==== 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 31-MAY-08 3DBC . COMPND 2 MOLECULE: POLO-LIKE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR R.A.ELLING,J.ZHU,K.J.BARR,M.J.ROMANOWSKI . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.8 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 28.7 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 1 1 0 0 1 1 1 0 0 0 1 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 . 1 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 0 208 0, 0.0 86,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 110.0 48.4 63.4 2 25 A E - 0 0 143 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.195 360.0-124.8 -63.7 147.2 111.2 46.0 60.7 3 26 A I - 0 0 6 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.864 40.1-102.9 -94.2 121.4 110.2 46.4 57.0 4 27 A P - 0 0 44 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.019 15.9-135.5 -46.5 139.1 108.6 43.1 55.7 5 28 A D S S+ 0 0 104 1,-0.2 13,-1.7 12,-0.1 2,-0.4 0.775 96.2 39.0 -68.2 -29.2 110.7 40.9 53.5 6 29 A V E S-A 17 0A 61 11,-0.2 2,-0.5 27,-0.0 11,-0.2 -0.994 79.0-150.2-124.8 130.9 107.8 40.4 51.2 7 30 A L E +A 16 0A 3 9,-3.6 9,-3.6 -2,-0.4 2,-0.3 -0.877 19.7 172.7-107.6 128.9 105.4 43.2 50.3 8 31 A V E -A 15 0A 69 -2,-0.5 7,-0.2 7,-0.2 3,-0.0 -0.957 15.0-154.3-134.4 149.7 101.7 42.6 49.4 9 32 A D > - 0 0 7 5,-0.5 4,-0.9 -2,-0.3 76,-0.1 -0.945 22.3-133.0-125.1 147.5 98.6 44.8 48.8 10 33 A P T 4 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 73,-0.0 0.853 101.6 52.4 -60.2 -36.1 94.8 44.1 49.1 11 34 A R T 4 S+ 0 0 90 1,-0.1 72,-0.1 3,-0.1 -3,-0.0 0.994 125.8 11.7 -67.0 -81.5 94.1 45.6 45.6 12 35 A T T 4 S- 0 0 81 2,-0.1 -1,-0.1 1,-0.0 -4,-0.0 0.697 87.3-144.8 -72.9 -21.2 96.4 43.9 43.0 13 36 A M < + 0 0 124 -4,-0.9 2,-0.4 1,-0.2 -5,-0.0 0.898 42.4 153.9 49.9 48.8 97.4 41.2 45.4 14 37 A K - 0 0 97 -5,-0.1 2,-0.6 22,-0.0 -5,-0.5 -0.860 40.7-132.7-103.7 140.1 101.0 41.1 44.0 15 38 A R E -A 8 0A 33 -2,-0.4 21,-2.9 -7,-0.2 2,-0.4 -0.848 20.9-167.2-100.0 118.6 103.9 39.9 46.1 16 39 A Y E -AB 7 35A 12 -9,-3.6 -9,-3.6 -2,-0.6 2,-0.7 -0.849 14.1-139.6-105.1 141.1 107.0 42.0 46.0 17 40 A M E -AB 6 34A 111 17,-2.4 17,-1.1 -2,-0.4 2,-0.6 -0.884 18.5-131.1-104.6 112.0 110.4 40.9 47.4 18 41 A R E + B 0 33A 56 -13,-1.7 15,-0.2 -2,-0.7 3,-0.1 -0.464 41.4 167.0 -65.3 107.2 112.3 43.7 49.2 19 42 A G E + 0 0 31 13,-1.9 14,-0.1 -2,-0.6 -1,-0.1 0.343 38.2 0.0 -98.2-135.2 115.8 43.6 47.8 20 43 A R E - 0 0 135 11,-0.1 12,-2.6 12,-0.1 -1,-0.2 -0.291 69.7-113.0 -69.8 135.3 118.8 45.9 47.9 21 44 A F E - B 0 31A 101 