==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-APR-03 1P6X . COMPND 2 MOLECULE: THYMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUID HERPESVIRUS 4; . AUTHOR A.GARDBERG,L.SHUVALOVA,C.MONNERJAHN,M.KONRAD,A.LAVIE . 664 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.3 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 3 1 1 5 4 0 1 1 0 3 0 0 0 2 0 0 0 2 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 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 20 A S 0 0 90 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -48.4 40.2 10.6 76.6 2 21 A H - 0 0 140 1,-0.1 312,-2.2 311,-0.0 313,-0.1 -0.516 360.0-102.4 -66.0 135.8 42.8 8.3 74.9 3 22 A M E -A 313 0A 103 310,-0.2 2,-0.4 -2,-0.2 310,-0.3 -0.374 37.7-169.3 -74.3 141.1 44.3 10.2 71.8 4 23 A V E -A 312 0A 11 308,-2.5 308,-3.7 -2,-0.1 2,-0.5 -0.995 15.4-140.3-132.2 131.3 43.2 9.4 68.3 5 24 A T E -A 311 0A 29 -2,-0.4 109,-1.9 306,-0.2 108,-1.4 -0.784 25.4-170.6 -90.0 129.1 44.8 10.6 65.0 6 25 A I E -Ab 310 114A 1 304,-2.5 304,-2.3 -2,-0.5 2,-0.5 -0.964 19.3-163.7-125.8 132.8 42.3 11.4 62.3 7 26 A V E - b 0 115A 2 107,-2.0 109,-3.0 -2,-0.4 2,-0.5 -0.984 16.1-162.9-103.5 123.9 42.6 12.2 58.6 8 27 A R E -cb 158 116A 2 -2,-0.5 151,-0.6 149,-0.5 2,-0.4 -0.928 6.6-173.7-108.0 135.7 39.4 13.9 57.2 9 28 A I E -cb 159 117A 0 107,-2.9 109,-3.4 -2,-0.5 2,-0.7 -0.990 15.1-157.8-126.5 125.7 38.9 14.0 53.5 10 29 A Y E -cb 160 118A 4 149,-2.7 151,-3.1 -2,-0.4 2,-0.6 -0.950 15.7-155.7-101.7 113.4 36.1 15.8 51.6 11 30 A L E +cb 161 119A 1 107,-2.7 109,-2.7 -2,-0.7 2,-0.3 -0.836 27.3 166.7 -90.5 123.7 35.7 14.1 48.3 12 31 A D E +c 162 0A 0 149,-3.1 151,-3.6 -2,-0.6 2,-0.3 -0.849 9.4 100.0-136.2 167.5 34.2 16.6 45.9 13 32 A G - 0 0 0 -2,-0.3 151,-0.1 149,-0.2 3,-0.1 -0.895 65.9 -22.4 149.2-168.4 33.5 17.3 42.2 14 33 A V S > S- 0 0 3 149,-0.4 3,-1.3 -2,-0.3 5,-0.3 -0.345 71.3 -99.7 -72.6 143.5 30.9 17.2 39.5 15 34 A Y T 3 S+ 0 0 54 1,-0.2 -1,-0.1 2,-0.1 159,-0.1 -0.286 104.2 30.7 -60.5 143.4 27.9 14.9 39.9 16 35 A G T 3 S+ 0 0 25 -3,-0.1 -1,-0.2 157,-0.1 161,-0.1 0.386 82.0 108.0 95.2 -7.2 28.2 11.6 38.0 17 36 A I S < S- 0 0 4 -3,-1.3 -2,-0.1 156,-0.1 147,-0.1 0.678 96.5 -96.8 -78.6 -20.0 32.0 11.1 38.0 18 37 A G S > S+ 0 0 23 145,-0.1 4,-2.1 152,-0.0 5,-0.1 0.575 79.2 134.5 113.9 16.5 32.0 8.2 40.6 19 38 A K H > S+ 0 0 11 -5,-0.3 4,-3.0 2,-0.2 5,-0.2 0.933 72.6 47.8 -58.3 -52.3 32.7 10.1 43.9 20 39 A S H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 113.1 48.3 -62.4 -41.1 30.0 8.4 46.0 21 40 A T H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 112.1 49.9 -65.5 -43.7 31.0 4.9 44.8 22 41 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.955 111.0 49.4 -57.0 -50.8 