==== 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 30-MAY-08 3DB6 . COMPND 2 MOLECULE: POLO-LIKE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,R.V.FUCINI,J.ZHU,K.J.BARR,M.J.ROMANOWSKI . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 62.7 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 15.7 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 0.3 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 0 1 0 2 0 0 0 0 1 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 0 177 0, 0.0 2,-0.4 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 88.3 71.3 88.6 25.8 2 25 A E - 0 0 166 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.755 360.0-121.1 -91.2 131.6 73.9 90.9 24.1 3 26 A I - 0 0 20 -2,-0.4 4,-0.1 1,-0.1 15,-0.0 -0.591 33.3-114.8 -74.3 123.5 77.6 90.3 24.8 4 27 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 -0.233 8.6-135.4 -58.3 143.7 79.2 93.5 26.4 5 28 A D S S+ 0 0 109 1,-0.1 13,-2.8 12,-0.1 2,-0.4 0.759 95.7 48.7 -70.5 -28.8 81.9 95.3 24.4 6 29 A V E S-A 17 0A 65 11,-0.2 2,-0.7 2,-0.0 11,-0.2 -0.966 75.2-154.2-116.0 130.5 84.1 95.6 27.5 7 30 A L E -A 16 0A 4 9,-3.8 9,-2.3 -2,-0.4 2,-0.3 -0.857 16.3-179.6-111.0 99.0 84.7 92.5 29.7 8 31 A V E -A 15 0A 88 -2,-0.7 7,-0.2 7,-0.2 3,-0.0 -0.748 17.0-144.8 -95.4 143.0 85.5 93.4 33.3 9 32 A D > - 0 0 8 5,-0.7 4,-1.8 -2,-0.3 5,-0.2 -0.943 9.8-141.1-110.4 126.8 86.2 90.8 36.0 10 33 A P T 4 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.807 96.2 42.9 -53.1 -35.8 84.9 91.4 39.6 11 34 A R T 4 S+ 0 0 85 1,-0.1 72,-0.1 3,-0.1 -2,-0.0 0.979 125.4 20.9 -74.5 -82.2 88.1 89.9 41.1 12 35 A T T 4 S- 0 0 94 1,-0.1 -1,-0.1 2,-0.1 -4,-0.0 0.634 91.6-138.6 -70.6 -16.4 91.3 91.1 39.3 13 36 A M < + 0 0 129 -4,-1.8 2,-0.5 1,-0.2 -1,-0.1 0.882 44.1 153.7 58.2 46.6 89.5 94.2 37.8 14 37 A K - 0 0 53 -5,-0.2 -5,-0.7 -7,-0.0 2,-0.6 -0.920 38.6-138.2-103.9 128.0 91.0 94.0 34.3 15 38 A R E -A 8 0A 32 -2,-0.5 21,-3.1 -7,-0.2 2,-0.5 -0.778 18.0-161.9 -90.6 116.5 89.0 95.5 31.5 16 39 A Y E -AB 7 35A 15 -9,-2.3 -9,-3.8 -2,-0.6 2,-0.5 -0.874 9.7-143.5-104.1 122.2 89.0 93.4 28.3 17 40 A M E -AB 6 34A 104 17,-3.6 17,-2.5 -2,-0.5 2,-0.6 -0.708 17.7-134.6 -80.8 126.1 88.0 94.8 25.0 18 41 A R E + B 0 33A 49 -13,-2.8 15,-0.2 -2,-0.5 3,-0.1 -0.741 36.7 166.6 -84.2 120.9 86.1 92.3 22.8 19 42 A G E - 0 0 27 13,-2.5 14,-0.1 -2,-0.6 -1,-0.1 0.185 39.0 -1.6-108.9-136.0 87.4 92.4 19.2 20 43 A R E S- 0 0 121 11,-0.1 12,-2.3 1,-0.1 -1,-0.3 -0.306 71.6-108.3 -68.7 138.2 87.1 90.2 16.1 21 44 A F E - B 0 31A 104 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.457 