8 19.2 307 48 B T E -H 597 0C 15 104,-0.2 106,-1.3 290,-0.2 107,-1.1 -0.764 9.1-153.4-115.7 162.7 10.3 49.3 20.4 308 49 B L E -Hi 596 414C 1 288,-2.3 288,-2.1 -2,-0.3 2,-0.5 -0.988 3.6-155.7-133.1 140.3 11.2 46.0 18.8 309 50 B L E -Hi 595 415C 10 105,-2.5 107,-2.9 -2,-0.4 2,-0.5 -0.965 11.8-170.4-116.4 121.8 11.0 42.5 20.1 310 51 B R E - i 0 416C 2 284,-0.5 149,-0.9 -2,-0.5 2,-0.4 -0.965 4.9-179.1-114.3 127.1 13.3 39.9 18.4 311 52 B V E -ji 459 417C 0 105,-2.5 107,-2.8 -2,-0.5 2,-0.6 -0.989 10.8-161.3-130.0 118.2 12.8 36.2 19.2 312 53 B Y E -ji 460 418C 5 147,-3.4 149,-3.3 -2,-0.4 2,-0.6 -0.929 8.1-153.7-102.3 117.5 15.0 33.5 17.7 313 54 B I E +ji 461 419C 1 105,-2.7 107,-2.1 -2,-0.6 2,-0.2 -0.785 36.6 144.4 -88.3 119.3 13.5 30.0 17.9 314 55 B D + 0 0 0 147,-3.1 149,-0.2 -2,-0.6 7,-0.0 -0.591 3.7 100.2-143.0-166.2 16.4 27.5 17.8 315 56 B G S S- 0 0 0 147,-0.2 175,-0.1 -2,-0.2 149,-0.1 -0.551 77.6 -14.0 109.6 179.5 17.6 24.2 19.2 316 57 B P S > S- 0 0 5 0, 0.0 3,-0.6 0, 0.0 5,-0.2 -0.169 72.8-107.5 -58.6 147.4 17.7 20.7 17.7 317 58 B H T 3 S+ 0 0 21 1,-0.2 157,-0.1 2,-0.1 172,-0.0 -0.313 96.1 41.4 -69.8 156.1 15.7 20.0 14.5 318 59 B G T 3 S+ 0 0 18 155,-0.1 -1,-0.2 156,-0.1 156,-0.1 0.605 78.7 105.6 84.4 10.7 12.6 17.8 14.8 319 60 B M S < S- 0 0 3 -3,-0.6 -2,-0.1 154,-0.1 145,-0.1 0.717 97.9 -94.6 -93.4 -24.9 11.1 19.2 18.0 320 61 B G S > S+ 0 0 7 143,-0.0 4,-2.2 153,-0.0 5,-0.2 0.500 76.6 139.4 118.8 18.0 8.2 21.2 16.5 321 62 B K H > S+ 0 0 14 -5,-0.2 4,-1.8 2,-0.2 5,-0.2 0.922 70.5 46.9 -57.1 -51.7 9.9 24.6 16.3 322 63 B T H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.948 114.1 47.9 -59.5 -47.0 8.5 25.7 12.9 323 64 B T H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 109.6 51.7 -58.8 -49.0 5.0 24.7 13.7 324 65 B T H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 112.0 46.9 -59.8 -42.8 4.9 26.4 17.1 325 66 B T H X S+ 0 0 1 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.893 110.0 51.2 -70.0 -34.9 6.1 29.7 15.6 326 67 B Q H X S+ 0 0 102 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.916 112.2 49.7 -64.3 -39.6 3.7 29.7 12.6 327 68 B L H < S+ 0 0 57 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.929 111.8 46.8 -63.9 -42.6 1.0 29.1 15.3 328 69 B L H >X S+ 0 0 10 -4,-2.3 3,-1.5 1,-0.2 4,-0.7 0.945 113.4 48.9 -65.3 -44.9 2.3 32.0 17.4 329 70 B V H >< S+ 0 0 30 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.903 102.4 63.3 -63.7 -35.7 2.4 34.2 14.3 330 71 B A T 3< S+ 0 0 83 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.527 98.9 55.9 -65.1 -11.0 -1.1 33.2 13.3 331 72 B L T <4 S+ 0 0 89 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.663 96.9 80.5 -89.0 -29.2 -2.5 34.8 16.5 332 73 B G S << S- 0 0 34 -3,-1.2 2,-0.4 -4,-0.7 5,-0.1 -0.261 93.9 -88.0 -81.4 168.4 -1.0 38.2 15.8 333 74 B S >> - 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