==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JAN-13 4IVQ . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 1; . AUTHOR L.PERNOT,I.NOVAKOVIC,Y.WESTERMAIER,R.PEROZZO,S.RAIC-MALIC,L. . 622 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.9 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 . 1 0.2 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 . 42 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 41.2 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 4 0 0 2 2 4 1 1 2 0 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 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 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 0 134 0, 0.0 2,-0.1 0, 0.0 294,-0.1 0.000 360.0 360.0 360.0 142.1 11.1 55.6 73.7 2 47 A P - 0 0 45 0, 0.0 292,-1.1 0, 0.0 2,-0.2 -0.451 360.0-123.8 -74.1 154.0 9.0 52.4 73.0 3 48 A T E -A 293 0A 20 102,-0.3 104,-1.6 290,-0.2 105,-1.2 -0.676 14.8-150.3-104.6 157.4 10.3 49.1 74.3 4 49 A L E -Ab 292 108A 1 288,-3.0 288,-2.3 -2,-0.2 2,-0.5 -0.952 1.6-155.1-123.2 143.6 11.1 45.8 72.5 5 50 A L E - b 0 109A 11 103,-2.5 105,-3.1 -2,-0.4 2,-0.5 -0.967 11.6-171.3-117.6 114.5 11.0 42.2 73.8 6 51 A R E - b 0 110A 3 -2,-0.5 147,-0.9 284,-0.5 2,-0.4 -0.916 4.1-178.1-106.2 128.2 13.2 39.7 72.1 7 52 A V E -cb 153 111A 0 103,-2.7 105,-2.9 -2,-0.5 2,-0.6 -0.978 10.3-160.8-128.4 120.5 12.8 36.1 73.0 8 53 A Y E -cb 154 112A 4 145,-3.2 147,-3.2 -2,-0.4 2,-0.6 -0.889 7.3-154.4-103.7 118.0 15.0 33.3 71.5 9 54 A I E +cb 155 113A 0 103,-2.8 105,-2.2 -2,-0.6 2,-0.2 -0.815 35.7 146.7 -92.3 120.5 13.6 29.8 71.7 10 55 A D + 0 0 0 145,-3.1 147,-0.4 -2,-0.6 103,-0.0 -0.635 3.8 99.1-142.5-169.5 16.4 27.4 71.6 11 56 A G S S- 0 0 0 145,-0.2 175,-0.1 -2,-0.2 4,-0.1 -0.556 76.3 -15.5 109.5 178.8 17.7 24.1 72.9 12 57 A P S > S- 0 0 5 0, 0.0 3,-0.5 0, 0.0 5,-0.2 -0.168 73.1-106.7 -58.6 146.9 17.8 20.6 71.4 13 58 A H T 3 S+ 0 0 24 1,-0.2 155,-0.1 2,-0.1 -3,-0.0 -0.294 95.8 41.7 -65.6 156.6 15.8 19.8 68.3 14 59 A G T 3 S+ 0 0 17 153,-0.1 -1,-0.2 154,-0.1 157,-0.1 0.648 77.9 105.9 84.6 17.6 12.7 17.6 68.6 15 60 A M S < S- 0 0 4 -3,-0.5 -2,-0.1 -4,-0.1 143,-0.1 0.645 97.6 -95.3 -99.8 -19.5 11.1 19.0 71.8 16 61 A G S > S+ 0 0 9 141,-0.0 4,-2.2 3,-0.0 5,-0.2 0.567 75.5 141.3 112.4 17.6 8.3 21.0 70.2 17 62 A K H > S+ 0 0 12 -5,-0.2 4,-2.1 1,-0.2 5,-0.2 0.912 71.7 47.2 -54.6 -49.8 10.0 24.4 70.1 18 63 A T H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 112.4 49.3 -66.1 -41.6 8.5 25.5 66.7 19 64 A T H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 110.7 49.9 -58.5 -48.5 5.0 24.4 67.6 20 65 A T H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.914 111.6 49.0 -62.2 -41.0 5.0 26.3 70.9 21 66 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.913 109.6 49.9 -66.0 -46.7 6.3 29.4 69.3 22 67 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.896 111.4 50.8 -58.6 -39.6 3.7 29.4 66.5 23 68 A L H < S+ 0 0 56 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.863 