==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAY-08 3D5X . COMPND 2 MOLECULE: POLO-LIKE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,R.V.FUCINI,M.J.ROMANOWSKI . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 4 0 0 0 1 2 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 1 0 2 1 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 1 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 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 24 A K 0 0 149 0, 0.0 2,-0.4 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 121.0 87.9 63.2 25.8 2 25 A E - 0 0 174 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.666 360.0-122.1 -82.1 132.3 90.4 60.9 24.2 3 26 A I - 0 0 20 -2,-0.4 4,-0.1 1,-0.1 -1,-0.0 -0.626 34.8-111.4 -74.8 125.7 90.0 57.2 24.9 4 27 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 14,-0.1 -0.151 10.3-133.8 -55.6 149.9 93.2 55.8 26.5 5 28 A D S S+ 0 0 113 1,-0.2 13,-2.9 12,-0.1 2,-0.5 0.832 97.8 42.2 -72.8 -36.3 95.4 53.3 24.5 6 29 A V E S-A 17 0A 56 11,-0.2 2,-0.6 2,-0.0 11,-0.2 -0.970 77.4-153.6-116.3 121.6 95.7 51.0 27.5 7 30 A L E -A 16 0A 2 9,-3.8 9,-2.8 -2,-0.5 2,-0.3 -0.852 19.6-178.2 -98.2 116.7 92.6 50.4 29.7 8 31 A V E -A 15 0A 74 -2,-0.6 7,-0.2 7,-0.2 -2,-0.0 -0.841 11.9-156.8-117.3 152.3 93.4 49.6 33.3 9 32 A D > - 0 0 6 5,-0.8 4,-0.9 -2,-0.3 5,-0.1 -0.977 19.0-140.5-130.3 142.7 91.3 48.7 36.3 10 33 A P T 4 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.827 97.5 52.2 -66.4 -33.8 91.9 48.9 40.1 11 34 A R T 4 S+ 0 0 91 1,-0.1 72,-0.1 3,-0.0 -2,-0.0 0.999 124.6 15.8 -69.0 -76.5 90.2 45.6 40.9 12 35 A T T 4 S- 0 0 79 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.768 88.7-144.5 -70.2 -27.0 91.7 42.9 38.7 13 36 A M < + 0 0 126 -4,-0.9 2,-0.3 1,-0.2 -1,-0.1 0.830 46.4 147.6 56.5 38.5 94.7 45.1 37.8 14 37 A K - 0 0 90 -5,-0.1 -5,-0.8 23,-0.0 2,-0.6 -0.733 45.9-128.7 -96.8 150.6 94.7 43.7 34.3 15 38 A R E -A 8 0A 116 -2,-0.3 21,-3.3 -7,-0.2 2,-0.6 -0.897 19.0-165.2-105.5 121.3 95.8 45.7 31.3 16 39 A Y E -AB 7 35A 13 -9,-2.8 -9,-3.8 -2,-0.6 2,-0.6 -0.926 12.7-143.0-109.1 119.5 93.6 45.9 28.2 17 40 A M E -AB 6 34A 88 17,-3.4 17,-1.9 -2,-0.6 2,-0.4 -0.711 17.4-132.4 -83.3 118.1 95.0 47.2 24.9 18 41 A R E + B 0 33A 47 -13,-2.9 15,-0.2 -2,-0.6 3,-0.1 -0.567 44.7 151.6 -71.8 123.5 92.4 49.3 23.0 19 42 A G E + 0 0 25 13,-1.2 14,-0.1 -2,-0.4 -1,-0.1 0.019 34.6 17.2-125.3-133.3 92.4 48.1 19.4 20 43 A R E S- 0 0 129 12,-0.2 12,-3.1 11,-0.1 -1,-0.3 -0.195 71.0-115.6 -57.0 129.8 90.3 47.7 16.3 21 44 A F E - B 0 31A 95 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.517 32.2-179.0 -66.2 126.0 87.1 49.8 16.2 22 