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.354 32.0-179.4 -58.1 139.3 118.8 49.2 49.8 22 45 A L E - 0 0 63 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.656 48.1 -68.3-118.6 -27.8 119.0 52.2 47.5 23 46 A G E - B 0 30A 25 7,-1.1 7,-2.0 2,-0.0 -1,-0.4 -0.970 38.3 -96.8 162.2-173.9 118.9 55.2 49.8 24 47 A K E - B 0 29A 168 -2,-0.3 2,-0.7 5,-0.2 5,-0.3 -0.902 19.1-168.8-145.0 113.3 116.9 57.4 52.2 25 48 A G E > - B 0 28A 55 3,-2.7 3,-1.8 -2,-0.3 2,-0.6 -0.883 68.5 -54.7-102.5 106.8 115.1 60.6 51.4 26 49 A G T 3 S- 0 0 73 -2,-0.7 0, 0.0 1,-0.3 0, 0.0 -0.527 124.9 -16.6 65.0-109.5 114.1 62.4 54.6 27 50 A F T 3 S+ 0 0 158 -2,-0.6 2,-0.5 2,-0.1 -1,-0.3 0.071 119.9 96.6-111.2 21.2 112.1 59.8 56.5 28 51 A A E < -B 25 0A 13 -3,-1.8 -3,-2.7 19,-0.1 19,-0.2 -0.937 55.1-162.9-119.4 111.8 111.6 57.6 53.4 29 52 A K E -BC 24 46A 100 17,-1.3 17,-3.0 -2,-0.5 2,-0.4 -0.539 11.3-150.0 -83.3 157.5 113.8 54.6 52.8 30 53 A C E -BC 23 45A 26 -7,-2.0 -8,-2.9 15,-0.2 -7,-1.1 -0.993 13.2-176.2-139.5 129.2 113.9 53.0 49.3 31 54 A Y E -BC 21 44A 23 13,-1.9 13,-3.2 -2,-0.4 2,-0.9 -0.910 35.2-111.7-124.8 147.9 114.5 49.4 48.2 32 55 A E E - C 0 43A 31 -12,-2.6 -13,-1.9 -2,-0.3 2,-0.3 -0.716 45.6-167.4 -73.7 108.3 114.8 47.7 44.8 33 56 A I E -BC 18 42A 2 9,-3.5 9,-3.5 -2,-0.9 2,-0.4 -0.777 6.5-153.2-105.0 150.8 111.7 45.5 44.9 34 57 A T E -BC 17 41A 36 -17,-1.1 -17,-2.4 -2,-0.3 2,-0.5 -0.977 20.7-118.5-132.2 131.6 110.9 42.6 42.6 35 58 A D E > -B 16 0A 5 5,-2.1 4,-3.0 -2,-0.4 -19,-0.2 -0.553 21.2-150.9 -69.4 114.8 107.6 41.1 41.4 36 59 A M T 4 S+ 0 0 90 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.674 94.2 37.0 -65.1 -18.0 107.7 37.4 42.6 37 60 A D T 4 S+ 0 0 143 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.1 0.803 131.9 23.9 -99.9 -40.2 105.5 36.3 39.7 38 61 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.716 87.7-137.2 -99.3 -26.6 106.8 38.5 36.8 39 62 A K < + 0 0 137 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.503 49.7 150.7 74.9 8.3 110.3 39.4 38.0 40 63 A E - 0 0 119 -5,-0.1 -5,-2.1 -6,-0.1 2,-0.3 -0.571 40.8-133.5 -72.0 131.0 109.8 43.0 36.9 41 64 A V E +C 34 0A 36 -2,-0.3 54,-0.4 -7,-0.2 2,-0.3 -0.667 27.7 175.3-100.0 141.8 111.9 45.2 39.1 42 65 A F E -C 33 0A 21 -9,-3.5 -9,-3.5 -2,-0.3 2,-0.7 -0.980 34.9-115.8-143.4 151.2 110.8 48.5 40.8 43 66 A A E -CD 32 93A 12 50,-1.6 50,-1.9 -2,-0.3 2,-0.7 -0.808 34.9-156.5 -88.3 113.5 112.0 51.1 43.2 44 67 A G E -CD 31 92A 2 -13,-3.2 -13,-1.9 -2,-0.7 2,-0.6 -0.827 6.5-152.6-101.1 110.1 109.8 50.9 46.3 45 68 A K E -CD 30 91A 47 46,-2.9 46,-2.8 -2,-0.7 2,-0.7 -0.704 14.3-162.3 -75.5 119.8 109.5 54.0 48.5 46 69 A V E -CD 29 90A 3 -17,-3.0 -17,-1.3 -2,-0.6 44,-0.2 -0.896 10.2-179.3-111.5 104.9 108.7 52.8 52.0 47 70 A V E - D 0 89A 19 42,-3.1 42,-3.8 -2,-0.7 2,-0.2 -0.913 23.4-132.5-106.4 121.6 107.3 55.4 54.4 48 71 A P E > - D 0 88A 31 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.488 12.6-130.4 -73.3 141.2 106.5 54.3 58.0 49 72 A K G > S+ 0 0 58 38,-3.5 3,-0.7 1,-0.3 39,-0.1 0.655 100.2 78.6 -65.9 -17.6 103.1 55.4 59.3 50 73 A S G 3 S+ 0 0 77 37,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.645 95.3 49.2 -65.5 -15.2 104.7 56.8 62.5 51 74 A M G < S+ 0 0 63 -3,-1.8 3,-0.3 1,-0.1 -1,-0.3 0.648 111.7 48.6 -92.0 -21.3 105.6 59.8 60.3 52 75 A L S < S+ 0 0 30 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.1 0.011 72.7 109.3-109.1 24.9 102.0 60.1 59.0 53 76 A L + 0 0 144 -3,-0.2 -1,-0.2 4,-0.1 -3,-0.1 0.868 68.6 74.4 -65.5 -36.5 100.3 59.9 62.4 54 77 A K S > S- 0 0 124 -3,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.678 82.4-142.4 -75.7 126.1 99.5 63.6 61.9 55 78 A P T 4 S+ 0 0 108 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.569 98.4 65.9 -64.5 -10.6 96.7 64.0 59.3 56 79 A H T >> S+ 0 0 97 2,-0.2 4,-1.2 1,-0.1 3,-0.8 0.943 108.2 34.1 -73.1 -53.9 98.6 67.2 58.1 57 80 A Q H 3> S+ 0 0 93 -3,-0.3 4,-1.5 1,-0.2 5,-0.2 0.783 112.2 65.1 -70.1 -28.7 101.7 65.3 56.8 58 81 A K H 3< S+ 0 0 36 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.605 102.3 49.2 -69.5 -14.6 99.3 62.4 55.8 59 82 A E H <> S+ 0 0 122 -3,-0.8 4,-1.3 -4,-0.2 -1,-0.2 0.854 103.0 58.4 -86.6 -44.7 97.8 64.8 53.3 60 83 A K H X S+ 0 0 112 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.857 110.8 42.3 -56.4 -40.5 101.1 66.0 51.7 61 84 A M H X S+ 0 0 30 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.840 109.5 57.1 -75.8 -33.7 102.0 62.5 50.7 62 85 A S H > S+ 0 0 61 -4,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.686 108.9 48.8 -70.3 -16.6 98.5 61.7 49.6 63 86 A T H X S+ 0 0 46 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.850 108.3 52.1 -82.7 -43.9 98.9 64.7 47.2 64 87 A E H X S+ 0 0 34 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.906 115.0 42.8 -56.3 -46.0 102.3 63.5 46.0 65 88 A I H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.943 110.7 56.5 -64.9 -49.4 100.8 60.1 45.2 66 89 A A H X S+ 0 0 60 -4,-1.2 4,-0.9 -5,-0.2 -2,-0.2 0.903 115.7 36.2 -47.0 -51.7 97.6 61.7 43.7 67 90 A I H >X S+ 0 0 9 -4,-2.6 3,-1.2 2,-0.2 4,-0.8 0.981 115.4 50.2 -69.5 -60.4 99.7 63.7 41.2 68 91 A H H >< S+ 0 0 6 -4,-2.2 3,-1.1 1,-0.3 11,-0.2 0.852 106.1 60.1 -49.1 -40.6 102.5 61.3 40.3 69 92 A K H 3< S+ 0 0 69 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.871 101.4 52.5 -54.2 -42.9 99.8 58.6 39.7 70 93 A S H << S+ 0 0 75 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.663 93.2 97.6 -71.3 -19.2 98.1 60.6 36.9 71 94 A L << + 0 0 15 -3,-1.1 8,-0.4 -4,-0.8 2,-0.2 -0.383 40.8 170.7 -79.4 148.5 101.4 61.1 35.0 72 95 A D + 0 0 136 -2,-0.1 6,-0.1 6,-0.1 5,-0.1 -0.699 26.3 121.3-157.8 102.1 102.7 59.2 32.0 73 96 A N > - 0 0 38 3,-0.3 3,-2.4 -2,-0.2 2,-0.4 -0.927 64.4-116.6-166.2 135.4 105.8 60.4 30.1 74 97 A P T 3 S+ 0 0 80 0, 0.0 52,-0.1 0, 0.0 3,-0.1 0.236 114.1 49.7 -62.6 16.5 109.3 59.0 29.3 75 98 A H T 3 S+ 0 0 26 -2,-0.4 80,-3.3 50,-0.1 2,-0.4 0.189 98.4 72.1-140.8 12.3 110.9 61.8 31.3 76 99 A V B < S-f 155 0B 3 -3,-2.4 -3,-0.3 78,-0.3 80,-0.2 -0.953 99.4 -92.8-120.2 144.8 109.0 61.5 34.5 77 100 A V - 0 0 11 78,-3.6 -6,-0.1 -2,-0.4 -2,-0.1 -0.398 50.1-110.4 -55.3 125.2 109.5 58.5 36.9 78 101 A G - 0 0 19 -2,-0.1 16,-1.5 -6,-0.1 2,-0.5 -0.323 27.9-143.0 -58.1 138.8 106.9 55.9 36.0 79 102 A F E +E 93 0A 29 -8,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.929 22.1 175.1-108.1 132.9 104.2 55.3 38.5 80 103 A H E - 0 0 96 12,-2.0 13,-0.1 -2,-0.5 -1,-0.1 -0.284 56.0 -72.2-134.3 47.7 102.9 51.8 39.1 81 104 A G E - 0 0 35 -16,-0.1 11,-1.2 10,-0.1 -1,-0.2 0.574 41.6-125.9 78.9 136.5 100.4 52.1 42.0 82 105 A F E +E 91 0A 93 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.597 25.8 178.6-102.1 170.8 100.9 52.7 45.7 83 106 A F E -E 90 0A 13 7,-2.2 7,-3.3 -2,-0.2 2,-0.3 -0.927 11.5-149.5-169.4 154.1 99.6 50.6 48.7 84 107 A E E -E 89 0A 102 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.903 5.9-170.6-127.3 151.1 99.7 50.5 52.5 85 108 A D - 0 0 53 3,-2.2 -76,-0.0 -2,-0.3 -2,-0.0 -0.591 55.8 -70.8-119.2-165.6 99.6 48.0 55.3 86 109 A D S S+ 0 0 150 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.680 128.3 20.5 -62.1 -18.5 99.2 48.5 59.1 87 110 A D S S+ 0 0 69 1,-0.2 -38,-3.5 -38,-0.1 -37,-0.4 0.709 119.2 36.7-123.1 -34.1 102.7 50.0 59.5 88 111 A F E -D 48 0A 11 -40,-0.3 -3,-2.2 -39,-0.1 2,-0.5 -0.952 57.6-136.9-132.1 147.6 104.1 51.4 56.2 89 112 A V E -DE 47 84A 5 -42,-3.8 -42,-3.1 -2,-0.3 2,-0.5 -0.894 26.7-157.2 -96.1 129.9 103.0 53.2 53.0 90 113 A Y E -DE 46 83A 3 -7,-3.3 -7,-2.2 -2,-0.5 2,-0.6 -0.938 9.4-169.0-117.0 116.5 104.6 51.7 49.9 91 114 A V E -DE 45 82A 6 -46,-2.8 -46,-2.9 -2,-0.5 2,-0.5 -0.917 12.2-151.4-104.7 120.8 105.0 53.6 46.7 92 115 A V E +D 44 0A 1 -11,-1.2 -12,-2.0 -2,-0.6 2,-0.2 -0.816 26.7 166.4 -97.1 125.3 106.1 51.6 43.7 93 116 A