34.7 5.6 45.5 23 42 A G H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.876 108.8 52.3 -57.3 -41.1 33.8 6.9 49.0 24 43 A R H X S+ 0 0 133 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.908 109.3 49.4 -64.5 -40.0 31.7 3.8 49.8 25 44 A V H < S+ 0 0 36 -4,-2.0 6,-0.5 1,-0.2 3,-0.4 0.928 107.5 55.6 -65.7 -41.8 34.6 1.5 48.7 26 45 A M H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.912 110.0 45.6 -53.8 -44.8 37.0 3.5 50.9 27 46 A A H < S+ 0 0 38 -4,-1.9 9,-0.4 -5,-0.2 -1,-0.2 0.754 94.1 97.3 -71.7 -25.7 34.7 2.9 53.9 28 47 A S S >< S- 0 0 56 -4,-1.4 3,-1.5 -3,-0.4 4,-0.2 -0.441 77.2-133.7 -65.4 137.4 34.3 -0.8 53.1 29 48 A A G > S+ 0 0 97 1,-0.3 3,-2.2 2,-0.2 -1,-0.1 0.793 101.5 73.3 -57.2 -30.5 36.6 -3.1 55.0 30 49 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.0 -4,-0.1 0.762 88.4 60.5 -59.3 -24.7 37.4 -4.9 51.7 31 50 A S G < S- 0 0 35 -3,-1.5 -1,-0.3 -6,-0.5 -2,-0.2 0.541 92.3-161.4 -82.1 -4.9 39.6 -1.9 50.7 32 51 A G < + 0 0 41 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.0 -0.274 46.8 96.3 64.6-143.9 41.9 -2.4 53.7 33 52 A G S S- 0 0 61 2,-0.0 -1,-0.1 78,-0.0 3,-0.0 -0.299 88.1 -0.5 60.8-139.0 44.0 0.6 54.7 34 53 A S S S- 0 0 7 -3,-0.1 2,-0.2 1,-0.1 80,-0.1 -0.578 82.5 -99.1 -83.9 144.4 42.7 2.8 57.5 35 54 A P - 0 0 94 0, 0.0 80,-2.4 0, 0.0 2,-0.4 -0.511 56.2-163.0 -57.3 129.4 39.3 2.2 59.3 36 55 A T E -d 115 0A 16 -9,-0.4 2,-0.4 78,-0.2 80,-0.2 -0.956 22.9-153.4-133.3 135.3 37.2 4.7 57.5 37 56 A L E -d 116 0A 24 78,-2.6 80,-2.8 -2,-0.4 2,-0.5 -0.898 14.4-155.3-106.2 140.2 33.8 6.4 58.0 38 57 A Y E -d 117 0A 10 -2,-0.4 80,-0.2 78,-0.2 290,-0.1 -0.970 7.1-162.8-120.8 130.7 31.8 7.6 55.1 39 58 A F E -d 118 0A 2 78,-2.3 80,-2.7 -2,-0.5 285,-0.1 -0.946 22.4-149.1-110.9 107.2 29.2 10.4 55.2 40 59 A P - 0 0 8 0, 0.0 79,-0.1 0, 0.0 292,-0.0 -0.107 32.8 -75.5 -70.6 168.0 27.0 10.2 52.1 41 60 A E - 0 0 34 1,-0.1 2,-2.5 77,-0.1 3,-0.3 -0.404 53.1-109.7 -52.6 140.1 25.2 13.0 50.3 42 61 A P > + 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.318 58.5 159.3 -75.7 58.3 22.2 14.1 52.4 43 62 A M H > + 0 0 60 -2,-2.5 4,-2.2 1,-0.3 5,-0.3 0.860 67.7 47.6 -56.5 -45.2 19.8 12.6 49.8 44 63 A A H >>S+ 0 0 2 287,-1.8 5,-3.0 -3,-0.3 4,-1.5 0.846 109.1 54.6 -67.0 -33.6 16.8 12.2 52.1 45 64 A Y H 45S+ 0 0 8 -3,-0.4 5,-0.3 1,-0.2 -1,-0.2 0.931 115.9 39.9 -64.7 -43.4 17.2 15.7 53.5 46 65 A W H <5S+ 0 0 14 -4,-2.2 8,-2.4 285,-0.1 9,-0.3 0.836 132.7 19.1 -66.2 -38.8 17.1 17.0 49.9 47 66 A R H <5S+ 0 0 100 -4,-2.2 -3,-0.2 6,-0.2 -2,-0.2 0.828 130.6 15.7-112.1 -41.9 14.4 14.7 48.6 48 67 A T T <5S+ 0 0 80 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.597 99.1 76.3-118.9 -19.0 12.1 13.0 51.2 49 68 A L S - 0 0 37 -2,-0.3 