45 A L E - 0 0 42 8,-2.4 2,-0.2 1,-0.4 9,-0.2 0.685 47.9 -82.2-102.5 -25.2 84.1 47.4 16.1 23 46 A G E - B 0 30A 18 7,-1.2 7,-2.4 2,-0.0 -1,-0.4 -0.800 37.4-109.7 142.4 175.8 81.2 49.8 16.0 24 47 A K E - B 0 29A 155 -2,-0.2 5,-0.2 5,-0.2 2,-0.2 -0.852 16.2-175.1-136.9 170.7 78.9 52.1 18.1 25 48 A G E > S- B 0 28A 48 3,-1.4 3,-0.7 -2,-0.3 -2,-0.0 -0.683 75.7 -0.6-173.0 115.0 75.4 52.4 19.4 26 49 A G T 3 S- 0 0 82 1,-0.2 3,-0.1 -2,-0.2 0, 0.0 0.906 128.1 -58.9 67.0 43.5 73.7 55.2 21.3 27 50 A F T 3 S+ 0 0 77 1,-0.2 2,-0.7 20,-0.1 -1,-0.2 0.504 110.9 124.9 62.2 7.3 77.0 57.2 21.4 28 51 A A E < -B 25 0A 10 -3,-0.7 -3,-1.4 19,-0.1 2,-0.2 -0.876 51.4-150.6 -97.3 113.7 78.6 54.3 23.2 29 52 A K E -BC 24 46A 28 17,-1.2 17,-3.0 -2,-0.7 2,-0.4 -0.566 5.7-153.7 -87.5 147.9 81.7 53.2 21.2 30 53 A C E -BC 23 45A 30 -7,-2.4 -8,-2.4 15,-0.2 -7,-1.2 -0.974 11.4-175.1-126.8 138.0 83.0 49.6 21.2 31 54 A Y E -BC 21 44A 40 13,-2.6 13,-3.3 -2,-0.4 2,-0.8 -0.945 34.2-109.5-133.0 148.7 86.6 48.4 20.6 32 55 A E E - C 0 43A 37 -12,-3.1 -13,-1.2 -2,-0.3 2,-0.4 -0.682 45.3-166.8 -73.2 108.9 88.4 45.1 20.2 33 56 A I E -BC 18 42A 1 9,-2.9 9,-3.2 -2,-0.8 2,-0.5 -0.845 10.2-156.5-108.4 140.2 90.5 44.9 23.4 34 57 A T E -BC 17 41A 32 -17,-1.9 -17,-3.4 -2,-0.4 2,-0.6 -0.952 22.8-122.7-117.6 128.1 93.4 42.5 24.2 35 58 A D E > -B 16 0A 2 5,-2.0 4,-2.4 -2,-0.5 -19,-0.2 -0.581 22.5-145.8 -64.8 113.3 94.5 41.5 27.6 36 59 A M T 4 S+ 0 0 50 -21,-3.3 -1,-0.2 -2,-0.6 -20,-0.1 0.528 92.6 38.5 -65.9 -5.6 98.2 42.6 27.5 37 60 A D T 4 S+ 0 0 89 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.813 127.2 26.1-108.1 -55.1 99.2 39.6 29.7 38 61 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 0, 0.0 -3,-0.0 0.663 94.8-133.8 -87.0 -19.8 97.1 36.6 28.7 39 62 A K < + 0 0 134 -4,-2.4 2,-0.4 1,-0.2 -3,-0.1 0.743 51.0 147.2 71.7 28.0 96.6 37.8 25.1 40 63 A E - 0 0 105 -5,-0.2 -5,-2.0 1,-0.0 2,-0.3 -0.832 43.1-127.6-101.6 139.9 92.8 37.1 24.9 41 64 A V E +C 34 0A 25 -2,-0.4 54,-0.4 -7,-0.2 2,-0.3 -0.570 30.7 169.9 -89.0 135.5 90.5 39.3 22.9 42 65 A F E -C 33 0A 34 -9,-3.2 -9,-2.9 -2,-0.3 2,-0.8 -0.900 40.1-105.7-135.3 165.4 87.3 40.9 24.3 43 66 A A E -CD 32 93A 11 50,-2.9 50,-2.0 -2,-0.3 2,-0.8 -0.860 35.0-153.9 -95.5 106.9 84.8 43.4 23.2 44 67 A G E -CD 31 92A 3 -13,-3.3 -13,-2.6 -2,-0.8 2,-0.7 -0.738 2.2-157.2 -87.3 107.9 85.5 46.6 25.2 45 68 A K E -CD 30 91A 61 46,-3.3 46,-2.7 -2,-0.8 2,-0.6 -0.769 10.7-167.1 -85.4 116.2 82.4 48.8 25.5 46 69 A V E +CD 29 90A 2 -17,-3.0 -17,-1.2 -2,-0.7 44,-0.2 -0.928 9.1 177.2-110.1 118.2 83.5 52.3 26.2 47 70 A V E - D 0 89A 17 42,-2.1 42,-2.7 -2,-0.6 -19,-0.1 -0.984 26.2-125.6-124.8 