L E -DE 43 79A 17 -50,-1.9 -50,-1.6 -2,-0.5 -14,-0.2 -0.744 39.9 -73.1-134.4 174.2 108.1 53.4 41.0 94 117 A E - 0 0 45 -16,-1.5 2,-0.4 -2,-0.2 -52,-0.1 -0.479 52.0-114.8 -73.4 139.3 110.3 53.1 37.9 95 118 A I - 0 0 23 -54,-0.4 2,-0.5 -2,-0.2 -1,-0.1 -0.629 29.1-176.8 -84.9 126.4 113.8 51.8 38.6 96 119 A C > + 0 0 21 -2,-0.4 3,-1.2 52,-0.1 51,-0.3 -0.814 2.9 178.4-122.4 89.7 116.7 54.2 37.9 97 120 A R T 3 S+ 0 0 106 -2,-0.5 51,-0.2 1,-0.3 -1,-0.1 0.220 72.7 66.0 -83.3 15.9 119.9 52.2 38.5 98 121 A R T 3 S- 0 0 86 49,-2.1 -1,-0.3 1,-0.3 50,-0.2 0.171 95.9-136.5-118.2 16.3 122.2 55.1 37.5 99 122 A R < - 0 0 160 -3,-1.2 48,-2.2 48,-0.2 -1,-0.3 -0.052 40.8 -40.7 54.4-160.1 121.3 57.5 40.4 100 123 A S B >> -G 146 0B 6 46,-0.2 4,-1.5 1,-0.1 3,-0.9 -0.613 49.0-107.2-105.6 160.5 120.7 61.2 39.9 101 124 A L H 3> S+ 0 0 0 44,-2.5 4,-2.2 41,-0.8 42,-0.2 0.643 117.9 66.8 -57.2 -16.1 122.3 64.0 37.9 102 125 A L H 3> S+ 0 0 55 40,-1.0 4,-3.2 2,-0.2 -1,-0.3 0.955 98.2 48.9 -66.7 -53.4 123.6 65.2 41.2 103 126 A E H <> S+ 0 0 49 -3,-0.9 4,-2.0 1,-0.2 5,-0.2 0.919 112.3 50.0 -51.1 -46.4 125.8 62.1 41.6 104 127 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.922 112.7 46.7 -59.6 -45.7 127.0 62.7 38.0 105 128 A H H X S+ 0 0 22 -4,-2.2 4,-4.1 2,-0.2 3,-0.4 0.968 110.2 51.0 -59.9 -56.4 127.7 66.4 38.9 106 129 A K H < S+ 0 0 144 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 118.0 39.9 -47.7 -43.5 129.6 65.7 42.1 107 130 A R H < S+ 0 0 160 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.751 129.2 29.7 -79.4 -28.5 131.8 63.1 40.4 108 131 A R H < S- 0 0 26 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.2 0.682 80.7-167.4-102.9 -24.1 132.3 65.1 37.1 109 132 A K S < S+ 0 0 141 -4,-4.1 2,-0.3 -5,-0.2 76,-0.2 -0.395 70.9 20.6 49.1-137.7 132.0 68.7 38.2 110 133 A A S S- 0 0 51 74,-0.3 73,-0.2 -2,-0.1 72,-0.1 -0.346 82.1-155.3 -60.3 112.4 131.6 70.9 35.1 111 134 A V - 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0 0 45 0, 0.0 3,-0.7 0, 0.0 -9,-0.1 -0.450 29.7-129.3 -67.4 143.1 125.7 75.9 42.1 188 236 A P T 3 S+ 0 0 16 0, 0.0 19,-0.3 0, 0.0 -10,-0.0 0.744 104.4 28.1 -66.1 -26.8 125.0 79.6 41.4 189 237 A F T 3 S+ 0 0 12 17,-0.1 2,-0.2 2,-0.0 11,-0.2 0.236 87.9 136.7-120.6 12.2 123.7 80.4 44.9 190 238 A E < + 0 0 124 -3,-0.7 2,-0.3 10,-0.1 3,-0.1 -0.401 17.0 147.0 -66.4 129.1 125.6 77.8 46.9 191 239 A T - 0 0 45 -2,-0.2 6,-0.1 1,-0.1 -2,-0.0 -0.945 54.9-116.1-149.8 163.9 127.2 78.8 50.2 192 240 A S S S+ 0 0 127 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 0.891 98.5 76.1 -67.5 -40.7 127.9 77.0 53.5 193 241 A C > - 0 0 78 1,-0.1 4,-1.5 -3,-0.1 -2,-0.1 -0.625 69.6-155.9 -78.9 123.1 125.6 79.4 55.4 194 242 A L H > S+ 0 0 127 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.861 94.8 52.7 -67.3 -39.9 121.9 78.6 54.8 195 243 A K H > S+ 0 0 162 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.884 106.6 55.4 -60.2 -39.8 120.7 82.1 55.6 196 244 A E H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.882 103.8 53.0 -62.6 -42.8 123.3 83.4 53.1 197 245 A T H X S+ 0 0 28 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.929 108.1 50.6 -57.5 -48.3 121.9 81.3 50.2 198 246 A Y H X S+ 0 0 140 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.754 112.3 47.6 -63.2 -27.9 118.4 82.7 50.9 199 247 A I H X S+ 0 0 62 -4,-1.2 4,-2.9 -3,-0.2 5,-0.3 0.919 109.2 52.1 -77.0 -48.0 119.8 86.2 50.8 200 248 A R H <>S+ 0 0 80 -4,-2.8 5,-3.8 1,-0.2 -2,-0.2 0.864 112.7 47.2 -52.7 -41.3 121.8 85.6 47.6 201 249 A I H ><5S+ 0 0 62 -4,-2.3 3,-1.2 3,-0.2 -1,-0.2 0.962 113.3 47.0 -66.2 -53.3 118.5 84.3 46.0 202 250 A K H 3<5S+ 0 0 151 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.944 116.6 41.5 -53.7 -57.6 116.4 87.3 47.2 203 251 A K T 3<5S- 0 0 146 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.447 113.0-122.6 -72.9 1.5 118.8 90.0 46.1 204 252 A N T < 5 + 0 0 46 -3,-1.2 2,-0.9 -5,-0.3 -3,-0.2 0.922 46.7 174.6 54.3 52.3 119.4 87.9 42.9 205 253 A E < + 0 0 101 -5,-3.8 2,-0.3 -6,-0.2 -1,-0.2 -0.790 17.0 123.5 -98.2 102.4 123.1 87.7 43.5 206 254 A Y - 0 0 51 -2,-0.9 2,-0.4 -5,-0.0 -17,-0.1 -0.983 38.3-156.0-151.2 151.4 125.0 85.5 41.0 207 255 A S - 0 0 98 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.938 11.6-147.0-135.0 112.5 127.9 85.9 38.6 208 256 A V - 0 0 33 -2,-0.4 -2,-0.0 1,-0.1 -28,-0.0 -0.637 31.3-115.6 -73.4 125.5 128.3 83.7 35.6 209 257 A P > - 0 0 45 0, 0.0 3,-1.0 0, 0.0 8,-0.1 -0.218 15.3-122.3 -58.2 153.7 132.0 83.2 34.9 210 258 A R T 3 S+ 0 0 229 1,-0.2 -2,-0.0 7,-0.0 7,-0.0 0.601 105.5 73.8 -74.6 -11.7 133.4 84.6 31.6 211 259 A H T 3 S+ 0 0 158 2,-0.1 -1,-0.2 -27,-0.0 2,-0.2 0.679 78.4 93.4 -74.7 -20.4 134.6 81.1 30.6 212 260 A I S < S- 0 0 28 -3,-1.0 -28,-0.0 1,-0.1 -4,-0.0 -0.519 93.8 -92.4 -78.1 140.7 131.0 80.0 29.9 213 261 A N > - 0 0 60 -2,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.250 29.2-130.2 -52.0 132.1 129.7 80.4 26.3 214 262 A P H > S+ 0 0 96 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.918 109.9 49.4 -50.7 -50.1 128.0 83.7 25.7 215 263 A V H > S+ 0 0 29 2,-0.2 4,-1.4 1,-0.2 27,-0.3 0.821 113.7 47.7 -60.9 -35.3 124.9 82.0 24.1 216 264 A A H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 