32.2-175.6 -62.7 126.8 85.1 87.0 16.2 22 45 A L E - 0 0 21 8,-1.6 2,-0.2 1,-0.4 9,-0.2 0.689 50.9 -71.7-100.7 -23.9 87.5 84.1 16.0 23 46 A G E - B 0 30A 21 7,-1.2 7,-2.4 2,-0.0 -1,-0.4 -0.849 41.1-107.5 149.6 173.5 85.0 81.2 15.8 24 47 A K E - B 0 29A 168 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.782 19.9-179.6-129.9 172.7 82.3 79.2 17.7 25 48 A G E > - B 0 28A 42 3,-2.3 3,-1.6 -2,-0.2 2,-0.7 -0.542 58.7 -42.5 179.5 108.2 81.9 75.7 19.2 26 49 A G T 3 S- 0 0 94 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 -0.596 124.3 -18.7 74.2-111.0 79.0 74.0 21.0 27 50 A F T 3 S+ 0 0 39 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.2 0.634 122.6 86.9 -97.8 -21.0 77.6 76.6 23.4 28 51 A A E < -B 25 0A 16 -3,-1.6 -3,-2.3 19,-0.2 2,-0.4 -0.521 56.0-161.6 -90.0 147.5 80.7 78.8 23.4 29 52 A K E -BC 24 46A 104 17,-1.5 17,-2.0 -5,-0.2 -5,-0.2 -0.980 17.9-145.2-128.4 117.2 81.5 81.7 21.1 30 53 A C E -BC 23 45A 17 -7,-2.4 -8,-1.6 -2,-0.4 -7,-1.2 -0.548 18.2-179.9 -90.4 146.6 85.2 82.8 21.0 31 54 A Y E -BC 21 44A 36 13,-2.2 13,-3.3 -10,-0.2 2,-0.8 -0.969 35.8-108.6-139.9 153.1 86.5 86.3 20.5 32 55 A E E - C 0 43A 36 -12,-2.3 -13,-2.5 -2,-0.3 2,-0.4 -0.767 43.4-165.8 -79.5 110.0 89.9 88.1 20.3 33 56 A I E -BC 18 42A 1 9,-2.8 9,-3.1 -2,-0.8 2,-0.4 -0.877 8.8-157.9-107.9 132.7 90.1 90.0 23.6 34 57 A T E -BC 17 41A 30 -17,-2.5 -17,-3.6 -2,-0.4 2,-0.6 -0.897 22.7-124.0-106.6 131.8 92.5 92.8 24.3 35 58 A D E > -B 16 0A 7 5,-2.9 4,-2.8 -2,-0.4 -19,-0.2 -0.672 21.6-148.8 -70.7 115.6 93.5 93.9 27.8 36 59 A M T 4 S+ 0 0 94 -21,-3.1 -1,-0.2 -2,-0.6 -20,-0.1 0.662 90.9 47.9 -66.3 -17.5 92.6 97.6 27.7 37 60 A D T 4 S+ 0 0 148 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.874 127.6 17.9 -90.5 -43.9 95.3 98.5 30.2 38 61 A T T 4 S- 0 0 61 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.630 92.5-125.6-104.7 -19.1 98.4 96.7 28.8 39 62 A K < + 0 0 142 -4,-2.8 2,-0.2 1,-0.3 -3,-0.1 0.526 55.2 153.3 78.8 10.1 97.3 95.9 25.2 40 63 A E - 0 0 105 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.519 37.2-136.1 -72.2 136.5 98.0 92.2 25.7 41 64 A V E +C 34 0A 40 -7,-0.2 54,-0.4 -2,-0.2 2,-0.3 -0.788 29.1 165.2-105.5 136.1 95.9 90.0 23.4 42 65 A F E -C 33 0A 23 -9,-3.1 -9,-2.8 -2,-0.4 2,-0.7 -0.890 41.1-105.0-138.4 166.2 94.0 86.8 24.4 43 66 A A E -CD 32 93A 10 50,-3.1 50,-2.9 -2,-0.3 2,-0.6 -0.889 37.2-161.7 -96.0 114.2 91.3 84.4 23.2 44 67 A G E -CD 31 92A 2 -13,-3.3 -13,-2.2 -2,-0.7 2,-0.5 -0.872 4.6-155.7-103.2 117.1 88.2 85.0 25.2 45 68 A K E -CD 30 91A 90 46,-2.6 46,-1.9 -2,-0.6 2,-0.7 -0.808 6.0-163.2 -92.0 124.3 85.5 82.4 25.3 46 69 A V E +CD 29 90A 1 -17,-2.0 -17,-1.5 -2,-0.5 44,-0.2 -0.913 10.7 179.9-111.3 106.5 82.0 83.7 26.1 47 70 A V E - D 0 89A 19 42,-1.7 42,-2.4 -2,-0.7 -19,-0.2 -0.937 26.0-124.4-114.0 121.2 79.6 81.0 27.1 48 71 A P E > - D 0 88A 30 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.265 15.7-127.9 -59.6 144.9 75.9 81.8 28.1 49 72 A K T 3 S+ 0 0 63 38,-2.8 3,-0.3 1,-0.3 39,-0.1 0.637 105.2 72.1 -70.3 -15.7 74.7 80.7 31.5 50 73 A S T 3 S+ 0 0 68 37,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.602 93.0 57.4 -73.2 -12.2 71.7 79.0 29.8 51 74 A M S < S+ 0 0 35 -3,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.724 105.5 49.4 -86.2 -26.6 74.2 76.4 28.6 52 75 A L S S+ 0 0 43 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 -0.383 71.5 124.6-108.3 51.6 75.3 75.5 32.1 53 76 A L + 0 0 135 -3,-0.4 -1,-0.2 -2,-0.2 -2,-0.1 0.916 56.5 72.3 -76.4 -46.3 71.9 75.1 33.7 54 77 A K S >> S- 0 0 130 -3,-0.3 4,-1.8 1,-0.1 3,-0.7 -0.514 78.1-138.6 -70.1 135.2 72.4 71.5 35.0 55 78 A P H 3> S+ 0 0 111 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.685 107.0 64.7 -64.8 -18.3 74.8 71.3 38.1 56 79 A H H 3> S+ 0 0 116 2,-0.2 4,-1.1 1,-0.2 3,-0.1 0.863 103.4 44.5 -66.4 -40.6 76.1 68.3 36.2 57 80 A Q H <> S+ 0 0 77 -3,-0.7 4,-1.4 1,-0.2 3,-0.2 0.875 110.1 53.6 -73.3 -40.4 77.3 70.5 33.4 58 81 A K H X S+ 0 0 42 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.666 105.5 57.6 -67.7 -18.6 78.8 73.1 35.8 59 82 A E H X S+ 0 0 40 -4,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.864 103.9 49.7 -76.8 -40.9 80.7 70.2 37.4 60 83 A K H X S+ 0 0 89 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.830 113.2 47.7 -67.5 -33.9 82.4 69.3 34.1 61 84 A M H X S+ 0 0 43 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.894 111.3 48.4 -73.8 -43.1 83.5 72.9 33.6 62 85 A S H X S+ 0 0 69 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.751 113.0 48.8 -72.6 -25.5 84.9 73.4 37.1 63 86 A T H X S+ 0 0 81 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.891 112.7 48.7 -72.7 -44.5 86.8 70.2 36.9 64 87 A E H X S+ 0 0 55 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.899 109.8 51.4 -61.1 -45.0 88.2 71.2 33.5 65 88 A I H X S+ 0 0 16 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.917 107.6 52.6 -60.0 -45.8 89.2 74.7 34.7 66 89 A A H X S+ 0 0 62 -4,-1.3 4,-1.1 1,-0.2 -1,-0.2 0.892 113.3 43.4 -59.1 -43.7 91.1 73.2 37.7 67 90 A I H < S+ 0 0 15 -4,-1.8 4,-0.3 2,-0.2 3,-0.2 0.928 118.7 43.4 -66.7 -46.2 93.1 70.9 35.4 68 91 A H H >< S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.2 