4,-3.0 1,-0.1 -6,-0.2 -0.875 12.8-161.9 -94.7 106.3 12.2 17.7 46.5 54 73 A V H > S+ 0 0 5 -8,-2.4 4,-2.4 -2,-0.8 5,-0.2 0.785 87.2 53.1 -64.9 -28.0 14.9 20.2 45.9 55 74 A I H > S+ 0 0 28 -9,-0.3 4,-1.8 2,-0.2 5,-0.2 0.967 115.6 39.4 -71.8 -49.5 16.6 18.2 43.1 56 75 A S H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.889 117.2 53.8 -59.3 -41.2 13.3 17.8 41.2 57 76 A G H X S+ 0 0 7 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.889 107.3 46.6 -65.9 -44.7 12.5 21.4 42.1 58 77 A I H X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.903 118.9 41.3 -68.6 -40.4 15.7 23.0 40.8 59 78 A Y H X S+ 0 0 77 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.909 116.0 50.8 -71.8 -38.5 15.6 21.1 37.5 60 79 A D H X S+ 0 0 78 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.785 101.7 62.1 -68.3 -28.8 11.8 21.6 37.2 61 80 A T H X S+ 0 0 2 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.923 102.9 49.6 -60.8 -45.4 12.2 25.4 37.8 62 81 A Q H X S+ 0 0 13 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.825 110.2 51.2 -64.4 -34.9 14.2 25.8 34.7 63 82 A N H X S+ 0 0 75 -4,-1.2 4,-1.8 2,-0.2 5,-0.2 0.896 107.8 51.2 -67.8 -44.2 11.6 23.8 32.6 64 83 A R H X>S+ 0 0 44 -4,-2.1 5,-2.0 1,-0.2 4,-1.5 0.780 112.8 49.0 -60.6 -29.3 8.8 26.0 33.9 65 84 A K H <5S+ 0 0 44 -4,-1.3 -2,-0.2 3,-0.2 -1,-0.2 0.939 108.9 48.9 -77.0 -51.5 10.9 29.0 32.8 66 85 A Q H <5S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.811 116.6 43.3 -60.1 -36.2 11.8 27.8 29.3 67 86 A Q H <5S- 0 0 155 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.907 114.9-114.9 -77.8 -44.2 8.1 27.0 28.5 68 87 A G T <5S+ 0 0 60 -4,-1.5 -3,-0.2 -5,-0.2 3,-0.1 0.701 82.4 114.3 116.6 29.3 6.7 30.1 30.0 69 88 A N S - 0 0 58 -2,-0.3 4,-2.8 -3,-0.1 5,-0.2 -0.243 22.8-120.0 -64.7 150.7 8.7 34.4 34.6 72 91 A V H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 113.8 50.7 -56.7 -45.8 12.5 34.7 34.2 73 92 A D H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 113.8 44.2 -58.3 -48.3 12.7 37.1 37.2 74 93 A D H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 112.0 53.2 -64.4 -41.2 10.7 34.7 39.4 75 94 A A H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.914 104.7 54.3 -61.9 -45.2 12.7 31.7 38.2 76 95 A A H X S+ 0 0 27 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.923 112.2 45.6 -55.0 -45.3 16.0 33.2 39.1 77 96 A L H X S+ 0 0 12 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.884 112.8 48.3 -64.9 -43.1 14.7 33.8 42.6 78 97 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.878 110.0 53.8 -68.3 -35.1 13.3 30.3 43.0 79 98 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.919 107.0 51.2 -63.1 -44.1 16.5 28.7 41.7 80 99 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 