3,-0.4 0.988 114.5 43.2 -67.1 -61.4 124.8 79.7 27.1 217 265 A S H X S+ 0 0 12 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.885 108.9 61.1 -51.1 -44.3 125.2 82.4 29.8 218 266 A A H X S+ 0 0 36 -4,-3.4 4,-1.5 -5,-0.3 -1,-0.2 0.912 110.5 39.1 -47.7 -53.2 122.7 84.6 27.8 219 267 A L H X S+ 0 0 1 -4,-1.4 4,-2.3 -3,-0.4 -1,-0.2 0.872 112.6 56.8 -65.5 -40.2 120.0 81.9 28.3 220 268 A I H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.898 106.1 51.1 -62.4 -38.9 121.1 81.2 31.8 221 269 A R H < S+ 0 0 115 -4,-3.2 4,-0.4 1,-0.2 3,-0.2 0.909 110.8 48.5 -59.8 -44.7 120.6 84.9 32.7 222 270 A R H >< S+ 0 0 94 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.852 109.3 52.1 -65.7 -37.1 117.0 84.8 31.2 223 271 A M H 3< S+ 0 0 2 -4,-2.3 -47,-0.3 1,-0.2 -1,-0.2 0.761 117.2 38.4 -73.2 -24.9 116.1 81.6 33.1 224 272 A L T 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.323 86.2 144.7-105.6 3.9 117.2 83.1 36.4 225 273 A H < - 0 0 75 -3,-0.6 6,-0.1 -4,-0.4 5,-0.1 -0.086 55.2-126.8 -50.0 141.2 115.9 86.6 35.6 226 274 A A S S+ 0 0 58 1,-0.1 -1,-0.1 -22,-0.1 -22,-0.1 0.890 96.0 69.6 -61.0 -48.0 114.4 88.5 38.6 227 275 A D S >> S- 0 0 66 1,-0.2 3,-2.9 2,-0.1 4,-0.5 -0.666 76.2-152.6 -75.7 104.4 111.1 89.3 37.0 228 276 A P G >4 S+ 0 0 50 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.715 93.6 58.2 -51.3 -25.2 109.4 85.9 36.8 229 277 A T G 34 S+ 0 0 108 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.1 0.573 99.7 56.1 -86.1 -12.0 107.3 87.1 33.9 230 278 A L G <4 S+ 0 0 110 -3,-2.9 -1,-0.2 -5,-0.1 -5,-0.1 0.423 86.0 103.4 -94.6 -3.9 110.5 87.9 31.8 231 279 A R S << S- 0 0 40 -3,-0.5 -8,-0.2 -4,-0.5 -58,-0.1 -0.532 82.5-103.5 -72.4 146.3 111.7 84.3 32.3 232 280 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.182 31.8-113.3 -68.3 163.6 111.2 82.1 29.2 233 281 A S > - 0 0 52 1,-0.1 4,-0.9 -61,-0.0 3,-0.5 -0.556 29.8-105.6 -90.0 163.8 108.4 79.5 28.8 234 282 A V H >> S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 4,-0.9 0.924 123.0 49.9 -53.4 -48.8 109.1 75.8 28.6 235 283 A A H 3> S+ 0 0 54 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.786 105.5 58.2 -62.8 -28.9 108.4 75.8 24.9 236 284 A E H 34 S+ 0 0 106 -3,-0.5 4,-0.3 1,-0.2 -1,-0.3 0.671 97.5 63.7 -75.9 -17.0 110.7 78.7 24.4 237 285 A L H X< S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.9 6,-0.3 0.972 95.8 52.3 -71.4 -57.1 113.6 76.8 25.9 238 286 A L H 3< S+ 0 0 26 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.815 110.4 51.1 -47.5 -38.1 114.0 73.9 23.3 239 287 A T T 3< S+ 0 0 103 -4,-0.7 -1,-0.3 4,-0.1 -2,-0.2 