110.7 48.0 -68.0 -37.3 1.0 28.9 69.1 24 69 A L H >X S+ 0 0 10 -4,-2.0 3,-1.3 -5,-0.2 4,-0.7 0.919 111.9 49.1 -67.9 -43.7 2.2 31.8 71.2 25 70 A V H >< S+ 0 0 27 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.883 102.8 62.8 -64.6 -35.0 2.4 34.1 68.1 26 71 A A T 3< S+ 0 0 80 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.642 96.0 61.4 -65.2 -15.1 -1.1 33.1 67.2 27 72 A L T <4 S+ 0 0 86 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.827 94.9 72.7 -77.4 -36.0 -2.4 34.6 70.4 28 73 A G S << S- 0 0 34 -3,-0.8 -3,-0.0 -4,-0.7 3,-0.0 0.031 92.7 -92.4 -72.6-179.1 -1.2 38.2 69.6 29 74 A S - 0 0 74 1,-0.1 4,-0.2 0, 0.0 -1,-0.1 0.067 53.1 -91.1 -69.4-164.1 -2.6 40.7 67.2 30 75 A R S S+ 0 0 116 1,-0.1 3,-0.2 2,-0.1 -2,-0.1 0.940 118.0 23.8 -77.4 -45.6 -1.0 40.7 63.7 31 76 A D S S+ 0 0 97 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.041 100.6 76.9-119.4 27.0 1.7 43.2 64.4 32 77 A D S S+ 0 0 67 1,-0.3 77,-1.7 76,-0.1 2,-0.3 0.534 106.7 31.8-101.8 -12.7 2.4 43.3 68.2 33 78 A I E -d 109 0A 18 -3,-0.2 2,-0.4 75,-0.2 -1,-0.3 -0.998 68.4-171.6-142.1 137.5 4.4 40.1 67.9 34 79 A V E -d 110 0A 9 75,-2.7 77,-3.0 -2,-0.3 2,-0.5 -0.992 14.8-140.3-132.1 142.6 6.5 38.7 65.0 35 80 A Y E -d 111 0A 19 -2,-0.4 77,-0.2 75,-0.2 276,-0.2 -0.884 2.3-159.2-101.5 127.5 8.1 35.3 64.5 36 81 A V E -d 112 0A 8 75,-3.4 77,-3.2 -2,-0.5 272,-0.1 -0.912 34.1-159.6 -99.1 98.7 11.6 34.9 63.0 37 82 A P - 0 0 18 0, 0.0 76,-0.1 0, 0.0 277,-0.0 -0.050 27.8 -65.8 -81.3 178.0 11.3 31.3 62.0 38 83 A E - 0 0 41 1,-0.1 2,-1.5 74,-0.1 3,-0.4 -0.441 43.9-133.2 -59.9 126.8 13.7 28.5 61.2 39 84 A P >> + 0 0 0 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.161 51.4 149.4 -81.3 46.6 15.5 29.4 58.0 40 85 A M H 3> + 0 0 35 -2,-1.5 4,-2.5 1,-0.3 5,-0.3 0.775 68.2 56.8 -51.0 -32.3 14.9 25.9 56.6 41 86 A T H 3>>S+ 0 0 40 273,-2.3 4,-2.3 -3,-0.4 5,-1.8 0.898 105.2 49.2 -68.6 -42.7 14.8 27.4 53.0 42 87 A Y H <4>S+ 0 0 0 -3,-1.0 5,-3.3 272,-0.5 6,-0.9 0.929 115.7 46.5 -56.2 -44.1 18.2 28.9 53.4 43 88 A W H <5S+ 0 0 9 -4,-1.9 8,-2.0 271,-0.2 -2,-0.2 0.838 119.1 35.7 -72.0 -39.7 19.4 25.5 54.7 44 89 A R H <5S- 0 0 19 -4,-2.5 6,-2.3 6,-0.2 -1,-0.2 0.790 139.8 -4.1 -86.6 -29.2 17.8 23.2 52.1 45 90 A V T <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.708 121.1 49.2-130.0 -61.7 18.2 25.5 49.1 46 91 A L T + 0 0 89 -6,-2.3 4,-2.3 -2,-0.6 -6,-0.2 0.878 69.9 179.2 41.9 63.4 20.2 19.9 51.7 51 96 A T H > S+ 0 0 4 -8,-2.0 4,-2.5 -3,-0.3 5,-0.2 0.900 75.9 53.5 -62.4 -44.2 22.5 20.8 54.5 52 97 A I H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 110.7 48.4 -57.6 -44.7 20.7 18.8 57.2 53 98 A A H > S+ 0 0 25 120,-0.7 4,-2.4 1,-0.2 5,-0.2 0.926 110.4 51.2 -59.6 -47.2 21.0 15.7 55.0 54 99 A N H X S+ 0 0 72 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.886 111.5 48.5 -57.9 -40.6 24.7 16.4 54.4 55 100 A I H X S+ 0 0 11 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.949 114.3 42.7 -67.3 -49.9 25.3 16.7 58.1 56 101 A Y H X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.834 113.7 52.7 -69.9 -30.5 23.5 13.5 59.2 57 102 A T H X S+ 0 0 60 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.884 108.8 50.0 -69.7 -38.1 24.9 11.5 56.3 58 103 A T H X S+ 0 0 13 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.889 110.3 48.5 -70.3 -40.0 28.5 12.5 57.2 59 104 A Q H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.905 111.6 51.3 -63.0 -42.0 28.1 11.6 60.9 60 105 A H H X S+ 0 0 71 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.939 110.7 47.7 -60.3 -48.1 26.6 8.2 59.8 61 106 A R H <>S+ 0 0 14 -4,-2.4 5,-2.4 2,-0.2 6,-1.0 0.853 112.3 49.6 -62.3 -36.6 29.6 7.6 57.5 62 107 A L H ><5S+ 0 0 30 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.917 110.8 49.9 -67.6 -43.3 32.0 8.5 60.3 63 108 A D H 3<5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.0 47.5 -60.4 -41.5 30.2 6.2 62.7 64 109 A Q T 3<5S- 0 0 119 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.571 113.5-122.3 -76.5 -9.1 30.4 3.4 60.1 65 110 A G T < 5S+ 0 0 57 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.673 74.6 129.7 75.6 17.9 34.1 4.2 59.6 66 111 A E S - 0 0 57 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.299 30.7-110.2 -82.7 171.1 38.2 9.5 58.5 69 114 A A H > S+ 0 0 61 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 118.4 52.6 -66.4 -45.2 37.8 11.9 61.4 70 115 A G H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 108.7 49.5 -55.3 -46.3 39.6 14.7 59.4 71 116 A D H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 111.9 48.4 -65.8 -36.1 37.2 14.3 56.5 72 117 A A H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.926 109.4 53.5 -67.2 -44.8 34.2 14.4 58.7 73 118 A A H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.850 105.8 51.5 -60.6 -37.6 35.5 17.5 60.5 74 119 A V H X S+ 0 0 30 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 113.7 45.4 -68.6 -37.7 36.0 19.5 57.3 75 120 A V H X S+ 0 0 26 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.929 115.3 46.3 -67.7 -45.3 32.4 18.8 56.3 76 121 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 56,-0.3 -2,-0.2 0.915 112.0 50.2 -65.0 -45.2 30.9 19.5 59.7 77 122 A T H X S+ 0 0 7 -4,-2.5 4,-1.6 55,-0.2 -1,-0.2 0.935 114.0 44.7 -61.3 -46.8 32.8 22.7 60.1 78 123 A S H X S+ 0 0 10 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.906 113.0 50.9 -62.7 -44.5 31.8 24.0 56.7 79 124 A A H X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.894 106.6 54.4 -62.1 -40.2 28.2 23.0 57.2 80 125 A Q H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 103.6 56.5 -62.5 -37.4 28.0 24.7 60.5 81 126 A I H X S+ 0 0 5 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.922 111.9 42.6 -57.7 -44.1 29.1 28.0 58.9 82 127 A T H >< S+ 0 0 18 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.900 110.9 54.1 -68.1 -47.1 26.2 27.7 56.5 83 128 A M H 3< S+ 0 0 26 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.895 