108.9 50.9 -62.5 -41.2 18.5 30.6 44.3 81 100 A H H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.907 109.7 49.5 -66.1 -38.5 16.2 29.4 47.0 82 101 A Y H X S+ 0 0 20 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.939 109.4 52.1 -62.4 -43.0 16.6 25.8 45.9 83 102 A Q H X S+ 0 0 2 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.882 107.5 54.0 -61.7 -35.0 20.3 26.2 45.8 84 103 A S H >X S+ 0 0 12 -4,-2.2 4,-0.9 1,-0.2 3,-0.8 0.910 104.7 53.2 -61.6 -45.1 20.1 27.5 49.4 85 104 A R H 3< S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.774 98.7 63.7 -66.4 -26.3 18.3 24.4 50.5 86 105 A F H 3< S+ 0 0 25 -4,-1.5 4,-0.5 1,-0.2 -1,-0.2 0.910 102.6 51.4 -59.5 -36.0 21.0 22.2 49.1 87 106 A T H XX S+ 0 0 4 -4,-0.9 4,-2.4 -3,-0.8 3,-0.7 0.766 88.2 83.5 -74.9 -27.4 23.4 23.7 51.6 88 107 A T H 3X S+ 0 0 1 -4,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.855 91.1 43.0 -48.7 -58.0 21.4 23.2 54.7 89 108 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.789 114.7 53.4 -65.8 -25.5 22.2 19.6 55.6 90 109 A Y H <> S+ 0 0 7 -3,-0.7 4,-2.5 -4,-0.5 -2,-0.2 0.865 109.1 48.0 -70.1 -41.7 25.9 20.3 54.8 91 110 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.893 113.6 48.0 -64.8 -40.4 25.9 23.2 57.2 92 111 A I H X S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.904 113.7 46.0 -64.0 -45.7 24.3 21.1 59.9 93 112 A L H X S+ 0 0 7 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.915 112.9 50.5 -65.4 -43.3 26.7 18.2 59.4 94 113 A H H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 110.0 49.7 -60.5 -43.8 29.7 20.6 59.4 95 114 A D H X S+ 0 0 44 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.907 114.6 45.9 -62.4 -42.0 28.5 22.3 62.6 96 115 A H H < S+ 0 0 40 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.934 119.2 37.5 -68.0 -46.7 28.1 18.9 64.3 97 116 A T H >X S+ 0 0 1 -4,-2.8 3,-2.3 1,-0.2 4,-0.8 0.785 99.5 72.5 -82.6 -25.2 31.4 17.3 63.2 98 117 A C H 3< S+ 0 0 42 -4,-2.4 4,-0.3 1,-0.3 3,-0.3 0.783 92.5 59.7 -64.8 -24.6 33.8 20.3 63.4 99 118 A T T 3< S+ 0 0 84 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.547 106.7 49.0 -72.0 -9.7 33.6 20.1 67.3 100 119 A L T <4 S+ 0 0 21 -3,-2.3 213,-0.3 1,-0.1 -2,-0.2 0.609 87.0 77.9-110.7 -14.2 35.0 16.5 67.1 101 120 A F S < S- 0 0 2 -4,-0.8 -95,-0.2 -3,-0.3 -2,-0.1 0.766 82.0-150.4 -70.1 -28.5 38.1 16.6 64.8 102 121 A G - 0 0 37 -4,-0.3 210,-0.2 208,-0.1 -1,-0.1 -0.090 12.1 -95.4 77.2-179.4 40.4 18.1 67.4 103 122 A G E S+E 311 0A 21 208,-0.7 208,-2.7 1,-0.1 0, 0.0 0.075 77.5 94.7-109.3-144.9 43.3 20.4 66.7 104 123 A N E - 0 0 107 206,-0.2 205,-0.1 1,-0.2 2,-0.1 0.895 58.7-167.3 54.9 44.0 47.1 20.0 66.3 105 124 A S E + 0 0 36 205,-0.1 2,-0.3 