123.5 80.8 54.8 27.4 48 71 A P E >> - D 0 88A 28 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.344 8.4-134.4 -70.2 144.7 81.7 58.4 28.4 49 72 A K T 34 S+ 0 0 59 38,-3.2 39,-0.1 1,-0.3 3,-0.1 0.681 104.0 71.2 -68.2 -20.0 80.8 59.9 31.8 50 73 A S T 34 S+ 0 0 68 37,-0.4 3,-0.4 1,-0.2 -1,-0.3 0.676 97.9 50.2 -68.6 -18.9 79.6 63.0 29.9 51 74 A M T <4 S+ 0 0 42 -3,-1.3 2,-0.4 1,-0.2 3,-0.3 0.713 109.6 51.9 -86.8 -26.6 76.7 60.8 28.7 52 75 A L < + 0 0 27 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.486 68.6 122.5-108.0 59.4 76.0 59.7 32.3 53 76 A L + 0 0 132 -2,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.893 58.8 72.2 -81.4 -45.1 75.8 63.1 34.0 54 77 A K S >> S- 0 0 55 -3,-0.3 4,-1.4 1,-0.1 3,-0.9 -0.538 80.8-134.1 -75.7 134.1 72.3 62.7 35.4 55 78 A P H 3> S+ 0 0 98 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.680 107.2 63.8 -58.7 -21.2 71.8 60.2 38.3 56 79 A H H 34 S+ 0 0 144 2,-0.2 -4,-0.0 1,-0.2 -2,-0.0 0.872 105.0 43.4 -67.0 -40.9 68.8 58.9 36.4 57 80 A Q H <4 S+ 0 0 87 -3,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.754 109.5 58.2 -76.4 -26.9 71.1 57.7 33.6 58 81 A K H < 0 0 108 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.820 360.0 360.0 -69.8 -34.4 73.7 56.3 36.1 59 82 A E < 0 0 140 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.673 360.0 360.0 -61.4 360.0 71.1 54.0 37.7 60 ! 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 61 84 A M > 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.4 73.3 51.4 33.3 62 85 A S H > + 0 0 72 -4,-1.0 4,-1.7 2,-0.2 -3,-0.1 0.836 360.0 44.8 -65.0 -35.1 73.8 50.1 36.9 63 86 A T H > S+ 0 0 70 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.882 112.3 52.6 -72.7 -41.6 70.8 47.8 36.6 64 87 A E H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 112.6 44.3 -57.9 -46.5 71.9 46.7 33.1 65 88 A I H X S+ 0 0 14 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.888 112.9 52.0 -66.7 -41.1 75.4 45.8 34.5 66 89 A A H X S+ 0 0 53 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.906 112.3 44.7 -62.0 -45.6 73.9 44.0 37.5 67 90 A I H X S+ 0 0 8 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.917 115.6 46.7 -65.4 -45.4 71.6 41.8 35.4 68 91 A H H >< S+ 0 0 9 -4,-2.1 3,-0.9 1,-0.2 11,-0.3 0.831 104.8 61.7 -68.0 -33.9 74.3 41.0 32.9 69 92 A K H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 101.7 53.2 -58.9 -36.4 76.8 40.2 35.6 70 93 A S H 3< S+ 0 0 66 -4,-1.1 -1,-0.2 -3,-0.4 2,-0.2 0.693 92.9 97.4 -71.8 -21.5 74.5 37.4 36.9 71 94 A L << + 0 0 12 -3,-0.9 8,-0.5 -4,-0.5 2,-0.2 -0.484 36.5 161.6 -84.5 137.9 74.3 35.7 33.5 72 95 A D + 0 0 136 