11,-0.3 0.867 107.9 59.2 -68.8 -39.0 93.8 73.6 32.8 69 92 A K H 3< S+ 0 0 75 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 101.9 54.8 -57.8 -37.3 94.6 76.4 35.3 70 93 A S T 3< S+ 0 0 79 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.3 0.533 88.5 102.3 -78.3 -7.8 97.5 74.4 36.8 71 94 A L < + 0 0 16 -3,-1.3 8,-0.4 -4,-0.3 2,-0.2 -0.603 36.2 166.4 -88.2 135.6 99.2 73.9 33.4 72 95 A D + 0 0 139 -2,-0.3 5,-0.1 6,-0.1 6,-0.0 -0.754 26.0 124.7-147.7 96.3 102.3 76.0 32.3 73 96 A N > - 0 0 31 3,-0.4 3,-2.4 -2,-0.2 53,-0.0 -0.964 62.4-123.0-156.2 134.5 104.1 74.6 29.2 74 97 A P T 3 S+ 0 0 87 0, 0.0 52,-0.1 0, 0.0 4,-0.0 0.403 112.9 50.2 -65.3 6.0 105.0 76.2 25.9 75 98 A H T 3 S+ 0 0 26 50,-0.1 80,-3.0 51,-0.1 2,-0.4 0.204 98.8 75.0-124.8 12.4 103.1 73.4 24.0 76 99 A V B < S-f 155 0B 4 -3,-2.4 -3,-0.4 78,-0.3 80,-0.2 -0.993 91.6-104.7-125.3 132.4 99.9 73.6 26.0 77 100 A V - 0 0 12 78,-3.2 -6,-0.1 -2,-0.4 -2,-0.1 -0.345 44.0-117.0 -55.6 122.7 97.3 76.4 25.5 78 101 A G - 0 0 13 -2,-0.1 16,-1.6 17,-0.1 2,-0.6 -0.297 14.2-148.0 -64.3 144.5 97.5 78.8 28.4 79 102 A F E -E 93 0A 27 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.934 17.1-180.0-113.3 102.8 94.6 79.4 30.8 80 103 A H E - 0 0 99 12,-2.6 13,-0.2 -2,-0.6 2,-0.1 0.148 54.6 -64.7 -96.8 19.2 94.9 83.0 32.0 81 104 A G E - 0 0 28 11,-0.3 11,-2.8 -16,-0.1 2,-0.3 -0.118 43.0-123.8 116.2 150.4 91.9 83.1 34.3 82 105 A F E +E 91 0A 99 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.909 27.3 161.4-126.0 155.1 88.1 82.8 34.3 83 106 A F E -E 90 0A 16 7,-2.6 7,-2.9 -2,-0.3 2,-0.3 -0.952 14.8-150.5-160.0 175.5 85.3 85.0 35.5 84 107 A E E -E 89 0A 96 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.986 9.4-164.5-152.3 155.5 81.5 85.6 35.2 85 108 A D - 0 0 53 3,-2.1 -76,-0.0 -2,-0.3 5,-0.0 -0.469 58.4 -73.2-118.0-157.8 78.6 88.1 35.2 86 109 A D S S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.1 -37,-0.0 0.383 129.3 26.5 -82.3 6.0 74.8 87.4 35.4 87 110 A D S S+ 0 0 81 1,-0.3 -38,-2.8 -39,-0.1 2,-0.3 0.623 117.8 34.8-132.6 -40.4 74.8 86.2 31.8 88 111 A F E -D 48 0A 6 -40,-0.2 -3,-2.1 -39,-0.1 2,-0.6 -0.897 55.6-138.5-130.6 151.5 78.1 84.8 30.7 89 112 A V E -DE 47 84A 7 -42,-2.4 -42,-1.7 -2,-0.3 2,-0.4 -0.954 29.1-154.2-107.3 115.2 81.1 82.8 31.9 90 113 A Y E -DE 46 83A 7 -7,-2.9 -7,-2.6 -2,-0.6 2,-0.5 -0.766 10.8-171.0 -97.0 129.6 84.3 84.3 30.5 91 114 A V E -DE 45 82A 21 -46,-1.9 -46,-2.6 -2,-0.4 2,-0.6 -0.982 11.3-150.5-122.2 123.4 87.5 82.3 30.0 92 115 A V E +D 44 0A 2 -11,-2.8 -12,-2.6 -2,-0.5 -11,-0.3 -0.834 26.7 169.6 -98.1 