203,-0.1 205,-0.2 -0.437 20.3 149.7 -60.1 132.9 46.8 19.8 62.5 106 125 A L E -E 309 0A 101 203,-2.0 203,-2.7 -2,-0.1 2,-1.1 -0.972 56.6-110.4-157.0 155.1 50.0 18.7 60.9 107 126 A Q + 0 0 102 -2,-0.3 201,-0.2 201,-0.2 200,-0.0 -0.782 45.4 168.2 -86.5 94.5 51.2 16.8 57.8 108 127 A R - 0 0 68 -2,-1.1 -1,-0.2 199,-0.4 3,-0.1 0.701 31.0-145.8 -83.5 -24.1 52.5 13.7 59.8 109 128 A G + 0 0 38 198,-0.5 2,-0.1 195,-0.3 -1,-0.1 0.189 62.9 108.8 77.2 -17.9 53.0 11.4 56.9 110 129 A T S S- 0 0 92 1,-0.1 -1,-0.2 194,-0.1 -2,-0.1 -0.365 82.3 -89.6 -88.5 168.3 52.0 8.4 59.0 111 130 A Q - 0 0 100 -3,-0.1 -1,-0.1 -2,-0.1 -106,-0.1 -0.598 47.0-125.8 -75.6 134.5 48.8 6.3 58.7 112 131 A P - 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0 0 69 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.352 53.5 -99.3 -70.5 162.6 37.4 0.6 38.9 293 312 A P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.902 128.0 52.0 -50.3 -43.5 35.8 1.6 42.2 294 313 A R H > S+ 0 0 161 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.941 112.3 45.3 -58.9 -46.9 38.5 -0.5 44.0 295 314 A Q H > S+ 0 0 92 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 111.4 52.7 -62.3 -40.9 41.2 1.4 42.0 296 315 A C H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.938 108.1 50.3 -63.7 -46.0 39.6 4.8 42.7 297 316 A A H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.896 111.0 49.7 -56.9 -40.7 39.5 4.2 46.4 298 317 A A H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.880 107.3 54.4 -69.9 -36.4 43.2 3.2 46.3 299 318 A V H < S+ 0 0 65 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.949 114.2 41.1 -61.0 -49.1 44.1 6.3 44.3 300 319 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 4,-0.2 0.942 114.1 52.1 -64.1 -47.7 42.5 8.5 47.0 301 320 A E H >< S+ 0 0 23 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.838 98.5 65.5 -59.4 -33.2 43.9 6.4 49.9 302 321 A S T 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.619 91.6 66.5 -69.8 -7.8 47.4 6.7 48.5 303 322 A L T X> S+ 0 0 28 -3,-2.0 3,-2.2 -4,-0.3 4,-0.7 0.598 71.8 96.0 -80.1 -12.3 47.2 10.5 49.2 304 323 A L G X4 S+ 0 0 2 -3,-1.9 3,-0.9 1,-0.3 -195,-0.3 0.771 73.0 61.8 -56.5 -38.2 47.1 10.0 53.0 305 324 A P G 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -196,-0.1 0.692 109.2 43.9 -61.8 -17.9 50.9 10.5 53.6 306 325 A L G <4 S+ 0 0 108 -3,-2.2 -2,-0.2 -4,-0.1 2,-0.1 0.516 98.7 100.0-100.0 -9.0 50.5 14.1 52.2 307 326 A M S << S- 0 0 2 -3,-0.9 -198,-0.5 -4,-0.7 -199,-0.4 -0.371 76.2-109.6 -82.9 154.8 47.3 14.9 54.1 308 327 A S - 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m 0 620C 6 -151,-3.0 -149,-0.4 -2,-0.7 2,-0.3 -0.451 21.6-166.8 -75.0 142.0 14.9 46.8 72.6 497 183 B T E + m 0 621C 33 123,-2.8 