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.780 23.9 128.0-152.6 106.3 76.4 32.8 32.2 73 96 A N > - 0 0 32 3,-0.4 3,-2.4 -2,-0.2 53,-0.0 -0.954 61.8-121.0-162.4 135.8 75.1 30.9 29.2 74 97 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 52,-0.1 0.581 115.9 47.7 -58.4 -10.6 76.5 29.8 25.8 75 98 A H T 3 S+ 0 0 25 50,-0.1 80,-2.5 79,-0.1 2,-0.4 0.198 100.7 75.3-115.8 12.7 73.7 31.8 24.1 76 99 A V B < S-f 155 0B 2 -3,-2.4 -3,-0.4 78,-0.3 80,-0.2 -0.979 96.5 -98.0-122.1 138.0 74.1 35.0 26.1 77 100 A V - 0 0 10 78,-3.0 2,-0.2 -2,-0.4 -6,-0.1 -0.360 48.3-113.4 -55.7 120.4 77.0 37.4 25.5 78 101 A G - 0 0 13 -2,-0.1 16,-2.3 -4,-0.1 2,-0.5 -0.397 22.1-146.1 -62.5 125.5 79.5 36.6 28.2 79 102 A F E +E 93 0A 30 -8,-0.5 14,-0.2 -11,-0.3 3,-0.1 -0.855 21.3 174.5 -91.3 124.5 80.0 39.4 30.8 80 103 A H E - 0 0 98 12,-2.5 13,-0.2 -2,-0.5 -1,-0.1 0.114 53.5 -65.0-122.0 20.2 83.7 39.4 31.9 81 104 A G E - 0 0 28 11,-0.4 11,-3.1 2,-0.0 -1,-0.4 -0.183 40.9-131.4 117.1 155.1 83.8 42.5 34.2 82 105 A F E -E 91 0A 103 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.940 16.1-175.3-137.0 160.3 83.4 46.3 34.3 83 106 A F E -E 90 0A 14 7,-2.4 7,-3.1 -2,-0.3 2,-0.1 -0.968 17.6-131.6-159.0 143.0 85.3 49.2 35.7 84 107 A E E -E 89 0A 127 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.342 23.9-177.9 -84.9 170.5 85.0 53.0 36.0 85 108 A D - 0 0 48 3,-0.8 -36,-0.0 -2,-0.1 -76,-0.0 -0.939 47.1 -80.4-159.3 169.6 87.7 55.6 35.2 86 109 A D S S+ 0 0 140 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.836 125.9 2.8 -43.9 -41.3 88.3 59.4 35.3 87 110 A D S S+ 0 0 62 1,-0.1 -38,-3.2 -38,-0.0 -37,-0.4 0.590 125.2 47.9-126.4 -22.0 86.3 59.9 32.1 88 111 A F E -D 48 0A 8 -40,-0.2 -3,-0.8 -39,-0.1 2,-0.5 -0.881 57.4-138.3-130.9 157.0 84.8 56.6 31.0 89 112 A V E -DE 47 84A 5 -42,-2.7 -42,-2.1 -2,-0.3 2,-0.5 -0.979 28.0-156.1-110.3 122.4 83.0 53.4 32.1 90 113 A Y E -DE 46 83A 8 -7,-3.1 -7,-2.4 -2,-0.5 2,-0.5 -0.877 9.9-170.1-108.0 124.1 84.4 50.3 30.6 91 114 A V E -DE 45 82A 11 -46,-2.7 -46,-3.3 -2,-0.5 2,-0.6 -0.955 12.0-149.8-112.4 123.5 82.5 47.0 30.1 92 115 A V E +D 44 0A 3 -11,-3.1 -12,-2.5 -2,-0.5 -11,-0.4 -0.828 26.9 170.7 -94.9 121.5 84.3 43.9 29.1 93 116 A L E -DE 43 79A 28 -50,-2.0 -50,-2.9 -2,-0.6 -14,-0.2 -0.846 41.5 -84.8-128.6 161.7 82.2 41.5 27.0 94 117 A E - 0 0 51 -16,-2.3 2,-0.4 -2,-0.3 -52,-0.1 -0.424 54.9-115.0 -59.7 136.5 82.6 38.3 24.9 95 118 A I - 0 0 18 -54,-0.4 2,-0.6 -2,-0.1 -1,-0.1 -0.672 27.3-170.7 -88.4 129.0 83.6 39.2 21.4 96 119 A C > - 0 0 28 -2,-0.4 3,-0.7 52,-0.1 52,-0.2 -0.883 4.6-179.9-117.5 98.2 81.3 38.6 18.4 97 120 A R T 3 S+ 0 0 93 -2,-0.6 51,-0.2 1,-0.2 -1,-0.1 0.536 