117.6 90.8 84.0 29.0 93 116 A L E -DE 43 79A 23 -50,-2.9 -50,-3.1 -2,-0.6 -14,-0.2 -0.793 40.8 -82.1-125.6 164.0 93.1 81.8 27.0 94 117 A E - 0 0 51 -16,-1.6 2,-0.3 -2,-0.3 -52,-0.1 -0.391 53.4-111.1 -61.7 138.2 96.3 82.0 24.9 95 118 A I - 0 0 28 -54,-0.4 2,-0.4 -2,-0.1 -1,-0.1 -0.587 30.9-175.5 -79.1 131.5 95.7 83.3 21.4 96 119 A C > + 0 0 21 -2,-0.3 3,-0.8 52,-0.1 51,-0.2 -0.764 5.2 175.8-126.7 87.0 96.2 80.8 18.5 97 120 A R T 3 + 0 0 89 -2,-0.4 51,-0.2 1,-0.2 -1,-0.1 0.547 68.0 68.0 -72.2 -9.6 95.7 82.8 15.3 98 121 A R T 3 S- 0 0 80 49,-1.8 -1,-0.2 1,-0.3 50,-0.1 -0.033 96.6-128.1-104.9 31.5 96.6 79.9 12.9 99 122 A R < - 0 0 113 -3,-0.8 48,-2.5 47,-0.1 -1,-0.3 0.004 43.5 -51.8 51.3-162.2 93.5 77.6 13.6 100 123 A S B >> -G 146 0B 5 46,-0.2 4,-1.2 1,-0.1 3,-0.6 -0.542 48.0-103.4-102.0 172.0 94.0 74.0 14.4 101 124 A L H 3> S+ 0 0 0 44,-1.9 4,-2.4 41,-1.1 42,-0.2 0.663 117.3 69.4 -65.7 -17.3 95.9 71.1 12.8 102 125 A L H 3> S+ 0 0 51 40,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.919 97.8 47.4 -65.4 -46.5 92.5 70.0 11.5 103 126 A E H <> S+ 0 0 80 -3,-0.6 4,-1.3 2,-0.2 -2,-0.2 0.867 112.5 50.4 -65.1 -37.6 92.2 72.9 9.1 104 127 A L H X S+ 0 0 2 -4,-1.2 4,-2.3 2,-0.2 3,-0.3 0.937 110.7 50.0 -60.7 -47.9 95.7 72.3 8.0 105 128 A H H X S+ 0 0 22 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.876 109.2 50.1 -59.9 -42.7 94.9 68.6 7.4 106 129 A K H < S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.790 117.5 40.5 -69.2 -28.9 91.7 69.4 5.3 107 130 A R H < S+ 0 0 165 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.770 128.2 30.1 -86.6 -30.4 93.6 71.8 3.1 108 131 A R H < S- 0 0 26 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.762 79.9-167.2-100.8 -30.5 96.8 69.7 2.8 109 132 A K S < S+ 0 0 134 -4,-2.9 101,-0.2 -5,-0.3 -1,-0.2 -0.429 70.7 18.4 58.6-145.9 95.8 66.1 3.0 110 133 A A S S- 0 0 48 99,-0.4 98,-0.2 -2,-0.1 2,-0.2 -0.271 84.8-149.3 -52.4 121.1 98.8 63.9 3.5 111 134 A V - 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0 0 24 0, 0.0 3,-1.2 0, 0.0 -9,-0.1 -0.246 31.1-127.0 -56.4 144.0 91.9 58.6 9.7 213 236 A P T 3 S+ 0 0 10 0, 0.0 19,-0.2 0, 0.0 -11,-0.0 0.720 108.7 32.8 -69.4 -23.5 92.7 54.9 10.2 214 237 A F T 3 S+ 0 0 12 17,-0.1 2,-0.2 2,-0.1 12,-0.1 -0.020 85.7 148.4-121.9 28.9 89.2 54.0 11.4 215 238 A E < + 0 0 127 -3,-1.2 2,-0.3 2,-0.0 3,-0.1 -0.469 14.7 154.2 -67.3 125.8 87.3 56.5 9.2 216 239 A T - 0 0 43 -2,-0.2 6,-0.1 1,-0.1 -2,-0.1 -0.984 52.3-126.8-148.2 155.1 83.8 55.3 8.1 217 240 A S S S+ 0 0 139 -2,-0.3 2,-0.4 1,-0.0 -1,-0.1 0.894 100.4 64.0 -62.4 -41.7 80.5 56.9 