125,-2.8 -2,-0.1 2,-0.3 -0.887 11.5 168.2-126.8 160.2 11.3 46.9 74.1 498 184 B L - 0 0 4 -2,-0.3 123,-0.0 123,-0.2 -148,-0.0 -0.880 40.7 -96.5-169.8 135.9 8.4 49.3 73.9 499 185 B N > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.245 40.7-114.2 -54.8 144.8 4.7 49.3 74.8 500 186 B V H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.851 111.8 54.1 -53.5 -39.9 2.4 48.4 71.9 501 187 B E H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 111.5 41.5 -66.4 -50.6 0.8 51.9 71.7 502 188 B E H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.872 113.2 57.2 -62.8 -35.4 4.0 53.9 71.4 503 189 B H H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.951 108.0 45.4 -59.7 -48.6 5.3 51.2 69.0 504 190 B I H X S+ 0 0 49 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.891 111.7 53.2 -63.3 -41.2 2.3 51.8 66.7 505 191 B R H < S+ 0 0 139 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.921 111.6 45.3 -56.2 -48.3 2.8 55.5 67.0 506 192 B R H >X S+ 0 0 42 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.869 105.3 59.3 -68.1 -38.3 6.4 55.3 65.9 507 193 B L H >< S+ 0 0 11 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.884 102.0 56.8 -56.6 -37.9 5.7 52.9 63.0 508 194 B R T 3< S+ 0 0 175 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.678 101.0 57.7 -63.4 -22.4 3.5 55.7 61.6 509 195 B T T <4 S+ 0 0 112 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.662 82.5 114.3 -83.3 -16.1 6.5 58.1 61.7 510 196 B R S << S- 0 0 93 -3,-1.0 3,-0.0 -4,-0.7 -3,-0.0 -0.233 74.7-105.4 -63.8 139.9 8.7 55.9 59.4 511 197 B A - 0 0 87 1,-0.1 2,-0.7 2,-0.1 -1,-0.1 -0.297 40.5-103.5 -57.1 144.0 9.7 57.0 55.9 512 198 B R + 0 0 109 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 -0.655 58.1 148.2 -77.2 114.0 7.8 55.3 53.1 513 199 B I S S- 0 0 27 -2,-0.7 -124,-0.2 2,-0.1 -1,-0.1 0.183 72.5 -94.4-132.0 13.7 10.1 52.7 51.5 514 200 B G S S+ 0 0 39 1,-0.2 -121,-0.2 -125,-0.1 -122,-0.2 0.728 72.9 155.8 78.4 24.7 7.7 50.1 50.4 515 201 B E - 0 0 33 -123,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.561 50.7-109.4 -85.1 145.2 8.0 48.0 53.6 516 202 B Q + 0 0 23 -128,-0.3 -1,-0.1 -2,-0.2 -124,-0.0 -0.553 41.2 172.4 -64.8 136.2 5.4 45.6 54.9 517 203 B I + 0 0 69 -2,-0.2 -1,-0.1 -125,-0.0 2,-0.1 0.134 16.3 141.9-143.2 21.8 4.0 47.2 58.1 518 204 B D > - 0 0 51 1,-0.1 4,-2.0 4,-0.0 3,-0.3 -0.352 52.7-127.2 -78.2 155.8 1.0 45.2 59.4 519 205 B I H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.710 106.0 60.8 -79.0 -25.5 0.3 44.6 63.1 520 206 B T H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 108.6 46.5 -68.5 -36.6 0.0 40.8 62.9 521 207 B L H > S+ 0 0 6 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.943 113.3 49.4 -62.8 -49.8 