70.3 67.9 -76.8 -7.9 83.2 39.3 15.2 98 121 A R T 3 S- 0 0 91 49,-2.1 -1,-0.2 1,-0.3 50,-0.1 -0.085 94.1-130.3-110.0 34.0 80.3 38.5 12.8 99 122 A R < - 0 0 147 -3,-0.7 48,-3.0 47,-0.1 -1,-0.3 -0.104 42.8 -59.6 53.4-150.1 77.9 41.4 13.6 100 123 A S B > -G 146 0B 4 46,-0.3 4,-1.2 53,-0.1 3,-0.5 -0.595 47.3 -92.6-119.1-179.3 74.3 40.5 14.3 101 124 A L H > S+ 0 0 0 44,-1.4 4,-2.2 41,-1.2 42,-0.2 0.596 119.7 67.9 -68.4 -12.2 71.3 38.8 12.6 102 125 A L H > S+ 0 0 73 40,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.896 100.0 45.8 -73.4 -42.0 70.3 42.2 11.3 103 126 A E H > S+ 0 0 68 -3,-0.5 4,-0.9 2,-0.2 -2,-0.2 0.835 114.6 49.3 -69.0 -33.8 73.4 42.5 9.0 104 127 A L H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 3,-0.3 0.929 112.1 48.1 -66.8 -47.1 72.6 38.9 7.9 105 128 A H H X S+ 0 0 19 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.896 109.1 51.6 -61.9 -45.2 69.0 39.8 7.2 106 129 A K H < S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.778 118.3 39.8 -62.4 -27.8 69.7 43.0 5.3 107 130 A R H < S+ 0 0 160 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.782 128.6 28.9 -90.0 -32.3 72.1 41.0 3.1 108 131 A R H < S- 0 0 26 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.737 79.4-168.1-101.2 -29.1 70.1 37.8 2.7 109 132 A K S < S+ 0 0 85 -4,-3.1 95,-0.3 -5,-0.3 -1,-0.2 -0.445 70.7 20.3 59.5-141.4 66.4 38.9 3.0 110 133 A A S S- 0 0 48 93,-0.4 92,-0.2 -2,-0.1 2,-0.1 -0.338 84.5-153.2 -56.3 118.7 64.2 35.8 3.5 111 134 A V - 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0 0 1 -38,-0.1 4,-1.4 1,-0.1 3,-1.0 -0.359 360.0-115.3 -77.8 155.1 54.3 44.0 22.5 177 206 A P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 6,-0.3 0.803 113.1 64.0 -56.5 -33.1 50.7 45.3 22.8 178 207 A E H 34>S+ 0 0 15 1,-0.2 6,-1.1 2,-0.2 5,-0.9 0.815 104.6 45.0 -60.8 -35.2 50.9 45.1 26.6 179 208 A V H <45S+ 0 0 47 -3,-1.0 3,-0.3 2,-0.2 -1,-0.2 0.854 113.1 49.4 -79.0 -38.0 53.7 47.7 26.7 180 209 A L H <5S+ 0 0 49 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.831 114.2 44.8 -70.5 -34.8 51.9 50.1 24.2 181 210 A C T <5S- 0 0 82 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.516 102.3-135.0 -85.4 -7.2 48.6 49.9 26.1 182 211 A K T 5 + 0 0 107 -3,-0.3 -3,-0.2 -4,-0.3 -4,-0.1 0.664 64.7 132.5 60.7 20.5 50.5 50.4 29.5 183 212 A K S - 0 0 22 -2,-0.3 3,-1.1 -16,-0.2 4,-0.2 -0.259 68.0 -22.1-137.8-127.1 55.8 40.0 32.2 187 216 A F T >> S+ 0 0 49 1,-0.2 3,-1.7 2,-0.1 4,-0.6 0.779 115.4 74.4 -64.0 -31.5 57.7 37.2 30.4 188 217 A E H 3> S+ 0 0 50 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.462 78.0 74.2 -72.0 -1.4 55.4 37.0 27.3 189 218 A V H <> S+ 0 0 5 -3,-1.1 