112.0 47.3 -53.9 -39.3 23.7 26.7 59.1 84 129 A G H >X S+ 0 0 8 -4,-2.2 4,-1.9 35,-0.2 3,-0.6 0.664 85.0 89.7 -81.2 -19.9 24.6 29.8 61.2 85 130 A M H S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.877 111.4 49.8 -62.8 -34.4 20.9 33.6 58.8 87 132 A Y H <> S+ 0 0 19 -3,-0.6 4,-2.2 -4,-0.3 -2,-0.2 0.908 112.2 48.6 -65.7 -44.0 21.1 33.9 62.6 88 133 A A H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.907 112.0 45.6 -65.4 -45.7 24.3 36.0 62.4 89 134 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.912 111.4 53.8 -65.9 -39.6 23.1 38.5 59.7 90 135 A T H X S+ 0 0 18 -4,-1.9 4,-1.9 -5,-0.3 5,-0.2 0.944 110.9 46.1 -56.2 -48.9 19.8 38.9 61.6 91 136 A D H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.908 111.7 52.3 -59.7 -43.6 21.7 39.8 64.7 92 137 A A H < S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 113.0 42.1 -65.9 -37.3 24.0 42.2 62.9 93 138 A V H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.777 116.5 49.2 -80.8 -25.0 21.2 44.2 61.2 94 139 A L H >X S+ 0 0 11 -4,-1.9 3,-2.5 -5,-0.3 4,-0.5 0.860 93.0 80.2 -75.9 -40.0 19.1 44.2 64.4 95 140 A A G >< S+ 0 0 33 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.789 86.1 52.9 -40.7 -50.9 22.1 45.4 66.6 96 141 A P G 34 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.701 106.8 57.3 -66.2 -13.7 22.0 49.1 65.8 97 142 A H G <4 S+ 0 0 39 -3,-2.5 198,-1.5 -4,-0.2 2,-0.5 0.610 86.4 92.7 -87.0 -14.2 18.3 49.2 66.7 98 143 A I E << -E 294 0A 14 -3,-1.5 196,-0.2 -4,-0.5 3,-0.1 -0.714 53.4-175.1 -92.3 125.3 18.7 47.9 70.3 99 144 A G E - 0 0 15 194,-3.4 196,-0.1 -2,-0.5 3,-0.1 -0.085 40.1 -50.7 -96.5-159.6 19.0 50.3 73.2 100 145 A G E S- 0 0 44 1,-0.1 193,-2.6 192,-0.1 -1,-0.3 -0.241 70.3 -79.3 -75.0 164.6 19.7 49.7 76.9 101 146 A E E E 292 0A 95 191,-0.2 191,-0.3 1,-0.1 -1,-0.1 -0.373 360.0 360.0 -66.8 141.5 17.7 47.4 79.1 102 147 A A 0 0 70 189,-3.0 189,-0.1 -98,-0.2 -1,-0.1 0.009 360.0 360.0-126.1 360.0 14.3 48.7 80.3 103 ! 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 0.0 104 153 A P 0 0 144 0, 0.0 -101,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.8 4.7 48.1 80.9 105 154 A P - 0 0 116 0, 0.0 -102,-0.3 0, 0.0 2,-0.1 -0.231 360.0-114.9 -61.5 136.9 3.9 46.2 77.7 106 155 A P - 0 0 38 0, 0.0 -102,-0.2 0, 0.0 3,-0.1 -0.437 11.6-133.7 -69.1 146.8 6.5 46.2 74.9 107 156 A A S S+ 0 0 49 -104,-1.6 2,-0.3 1,-0.2 -103,-0.2 0.787 92.4 17.3 -65.0 -29.2 5.6 48.0 71.7 108 157 A L E -b 4 0A 1 -105,-1.2 -103,-2.5 2,-0.0 2,-0.5 -0.998 63.0-156.9-148.2 137.3 6.9 44.9 69.8 109 158 A T E -bd 5 33A 24 -77,-1.7 -75,-2.7 -2,-0.3 2,-0.6 -0.984 10.9-165.5-116.2 123.2 7.7 41.3 70.7 110 159 A L E -bd 6 34A 4 -105,-3.1 -103,-2.7 -2,-0.5 2,-0.5 -0.932 4.2-167.9-107.7 114.6 10.2 39.5 68.4 111 160 A I E -bd 7 35A 1 -77,-3.0 -75,-3.4 -2,-0.6 2,-0.4 -0.921 7.9-160.4-107.2 131.8 10.3 35.7 68.8 112 161 A F E -bd 8 36A 9 -105,-2.9 -103,-2.8 -2,-0.5 2,-1.2 -0.872 24.3-132.5-113.1 138.6 13.1 33.9 