3.7 40.8 61.6 522 208 B I H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.924 110.3 50.2 -54.8 -48.4 4.7 43.2 64.5 523 209 B A H X S+ 0 0 3 -4,-2.8 4,-1.6 1,-0.2 44,-0.2 0.875 112.9 46.3 -59.9 -42.8 2.9 41.1 67.1 524 210 B T H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.912 111.8 50.0 -67.5 -45.5 4.7 38.0 65.8 525 211 B L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.911 110.1 52.0 -61.8 -39.3 8.2 39.7 65.7 526 212 B R H X S+ 0 0 20 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.868 111.4 46.7 -63.6 -39.4 7.7 41.0 69.3 527 213 B N H X S+ 0 0 0 -4,-1.6 4,-2.5 36,-0.2 -2,-0.2 0.932 111.8 50.6 -66.6 -44.3 6.9 37.5 70.4 528 214 B V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.869 108.9 51.0 -64.9 -39.1 9.9 36.1 68.6 529 215 B Y H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.837 109.6 50.6 -68.3 -30.4 12.2 38.7 70.1 530 216 B F H X S+ 0 0 32 -4,-1.5 4,-2.9 2,-0.2 42,-0.2 0.907 108.1 53.0 -68.0 -41.5 10.9 37.7 73.5 531 217 B M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 50,-0.7 0.904 109.5 50.1 -55.7 -41.9 11.5 34.1 72.6 532 218 B L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 3,-0.2 0.969 111.4 45.5 -63.5 -54.8 15.2 35.2 71.8 533 219 B V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.944 115.4 49.0 -50.5 -50.5 15.7 37.0 75.1 534 220 B N H X S+ 0 0 0 -4,-2.9 4,-2.5 45,-0.2 -1,-0.2 0.816 107.2 55.2 -60.7 -34.4 14.2 34.0 76.9 535 221 B T H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.925 108.8 47.4 -64.7 -46.3 16.4 31.6 75.0 536 222 B C H X S+ 0 0 8 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 114.1 46.7 -60.0 -42.7 19.4 33.5 76.2 537 223 B H H X S+ 0 0 26 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.888 111.7 52.9 -63.3 -41.8 18.1 33.5 79.8 538 224 B F H <>S+ 0 0 0 -4,-2.5 5,-1.5 -5,-0.2 -2,-0.2 0.943 112.0 43.8 -59.4 -50.6 17.3 29.8 79.5 539 225 B L H ><5S+ 0 0 27 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.910 112.2 51.5 -63.8 -44.9 20.8 28.9 78.3 540 226 B R H 3<5S+ 0 0 201 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.780 98.5 67.6 -65.2 -24.2 22.5 31.1 80.9 541 227 B S T 3<5S- 0 0 64 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.571 123.2-105.8 -69.4 -5.5 20.4 29.4 83.6 542 228 B G T < 5S+ 0 0 65 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.502 80.1 128.8 91.5 5.7 22.5 26.2 82.8 543 229 B R < - 0 0 65 -5,-1.5 -1,-0.3 4,-0.0 2,-0.3 -0.546 42.6-154.0 -89.9 159.0 19.6 24.5 80.8 544 230 B V > - 0 0 58 -2,-0.2 3,-2.1 1,-0.0 62,-0.1 -0.869 36.1 -97.4-129.2 162.1 19.8 23.0 77.3 545 231 B W T 3 S+ 0 0 1 -2,-0.3 61,-0.0 1,-0.3 -2,-0.0 0.726 121.1 59.2 -58.6 -26.9 17.0 22.4 74.8 546 232 B R T >> S+ 0 0 116 2,-0.1 3,-2.3 3,-0.1 