0.577 84.1 120.5 -80.5 -12.4 114.1 76.5 20.5 240 288 A D S X> S- 0 0 28 -3,-2.2 3,-2.1 -4,-0.3 4,-1.1 -0.189 77.8-113.0 -61.0 145.6 116.9 78.6 22.1 241 289 A E H 3> S+ 0 0 111 1,-0.3 4,-3.1 2,-0.2 5,-0.4 0.783 112.8 68.6 -44.0 -37.3 120.2 79.1 20.3 242 290 A F H 34 S+ 0 0 2 -27,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.803 106.6 37.3 -55.8 -35.8 121.9 77.0 23.0 243 291 A F H <4 S+ 0 0 16 -3,-2.1 -1,-0.2 -6,-0.3 -2,-0.2 0.695 125.6 38.6 -89.1 -20.8 120.2 73.9 21.9 244 292 A T H < S+ 0 0 97 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.2 0.637 108.4 56.1-108.0 -19.5 120.3 74.6 18.1 245 293 A S S < S+ 0 0 70 -4,-3.1 -3,-0.1 -5,-0.2 2,-0.1 0.936 105.4 42.9 -82.0 -49.5 123.7 76.2 17.5 246 294 A G S S- 0 0 26 -5,-0.4 2,-0.1 -4,-0.4 0, 0.0 -0.361 101.0 -69.4 -97.0 174.4 126.1 73.6 18.9 247 295 A Y - 0 0 169 -2,-0.1 -130,-0.2 1,-0.0 -1,-0.1 -0.387 44.6-168.3 -65.1 131.8 126.3 69.8 18.7 248 296 A A - 0 0 42 -2,-0.1 2,-0.1 -131,-0.1 -133,-0.1 -0.956 11.1-144.6-127.9 111.6 123.6 68.0 20.6 249 297 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.453 5.9-156.4 -75.6 147.2 124.0 64.2 21.1 250 298 A M S S+ 0 0 156 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.757 81.1 32.9 -91.4 -31.3 120.9 61.9 21.1 251 299 A R - 0 0 189 -99,-0.0 -1,-0.2 0, 0.0 -100,-0.1 -0.929 69.2-154.3-121.2 150.3 122.5 59.2 23.2 252 300 A L - 0 0 16 -102,-0.4 2,-0.1 -2,-0.3 -100,-0.0 -0.981 18.1-124.6-122.4 139.4 125.0 59.3 26.0 253 301 A P > - 0 0 60 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.356 23.9-118.5 -69.8 159.1 127.5 56.6 27.1 254 302 A T G > S+ 0 0 64 1,-0.2 3,-2.3 2,-0.1 4,-0.2 0.746 106.4 81.2 -69.6 -23.8 127.5 55.4 30.7 255 303 A S G >> S+ 0 0 47 1,-0.3 4,-2.7 2,-0.2 3,-2.3 0.774 72.7 78.2 -48.6 -31.2 131.1 56.7 30.8 256 304 A C G <4 S+ 0 0 0 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.612 76.2 74.5 -59.8 -14.4 129.7 60.2 31.4 257 305 A L G <4 S+ 0 0 30 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.794 119.7 8.2 -66.8 -27.7 129.0 59.2 35.0 258 306 A T T <4 S+ 0 0 57 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.680 131.6 24.1-126.0 -38.1 132.8 59.5 35.8 259 307 A V S < S- 0 0 72 -4,-2.7 -1,-0.3 -148,-0.0 -151,-0.1 -0.910 83.4 -90.7-132.2 159.3 134.6 61.0 32.8 260 308 A P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.393 45.5-115.9 -65.0 148.1 133.8 63.2 29.7 261 309 A P 0 0 41 0, 0.0 -146,-0.1 0, 0.0 -149,-0.0 -0.381 360.0 360.0 -83.3 162.8 132.7 61.5 26.5 262 310 A R 0 0 297 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.152 360.0 360.0-126.2 360.0 134.6 61.5 23.1