67.2 113 162 A D E S-b 9 0A 5 -77,-3.2 -103,-0.1 -2,-0.4 -105,-0.1 -0.794 86.4 -22.5 -82.0 96.5 13.6 30.2 66.2 114 163 A R - 0 0 13 -105,-2.2 -105,-0.2 -2,-1.2 -104,-0.1 0.319 69.0-110.2 80.4 154.8 17.1 29.9 67.8 115 164 A H >> - 0 0 4 -107,-0.1 3,-2.3 -3,-0.1 4,-0.6 -0.776 38.2-100.2-108.3 159.3 19.9 32.3 68.8 116 165 A P H >> S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 3,-0.9 0.828 117.1 70.6 -49.7 -32.3 23.3 32.5 67.0 117 166 A I H 3>>S+ 0 0 1 1,-0.2 5,-2.8 2,-0.2 4,-1.1 0.723 85.1 67.8 -63.9 -18.1 24.8 30.4 69.8 118 167 A A H <4>S+ 0 0 2 -3,-2.3 5,-2.9 3,-0.2 -1,-0.2 0.958 114.3 28.0 -59.3 -46.2 23.0 27.3 68.5 119 168 A A H <<5S+ 0 0 5 -3,-0.9 -2,-0.2 -4,-0.6 -35,-0.2 0.695 126.8 44.2 -91.4 -20.7 25.1 27.4 65.4 120 169 A L H <5S+ 0 0 8 -4,-1.9 25,-0.2 -36,-0.1 -3,-0.2 0.372 134.9 0.9-105.4 2.7 28.3 29.0 66.8 121 170 A L T X5S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.2 -3,-0.2 0.386 122.5 48.5-148.7 -58.5 28.5 27.0 70.0 122 171 A C H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -2,-0.2 0.925 110.1 49.9 -57.7 -44.5 29.5 22.5 67.2 125 174 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.890 111.0 50.3 -62.4 -37.2 30.2 21.4 70.8 126 175 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.916 108.8 50.6 -67.0 -41.9 27.8 18.5 70.2 127 176 A R H <>S+ 0 0 5 -4,-2.6 5,-2.3 1,-0.2 6,-0.7 0.879 107.1 55.8 -64.1 -35.0 29.6 17.5 67.0 128 177 A Y H ><5S+ 0 0 47 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.934 107.0 48.1 -59.9 -46.5 32.9 17.7 68.9 129 178 A L H 3<5S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.3 55.2 -61.8 -32.7 31.5 15.2 71.5 130 179 A M T 3<5S- 0 0 26 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.423 118.1-115.0 -79.0 -3.0 30.4 13.0 68.5 131 180 A G T < 5S+ 0 0 44 -3,-1.6 -3,-0.2 -4,-0.2 -58,-0.2 0.496 90.2 104.9 85.0 4.9 33.9 13.0 67.2 132 181 A S S - 0 0 56 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.533 21.7-125.2 -80.2 151.9 37.9 19.4 66.5 135 184 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.818 111.7 61.2 -67.7 -26.8 37.8 21.4 69.7 136 185 A Q H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.911 105.0 46.9 -60.2 -45.0 40.0 24.0 67.9 137 186 A A H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 108.4 55.5 -65.0 -38.0 37.2 24.6 65.4 138 187 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.941 109.3 47.0 -60.0 -42.4 34.6 24.8 68.2 139 188 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.798 105.5 58.9 -73.7 -25.0 36.6 27.6 69.8 140 189 A A H X S+ 0 0 3 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.909 108.2 46.4 -65.0 -40.8 37.0 29.3 66.5 141 190 A F H >X S+ 0 0 0 -4,-2.0 3,-0.8 2,-0.2 4,-0.5 0.921 110.8 52.8 -63.0 -43.3 33.2 29.5 66.3 142 191 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.3 -2,-0.2 0.942 104.2 55.8 -56.9 -46.3 33.1 30.7 69.9 143 192 A A H 3< S+ 0 0 5 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.757 107.6 50.9 -56.4 -26.7 