7.0 218 241 A C S > S- 0 0 63 1,-0.1 4,-1.4 -3,-0.1 -1,-0.0 -0.729 70.3-155.8 -91.4 132.3 78.8 54.7 9.7 219 242 A L H > S+ 0 0 111 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.879 93.0 57.1 -72.3 -41.5 79.7 55.3 13.3 220 243 A K H > S+ 0 0 160 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.869 107.8 49.5 -57.5 -39.9 78.7 51.8 14.5 221 244 A E H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 103.5 60.2 -65.5 -43.3 81.2 50.3 12.0 222 245 A T H X S+ 0 0 25 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.874 104.3 49.5 -52.6 -43.1 84.0 52.7 13.2 223 246 A Y H X S+ 0 0 59 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.847 107.9 53.8 -67.9 -35.6 83.8 51.2 16.8 224 247 A I H X S+ 0 0 59 -4,-1.2 4,-2.9 -3,-0.2 5,-0.3 0.930 106.6 52.4 -61.7 -47.4 84.0 47.6 15.4 225 248 A R H X>S+ 0 0 64 -4,-2.3 5,-3.0 2,-0.2 4,-0.8 0.893 111.8 46.6 -53.9 -45.2 87.2 48.6 13.6 226 249 A I H ><5S+ 0 0 5 -4,-1.7 3,-0.7 3,-0.2 -2,-0.2 0.958 113.2 47.4 -64.3 -53.1 88.7 49.9 16.8 227 250 A K H 3<5S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.918 118.0 41.1 -53.8 -49.2 87.7 46.9 18.9 228 251 A K H 3<5S- 0 0 141 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.594 109.6-124.2 -75.9 -11.5 89.0 44.4 16.4 229 252 A N T <<5 + 0 0 44 -4,-0.8 2,-0.8 -3,-0.7 -3,-0.2 0.892 47.9 171.3 63.8 44.6 92.1 46.6 15.7 230 253 A E < + 0 0 111 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.780 18.2 111.5 -94.6 108.5 91.3 46.7 12.0 231 254 A Y - 0 0 51 -2,-0.8 2,-0.4 -17,-0.0 -17,-0.1 -0.965 43.4-148.6-163.5 159.8 93.5 49.1 10.0 232 255 A S - 0 0 92 -2,-0.3 -2,-0.0 -19,-0.2 3,-0.0 -0.958 11.1-143.3-142.6 124.6 96.2 49.1 7.4 233 256 A V - 0 0 27 -2,-0.4 -2,-0.0 9,-0.1 9,-0.0 -0.769 40.7-109.2 -79.1 119.8 99.1 51.5 6.9 234 257 A P > - 0 0 46 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.157 20.6-120.9 -48.9 142.7 99.5 51.8 3.1 235 258 A R T 3 S+ 0 0 213 1,-0.3 7,-0.1 -3,-0.0 -2,-0.0 0.679 106.6 74.2 -62.6 -19.0 102.7 50.2 1.8 236 259 A H T 3 S+ 0 0 147 2,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.812 77.8 95.0 -63.1 -35.0 103.8 53.6 0.4 237 260 A I S < S- 0 0 28 -3,-1.4 -28,-0.0 1,-0.1 -4,-0.0 -0.210 92.9 -87.8 -62.0 145.9 104.7 54.9 3.9 238 261 A N > - 0 0 46 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.313 31.8-130.1 -48.6 128.3 108.2 54.7 5.4 239 262 A P H > S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.880 109.3 53.3 -48.1 -42.8 108.8 51.3 7.1 240 263 A V H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.875 111.6 43.6 -64.0 -42.1 110.1 53.3 10.2 241 264 