4,-1.9 2,-0.2 -1,-0.3 0.783 94.4 54.0 -75.6 -28.5 56.7 40.2 25.7 190 219 A D H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.2 -2,-0.2 0.831 105.1 53.3 -71.5 -34.1 59.9 38.3 24.8 191 220 A I H X S+ 0 0 4 -4,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.896 107.2 52.0 -66.5 -41.8 57.8 35.6 23.0 192 221 A W H X S+ 0 0 1 -4,-1.3 4,-1.8 2,-0.2 3,-0.3 0.949 110.2 47.8 -57.0 -52.4 56.1 38.4 21.0 193 222 A S H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.883 109.2 54.1 -56.9 -41.9 59.5 39.8 19.9 194 223 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.839 105.6 53.8 -62.0 -35.3 60.6 36.2 19.0 195 224 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.2 0.876 107.7 49.9 -64.8 -40.3 57.5 35.9 16.8 196 225 A C H X S+ 0 0 25 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.900 111.5 49.4 -62.3 -43.6 58.5 39.1 15.0 197 226 A I H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.927 110.9 47.8 -62.3 -49.1 62.0 37.7 14.5 198 227 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.877 113.4 49.7 -61.5 -38.6 60.9 34.4 13.1 199 228 A Y H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.954 111.3 48.3 -61.4 -51.2 58.5 36.2 10.8 200 229 A T H X S+ 0 0 7 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.838 111.3 50.4 -61.6 -36.9 61.3 38.5 9.6 201 230 A L H < S+ 0 0 0 -4,-2.4 -90,-2.7 1,-0.2 -1,-0.2 0.929 118.2 36.5 -67.3 -45.9 63.7 35.7 9.0 202 231 A L H < S+ 0 0 17 -4,-1.9 -2,-0.2 -92,-0.2 -1,-0.2 0.803 127.6 34.6 -79.7 -31.4 61.3 33.6 6.9 203 232 A V H < S- 0 0 29 -4,-2.7 -93,-0.4 -5,-0.2 -3,-0.2 0.869 98.2-125.7 -91.8 -44.4 59.5 36.4 5.1 204 233 A G S < S+ 0 0 11 -4,-1.5 -4,-0.1 -5,-0.4 -3,-0.1 0.211 82.6 63.0 112.8 -13.0 62.3 38.9 4.6 205 234 A K S S- 0 0 133 -6,-0.3 -1,-0.2 -96,-0.1 -2,-0.2 -0.988 90.5 -95.0-140.4 149.5 60.5 41.9 6.2 206 235 A P > - 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0 0 51 -2,-1.0 2,-0.4 -5,-0.1 -17,-0.1 -0.964 45.3-145.4-147.6 160.0 49.7 41.6 10.2 226 255 A S - 0 0 93 -19,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.919 5.7-150.8-136.9 111.2 49.6 39.1 7.3 227 256 A V - 0 0 22 -2,-0.4 -2,-0.0 1,-0.1 9,-0.0 -0.707 38.6-115.9 -73.2 117.4 51.7 36.0 7.1 228 257 A P > - 0 0 40 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.076 13.5-116.9 -57.7 156.6 52.0 35.5 3.3 229 258 A R T 3 S+ 0 0 103 1,-0.2 7,-0.1 -3,-0.0 -2,-0.0 0.672 109.4 70.0 -67.2 -18.3 50.6 32.4 1.6 230 259 A H T 3 S+ 0 0 187 2,-0.1 -1,-0.2 3,-0.0 2,-0.2 0.698 77.9 97.5 -74.6 -21.4 54.1 31.3 0.6 231 260 A I S < S- 0 0 24 -3,-1.2 5,-0.1 1,-0.1 -28,-0.0 -0.495 90.7 -98.7 -72.6 134.8 55.1 30.5 4.2 232 261 A N >> - 0 0 47 -2,-0.2 