35.5 33.5 69.0 144 193 A L H << S+ 0 0 17 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.467 75.3 124.9 -94.1 -5.0 33.1 34.6 66.3 145 194 A I << - 0 0 1 -3,-1.8 3,-0.1 -4,-0.5 -3,-0.0 -0.384 68.0-115.2 -56.4 126.5 30.0 34.7 68.5 146 195 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.230 40.5 -79.4 -64.8 155.4 28.6 38.3 68.1 147 196 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 113,-0.1 -0.258 55.3-105.5 -54.6 138.7 28.5 40.7 71.1 148 197 A T - 0 0 26 -3,-0.1 3,-0.1 111,-0.1 4,-0.1 -0.588 34.5-137.2 -77.7 112.7 25.5 39.9 73.2 149 198 A L > - 0 0 21 -2,-0.6 3,-0.7 1,-0.1 -50,-0.1 -0.305 29.7 -93.5 -63.9 148.8 22.9 42.5 72.8 150 199 A P T 3 S+ 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.259 110.0 29.5 -55.9 151.8 21.0 43.8 75.8 151 200 A G T 3 S+ 0 0 1 1,-0.2 2,-1.3 112,-0.2 -145,-0.4 0.825 74.0 164.8 63.5 33.2 17.8 42.0 76.6 152 201 A T < - 0 0 1 -3,-0.7 113,-2.7 111,-0.3 2,-0.7 -0.697 13.2-175.6 -82.2 95.2 18.9 38.7 75.2 153 202 A N E -cf 7 265A 0 -2,-1.3 -145,-3.2 -147,-0.9 2,-0.5 -0.832 2.1-170.2 -94.2 118.3 16.3 36.4 76.6 154 203 A I E -cf 8 266A 2 111,-2.8 113,-2.7 -2,-0.7 2,-0.6 -0.931 8.6-157.6-114.4 126.9 17.0 32.7 75.7 155 204 A V E -cf 9 267A 0 -147,-3.2 -145,-3.1 -2,-0.5 2,-0.3 -0.904 12.0-169.2-102.4 118.7 14.4 30.0 76.4 156 205 A L E - 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0 0 8 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.2 -0.315 21.2-159.7 -60.1 132.1 27.8 55.3 47.7 522 254 B S > - 0 0 51 1,-0.1 4,-2.1 -2,-0.1 3,-0.2 -0.946 5.6-159.9-115.3 110.7 24.7 53.2 48.3 523 255 B W H > S+ 0 0 15 -2,-0.6 4,-1.0 1,-0.2 -1,-0.1 0.850 92.5 54.1 -59.2 -36.4 25.0 49.7 47.0 524 256 B R H 4 S+ 0 0 116 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.910 110.9 46.3 -63.9 -41.3 21.2 49.2 46.9 525 257 B E H 4 S+ 0 0 137 -3,-0.2 3,-0.3 1,-0.2 -2,-0.2 0.857 120.2 38.8 -66.4 -36.3 20.8 52.4 44.8 526 258 B D H >< S+ 0 0 12 -4,-2.1 3,-1.8 1,-0.2 4,-0.4 0.464 85.1 100.7 -96.0 -2.8 23.6 51.5 42.4 527 259 B W G >< S+ 0 0 42 -4,-1.0 3,-1.6 -3,-0.4 4,-0.2 0.837 76.3 59.8 -56.1 -38.5 22.9 47.7 42.2 528 260 B G G >> S+ 0 0 54 -4,-0.3 3,-1.5 -3,-0.3 4,-0.7 0.742 91.3 70.3 -61.4 -24.3 21.2 48.1 38.8 529 261 B Q G <4 S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.687 84.9 67.6 -68.7 -18.0 24.3 49.5 37.3 530 262 B L G <4 S+ 0 0 23 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.604 112.7 32.0 -75.5 -10.2 26.0 46.1 37.6 531 263 B S T <4 0 0 86 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.426 360.0 360.0-124.4 -5.8 23.6 44.9 34.9 532 264 B G < 0 0 104 -4,-0.7 -3,-0.2 0, 0.0 -2,-0.0 0.442 360.0 360.0-124.2 360.0 23.0 48.1 32.8 533 ! 