2,-0.9 0.755 80.2 101.7 -69.0 -23.8 16.5 18.8 75.7 547 233 B D T <4 S- 0 0 73 -3,-2.1 30,-0.1 1,-0.3 -4,-0.0 -0.485 105.8 -1.0 -64.4 98.9 15.7 20.0 79.3 548 234 B G T 3> S+ 0 0 24 -2,-0.9 4,-1.1 28,-0.1 -1,-0.3 0.438 100.8 120.1 96.5 1.8 11.9 19.8 79.3 549 235 B W T <4 S+ 0 0 23 -3,-2.3 3,-0.3 2,-0.2 -2,-0.1 0.921 70.8 50.8 -64.3 -47.1 11.8 18.6 75.6 550 236 B G T < S+ 0 0 60 -4,-0.6 -1,-0.2 1,-0.2 -3,-0.1 0.887 114.4 43.6 -59.4 -41.9 10.0 15.2 76.3 551 237 B E T 4 S+ 0 0 158 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.702 90.8 108.5 -77.4 -22.3 7.3 16.9 78.4 552 238 B L S < S- 0 0 18 -4,-1.1 3,-0.1 -3,-0.3 -4,-0.0 -0.347 75.8-115.4 -62.5 129.9 6.8 19.7 75.9 553 239 B P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 33,-0.1 -0.367 39.1 -93.0 -58.6 144.3 3.6 19.6 73.8 554 240 B T - 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0 0 70 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.341 54.1 -94.3 -75.2 164.9 13.5 60.5 74.0 626 312 B P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 131.4 47.6 -46.9 -45.9 16.5 59.6 71.8 627 313 B R H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.921 112.9 47.8 -62.0 -46.1 18.8 61.1 74.5 628 314 B Q H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 111.0 51.7 -60.8 -42.5 16.9 59.1 77.2 629 315 B C H X S+ 0 0 3 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.918 109.0 48.8 -60.1 -49.6 17.1 55.9 75.2 630 316 B A H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.899 110.5 52.9 -58.8 -40.2 20.9 56.2 74.7 631 317 B A H X S+ 0 0 52 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.896 106.7 52.2 -61.7 -43.4 21.3 56.9 78.4 632 318 B V H < S+ 0 0 57 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.927 112.9 44.5 -57.4 -46.0 19.3 53.7 79.2 633 319 B V H >X S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 4,-0.6 0.929 111.8 53.1 -66.7 -40.6 21.6 51.6 76.9 634 320 B E H >< S+ 0 0 62 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.847 97.2 65.0 -65.9 -31.5 24.7 53.3 78.4 635 321 B S T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.729 98.5 58.0 -61.6 -17.7 23.7 52.5 81.9 636 322 B L T X4 S+ 0 0 22 -3,-1.6 3,-2.3 -4,-0.4 4,-0.4 0.736 80.1 87.6 -85.5 -24.9 24.1 48.8 80.8 637 323 B L G X< S+ 0 0 7 -3,-1.1 3,-2.1 -4,-0.6 -195,-0.2 0.839 82.0 56.8 -43.5 -47.9 27.8 49.1 79.8 638 324 B P G 3 S+ 0 0 59 0, 0.0 -196,-0.3 0, 0.0 -1,-0.3 0.701 108.4 50.7 -62.5 -16.9 29.2 48.4 83.3 639 325 B L G < S+ 0 0 90 -3,-2.3 -2,-0.2 -4,-0.1 2,-0.1 0.468 96.1 97.8 -90.6 -6.7 27.3 45.1 83.2 640 326 B M S < S- 0 0 2 -3,-2.1 -199,-0.5 -4,-0.4 -198,-0.5 -0.435 77.6-104.3 -93.2 160.0 28.6 44.0 79.8 641 327 B S - 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