4,-2.6 1,-0.1 3,-0.9 -0.329 29.6-128.2 -50.1 123.5 54.8 26.8 5.3 233 262 A P H 3> S+ 0 0 95 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.815 108.5 57.1 -45.5 -40.2 51.5 26.4 7.2 234 263 A V H 3> S+ 0 0 29 2,-0.2 4,-1.3 1,-0.2 27,-0.3 0.884 112.5 39.7 -61.0 -42.8 53.4 24.8 10.2 235 264 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.838 113.9 55.6 -73.1 -35.9 55.6 27.9 10.5 236 265 A S H X S+ 0 0 12 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.882 105.9 51.4 -63.3 -41.0 52.6 30.1 9.9 237 266 A A H X S+ 0 0 36 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.887 110.1 49.0 -63.3 -41.7 50.7 28.5 12.7 238 267 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.902 109.2 51.7 -66.8 -43.2 53.6 29.0 15.1 239 268 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.924 108.2 51.6 -59.1 -46.8 54.0 32.7 14.2 240 269 A R H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.8 45.5 -62.1 -33.2 50.3 33.4 14.8 241 270 A R H >< S+ 0 0 96 -4,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.872 112.4 50.1 -76.6 -40.0 50.4 31.8 18.2 242 271 A M H 3< S+ 0 0 1 -4,-2.5 -47,-0.2 1,-0.3 -2,-0.2 0.839 115.9 43.4 -64.3 -35.6 53.7 33.7 19.2 243 272 A L T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.114 85.1 151.4-102.5 33.2 52.1 37.0 18.1 244 273 A H < - 0 0 66 -3,-1.2 6,-0.1 2,-0.1 -3,-0.1 -0.399 51.9-132.2 -68.0 141.1 48.7 36.3 19.7 245 274 A A S S+ 0 0 56 -2,-0.1 -1,-0.1 1,-0.1 -22,-0.1 0.837 96.9 68.3 -60.5 -35.5 46.8 39.4 20.9 246 275 A D S >> S- 0 0 69 1,-0.1 3,-1.1 2,-0.0 4,-0.6 -0.814 74.9-153.5 -90.2 115.2 46.2 37.7 24.2 247 276 A P T 34 S+ 0 0 30 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.722 95.4 57.2 -58.2 -25.2 49.6 37.4 26.1 248 277 A T T 34 S+ 0 0 114 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.762 101.3 54.4 -78.4 -28.5 48.2 34.3 27.9 249 278 A L T <4 S+ 0 0 105 -3,-1.1 -1,-0.2 2,-0.1 -4,-0.1 0.529 86.7 102.3 -85.5 -6.7 47.5 32.4 24.7 250 279 A R S < S- 0 0 12 -4,-0.6 -8,-0.2 -3,-0.3 -9,-0.0 -0.524 83.6-103.4 -72.5 143.1 51.1 32.8 23.6 251 280 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.360 33.1-116.0 -67.1 146.9 53.3 29.8 24.0 252 281 A S >> - 0 0 58 1,-0.1 3,-0.6 -4,-0.1 4,-0.6 -0.382 30.1-106.1 -73.0 161.9 55.8 29.7 26.9 253 282 A V H >> S+ 0 0 12 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.822 119.4 58.9 -59.7 -30.8 59.5 29.5 26.0 254 283 A A H 34 S+ 0 0 54 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.832 105.3 46.5 -68.9 -35.7 59.5 25.9 27.1 255 284 A E H <4 S+ 0 0 102 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.452 96.9 75.6 -89.8 -1.2 56.9 24.8 24.5 256 285 A L H