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 0.0 534 280 B P 0 0 154 0, 0.0 -14,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.4 32.4 61.5 42.9 535 281 B R - 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0 0 32 -279,-0.1 -279,-0.5 -2,-0.1 2,-0.2 -0.744 26.8-157.8 -98.3 127.3 43.2 57.9 64.2 603 349 B Q - 0 0 40 -2,-0.5 -184,-2.5 -281,-0.1 2,-0.3 -0.634 5.8-161.5 -98.6 157.5 43.8 57.4 67.9 604 350 B T E -HL 321 418C 1 -283,-2.5 -283,-3.3 -186,-0.3 -186,-0.2 -0.880 20.1-115.0-129.0 164.4 41.4 56.3 70.5 605 351 B H E -H 320 0C 73 -188,-2.7 -189,-2.9 -2,-0.3 -285,-0.2 -0.538 32.9-123.3 -82.8 163.0 41.2 56.5 74.3 606 352 B V E - L 0 415C 4 -287,-1.7 -191,-0.2 -191,-0.2 -189,-0.2 -0.608 15.6-124.5 -98.3 172.7 41.1 53.2 76.2 607 353 B T S S+ 0 0 64 -193,-1.7 -192,-0.1 -2,-0.2 -193,-0.1 0.713 83.1 30.5 -95.4 -23.5 38.2 52.4 78.5 608 354 B T S > S- 0 0 58 -194,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.908 76.4-115.3-132.3 160.3 40.0 51.6 81.8 609 355 B P T 3 S+ 0 0 104 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.890 119.1 46.0 -58.1 -39.6 43.2 52.7 83.6 610 356 B G T 3> S+ 0 0 32 1,-0.2 4,-1.8 2,-0.1 5,-0.2 0.371 84.8 96.0 -87.6 4.5 44.6 49.2 83.3 611 357 B S H <> S+ 0 0 0 -3,-1.1 4,-2.7 1,-0.2 5,-0.2 0.923 79.7 56.2 -59.4 -45.0 43.6 48.8 79.7 612 358 B I H > S+ 0 0 28 -3,-0.5 4,-2.3 -4,-0.4 -1,-0.2 0.944 110.6 39.4 -57.0 -55.3 47.1 49.8 78.5 613 359 B P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.865 115.4 54.5 -67.6 -29.5 49.2 47.2 80.4 614 360 B T H X S+ 0 0 69 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.904 108.3 49.2 -62.8 -43.2 46.5 44.5 79.7 615 361 B I H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.923 110.1 51.3 -61.1 -46.7 46.8 45.3 76.0 616 362 B C H X S+ 0 0 37 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.925 109.7 49.2 -53.1 -51.6 50.6 45.0 76.2 617 363 B D H X S+ 0 0 104 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.923 111.7 49.2 -56.1 -49.4 50.3 41.6 77.9 618 364 B L H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.957 113.4 46.9 -52.2 -55.1 47.9 40.3 75.3 619 365 B A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.886 115.1 43.3 -62.3 -43.8 50.1 41.5 72.4 620 366 B R H X S+ 0 0 36 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.872 113.6 52.0 -71.1 -37.2 53.4 40.1 73.7 621 367 B T H X S+ 0 0 15 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.906 109.6 49.9 -63.8 -42.2 51.7 36.8 74.8 622 368 B F H X>S+ 0 0 3 -4,-2.6 4,-3.1 -5,-0.2 5,-0.7 0.960 112.2 48.8 -55.1 -54.1 50.3 36.4 71.3 623 369 B A H X5S+ 0 0 30 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.899 113.4 45.6 -54.1 -48.0 53.7 37.1 69.8 624 370 B R H <5S+ 0 0 194 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 120.8 36.8 -67.3 -39.3 55.5 34.6 72.0 625 371 B E H <5S+ 0 0 35 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.872 132.7 19.4 -85.9 -37.6 53.0 31.8 71.6 626 372 B M H <5S+ 0 0 0 -4,-3.1 -268,-2.4 -5,-0.3 -267,-0.5 0.627 95.2 100.6-116.0 -16.3 52.0 32.1 68.0 627 373 B G << 0 0 10 -4,-1.5 -274,-0.0 -5,-0.7 -4,-0.0 -0.357 360.0 360.0 -66.4 151.9 54.7 34.1 66.2 628 374 B E 0 0 168 -273,-0.5 -1,-0.1 -2,-0.0 -2,-0.1 -0.212 360.0 360.0 -56.8 360.0 57.2 32.2 64.2