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 114.4 49.5 -70.3 -43.0 106.9 55.5 10.4 242 265 A S H X S+ 0 0 12 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.837 109.0 54.3 -65.2 -34.0 104.6 52.5 9.8 243 266 A A H X S+ 0 0 37 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.956 109.6 46.7 -60.6 -51.7 106.5 50.6 12.5 244 267 A L H X S+ 0 0 1 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.917 111.3 51.2 -57.4 -48.5 105.9 53.4 15.0 245 268 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.912 108.0 52.4 -55.7 -47.0 102.2 53.7 14.1 246 269 A R H < S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.3 43.9 -62.0 -35.5 101.7 49.9 14.6 247 270 A R H >< S+ 0 0 101 -4,-1.7 3,-1.5 -3,-0.2 -1,-0.2 0.913 112.5 52.1 -72.6 -44.5 103.3 50.1 18.1 248 271 A M H 3< S+ 0 0 1 -4,-3.0 -47,-0.3 1,-0.3 -2,-0.2 0.784 113.7 45.5 -62.1 -28.9 101.3 53.3 19.0 249 272 A L T 3< S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 2,-0.2 -0.181 81.8 149.0-107.5 37.4 98.1 51.6 17.9 250 273 A H < - 0 0 71 -3,-1.5 6,-0.2 1,-0.1 -3,-0.1 -0.537 50.5-136.0 -72.3 136.7 98.8 48.3 19.7 251 274 A A S S+ 0 0 56 -2,-0.2 -1,-0.1 -22,-0.1 -67,-0.1 0.860 95.1 71.1 -59.6 -38.1 95.7 46.5 21.0 252 275 A D S >> S- 0 0 66 1,-0.1 3,-1.4 -69,-0.0 4,-0.6 -0.755 76.9-153.2 -80.9 114.3 97.5 45.9 24.3 253 276 A P T 34 S+ 0 0 20 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.751 93.9 55.7 -58.6 -27.0 97.7 49.3 26.1 254 277 A T T 34 S+ 0 0 101 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.593 101.8 55.7 -85.0 -13.6 100.9 48.1 27.9 255 278 A L T <4 S+ 0 0 103 -3,-1.4 -1,-0.2 -5,-0.1 -4,-0.1 0.505 87.2 99.9 -95.0 -7.4 102.7 47.2 24.7 256 279 A R S < S- 0 0 13 -4,-0.6 -8,-0.2 -3,-0.3 -9,-0.1 -0.471 86.8 -98.8 -68.5 147.6 102.2 50.7 23.4 257 280 A P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.283 34.3-118.8 -62.6 154.8 105.2 53.0 23.8 258 281 A S > - 0 0 56 1,-0.1 4,-1.0 -3,-0.1 3,-0.2 -0.488 30.5-104.0 -83.0 166.6 105.4 55.5 26.7 259 282 A V H >> S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.910 122.5 52.1 -58.9 -44.5 105.6 59.2 26.0 260 283 A A H 3> S+ 0 0 53 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.844 106.3 55.2 -60.0 -35.5 109.3 59.3 26.8 261 284 A E H 34 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.719 97.2 64.5 -73.4 -23.5 109.9 56.5 24.4 262 285 A L H X< S+ 0 0 0 -4,-1.0 3,-1.7 -3,-0.7 6,-0.3 0.917 96.5 54.6 -65.9 -45.3 108.3 58.3 21.5 263 286 A L H 3< S+ 0 0 25 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.0 47.9 -60.0 -35.1 110.9 61.1 21.3 264 287 A T T 3< S+ 0 0 108 -4,-0.7 -1,-0.3 4,-0.1 -2,-0.2 0.306 86.3 126.2 -91.2 8.1 113.8 58.8 21.0 265 288 A D S X> S- 0 0 15 -3,-1.7 3,-1.8 1,-0.1 4,-1.2 -0.334 74.7-115.0 -69.3 149.7 112.1 56.7 18.2 266 289 A E H 3> S+ 0 0 116 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.785 113.3 68.4 -52.8 -31.9 114.0 56.1 14.9 267 290 A F H 34 S+ 0 0 0 -27,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.820 108.2 35.4 -58.2 -34.4 111.2 58.1 13.2 268 291 A F H <4 S+ 0 0 16 -3,-1.8 -1,-0.2 -6,-0.3 -2,-0.2 0.676 121.2 46.7 -92.1 -19.3 112.4 61.3 14.9 269 292 A T H < S+ 0 0 94 -4,-1.2 -2,-0.2 -3,-0.1 -3,-0.2 0.685 111.2 42.8-101.2 -23.6 116.2 60.5 14.9 270 293 A S S < S+ 0 0 71 -4,-2.2 -3,-0.1 -5,-0.2 3,-0.1 0.952 102.3 53.6 -91.1 -63.1 116.9 59.3 11.3 271 294 A G S S- 0 0 27 -5,-0.4 2,-0.3 -4,-0.3 0, 0.0 -0.022 100.5 -68.8 -73.0 175.0 115.1 61.5 8.8 272 295 A Y - 0 0 165 1,-0.0 -155,-0.2 -155,-0.0 -1,-0.2 -0.476 47.9-173.9 -68.8 126.4 115.1 65.3 8.3 273 296 A A - 0 0 42 -2,-0.3 -158,-0.1 -3,-0.1 2,-0.1 -0.918 11.8-150.0-126.5 102.9 113.4 67.1 11.2 274 297 A P - 0 0 13 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.395 7.1-151.7 -71.4 149.6 113.0 70.9 10.7 275 298 A M S S+ 0 0 157 1,-0.1 2,-0.3 -2,-0.1 0, 0.0 0.731 80.9 36.1 -91.5 -28.8 113.0 73.1 13.8 276 299 A R - 0 0 188 -124,-0.0 -1,-0.1 0, 0.0 -125,-0.1 -0.920 64.8-160.7-122.4 151.4 110.8 75.8 12.2 277 300 A L - 0 0 16 -127,-0.4 2,-0.1 -2,-0.3 -162,-0.0 -1.000 20.0-126.6-129.4 135.2 107.9 75.7 9.8 278 301 A P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.367 26.2-113.9 -73.2 157.5 106.6 78.6 7.7 279 302 A T G > S+ 0 0 59 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.610 109.3 81.1 -67.2 -11.0 102.9 79.7 7.7 280 303 A S G >> S+ 0 0 48 1,-0.3 4,-3.0 2,-0.2 3,-1.7 0.718 72.5 77.3 -63.8 -23.4 102.8 78.5 4.1 281 304 A C G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 79.0 71.4 -62.0 -20.2 102.4 74.9 5.5 282 305 A L G <4 S+ 0 0 36 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.2 0.796 119.9 12.1 -62.3 -29.9 98.8 75.8 6.2 283 306 A T T <4 S+ 0 0 58 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.748 129.4 25.4-119.0 -43.2 98.1 75.7 2.4 284 307 A V S < S- 0 0 77 -4,-3.0 -1,-0.3 0, 0.0 -176,-0.1 -0.919 81.3 -95.5-131.3 152.4 101.1 74.2 0.5 285 308 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.390 52.6 -97.5 -63.0 144.2 103.9 71.7 1.1 286 309 A P 0 0 47 0, 0.0 -171,-0.1 0, 0.0 -5,-0.0 -0.473 360.0 360.0 -69.3 127.6 107.3 73.4 2.1 287 310 A R 0 0 296 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.910 360.0 360.0 -79.8 360.0 109.7 73.8 -0.8