X< S+ 0 0 0 -4,-0.6 3,-1.5 -3,-0.6 6,-0.3 0.933 93.9 49.1 -68.2 -50.3 58.6 26.7 21.7 257 286 A L T 3< S+ 0 0 23 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.802 110.2 51.8 -59.5 -33.1 61.4 24.1 21.3 258 287 A T T 3 S+ 0 0 110 -4,-0.5 -1,-0.3 3,-0.1 -2,-0.2 0.300 84.0 122.1 -92.4 8.7 59.0 21.2 21.2 259 288 A D S X S- 0 0 20 -3,-1.5 3,-1.3 1,-0.1 4,-0.2 -0.351 76.7-113.0 -70.5 152.3 56.8 22.8 18.4 260 289 A E T >> S+ 0 0 118 1,-0.3 3,-2.4 2,-0.2 4,-2.4 0.855 113.1 67.2 -52.0 -40.4 56.2 20.9 15.1 261 290 A F H 3> S+ 0 0 0 -27,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.816 100.7 47.9 -51.6 -37.6 58.3 23.6 13.3 262 291 A F H <4 S+ 0 0 17 -3,-1.3 -1,-0.3 -6,-0.3 -2,-0.2 0.367 122.8 33.8 -86.8 4.6 61.5 22.5 15.0 263 292 A T H <4 S+ 0 0 102 -3,-2.4 -2,-0.2 -4,-0.2 -1,-0.2 0.500 99.9 74.9-131.6 -15.1 60.8 18.8 14.3 264 293 A S H < S+ 0 0 60 -4,-2.4 2,-0.2 -5,-0.1 -3,-0.1 0.809 102.4 16.6 -76.7 -33.2 59.1 18.7 10.9 265 294 A G S < S- 0 0 33 -4,-0.5 2,-0.2 -5,-0.2 0, 0.0 -0.608 102.6 -45.1-130.0-171.3 62.1 19.5 8.7 266 295 A Y - 0 0 159 -2,-0.2 -149,-0.2 1,-0.1 -1,-0.1 -0.401 44.2-169.0 -64.8 124.5 65.9 19.6 8.5 267 296 A A - 0 0 43 -2,-0.2 2,-0.1 -150,-0.1 -152,-0.1 -0.891 13.2-148.2-117.1 97.2 67.5 21.2 11.5 268 297 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.424 5.7-154.1 -65.4 135.9 71.2 21.9 10.9 269 298 A M S S+ 0 0 144 -2,-0.1 2,-0.3 1,-0.1 0, 0.0 0.701 80.5 29.2 -82.7 -22.4 73.4 21.7 14.0 270 299 A R - 0 0 191 -118,-0.0 -1,-0.1 2,-0.0 -119,-0.1 -0.965 65.9-155.7-135.2 153.1 76.0 24.0 12.5 271 300 A L - 0 0 13 -121,-0.5 2,-0.1 -2,-0.3 -156,-0.0 -0.998 18.5-129.5-128.5 134.4 76.0 26.8 9.9 272 301 A P > - 0 0 66 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.392 28.4-111.1 -75.0 158.8 79.0 28.0 7.8 273 302 A T G > S+ 0 0 59 1,-0.3 3,-1.5 2,-0.1 4,-0.2 0.605 109.1 81.3 -66.3 -11.5 80.0 31.7 7.6 274 303 A S G >> S+ 0 0 47 1,-0.3 4,-3.0 2,-0.2 3,-1.6 0.716 72.8 77.2 -63.6 -23.2 78.7 31.7 4.0 275 304 A C G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.579 79.0 72.5 -65.3 -11.2 75.2 32.1 5.4 276 305 A L G <4 S+ 0 0 34 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.785 119.7 10.2 -70.1 -28.9 76.1 35.8 6.0 277 306 A T T <4 S+ 0 0 60 -3,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.713 130.2 27.1-121.0 -39.0 75.9 36.5 2.2 278 307 A V S < S- 0 0 73 -4,-3.0 -1,-0.3 0, 0.0 -170,-0.1 -0.913 82.0 -94.4-132.3 153.6 74.5 33.4 0.4 279 308 A P 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.440 360.0 360.0 -63.5 141.4 72.0 30.5 1.1 280 309 A P 0 0 96 0, 0.0 -165,-0.1 0, 0.0 -9,-0.0 -0.271 360.0 360.0 -68.0 360.0 73.8 27.3 2.2