==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-10 3MA6 . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.K.WERNIMONT,W.QIU,M.AMANI,J.D.ARTZ,A.A.HASSANI,G.SENISTERR . 533 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 29 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 3 5 1 1 3 0 4 0 0 1 0 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 2 0 3 3 2 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 1 3 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 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 29 A I 0 0 133 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 167.6 -2.5 36.7 31.7 2 30 A F >> + 0 0 36 1,-0.2 4,-2.7 2,-0.2 3,-1.2 0.850 360.0 58.5 -66.3 -39.6 -3.1 35.6 28.0 3 31 A S T 34 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 23,-0.0 0.822 100.6 56.8 -60.2 -37.0 -4.1 39.1 26.8 4 32 A D T 34 S+ 0 0 117 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.597 120.4 27.8 -70.8 -15.2 -0.7 40.6 27.9 5 33 A R T <4 S+ 0 0 85 -3,-1.2 21,-2.5 -4,-0.3 22,-0.4 0.731 120.0 31.6-118.5 -37.5 1.2 38.1 25.7 6 34 A Y E < -A 25 0A 11 -4,-2.7 2,-0.5 19,-0.2 -1,-0.3 -0.978 56.4-146.0-133.8 147.1 -0.8 37.0 22.6 7 35 A K E -A 24 0A 41 17,-2.4 17,-2.4 -2,-0.3 2,-0.2 -0.947 28.0-126.4-111.7 123.7 -3.5 38.5 20.3 8 36 A G E +A 23 0A 61 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.480 34.3 162.4 -76.1 138.5 -6.2 36.1 19.0 9 37 A Q E - 0 0 93 13,-3.0 2,-0.1 1,-0.4 -1,-0.1 0.332 50.4 -7.1-115.1-116.7 -7.0 35.8 15.2 10 38 A R E - 0 0 153 1,-0.1 12,-3.1 11,-0.0 2,-0.7 -0.454 65.7-107.1 -89.7 159.4 -9.0 32.9 13.5 11 39 A V E -A 21 0A 92 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.799 26.5-169.0 -88.4 110.1 -10.2 29.5 14.8 12 40 A L E - 0 0 71 8,-0.9 2,-0.3 -2,-0.7 9,-0.2 0.783 54.7 -81.8 -69.5 -31.1 -7.9 26.8 13.3 13 41 A G E -A 20 0A 28 7,-1.7 7,-3.3 0, 0.0 2,-0.4 -0.911 52.6 -57.0 151.7-174.8 -10.3 24.0 14.5 14 42 A K E -A 19 0A 102 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.836 45.8-173.3-103.4 137.3 -11.3 21.9 17.5 15 43 A G - 0 0 35 3,-2.3 -1,-0.1 -2,-0.4 4,-0.1 -0.058 41.8 -73.7-105.2-154.3 -8.8 19.7 19.4 16 44 A S S S+ 0 0 57 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.985 123.3 14.3 -73.8 -63.5 -9.1 17.0 22.2 17 45 A F S S- 0 0 39 1,-0.1 2,-0.3 25,-0.0 21,-0.2 0.158 133.3 -17.1-103.5 18.7 -9.7 19.1 25.4 18 46 A G S S- 0 0 20 19,-0.2 -3,-2.3 23,-0.0 19,-0.2 -0.929 82.1 -56.8 163.0 173.7 -10.7 22.4 23.7 19 47 A E E -AB 14 36A 103 17,-0.9 17,-2.8 -2,-0.3 2,-0.4 -0.518 42.1-137.0 -79.7 141.8 -10.8 24.7 20.6 20 48 A V E -AB 13 35A 39 -7,-3.3 -7,-1.7 15,-0.2 -8,-0.9 -0.868 23.6-177.6-102.0 130.4 -7.5 25.7 18.8 21 49 A I E -AB 11 34A 25 13,-1.9 13,-2.3 -2,-0.4 2,-0.4 -0.974 29.7-115.2-130.2 143.0 -7.1 29.4 17.7 22 50 A L E + B 0 33A 6 -12,-3.1 -13,-3.0 -2,-0.3 2,-0.3 -0.657 40.7 179.7 -78.7 125.8 -4.3 31.2 15.8 23 51 A C E -AB 8 32A 0 9,-2.3 9,-3.6 -2,-0.4 2,-0.4 -0.958 19.8-140.6-130.0 148.3 -2.6 33.8 18.0 24 52 A K E -AB 7 31A 22 -17,-2.4 -17,-2.4 -2,-0.3 2,-0.2 -0.912 27.3-111.3-111.8 136.9 0.3 36.3 17.4 25 53 A D E > -A 6 0A 16 5,-2.0 4,-1.7 -2,-0.4 -19,-0.2 -0.492 22.7-138.7 -65.1 125.5 3.0 37.2 20.0 26 54 A K T 4 S+ 0 0 119 -21,-2.5 -1,-0.1 -2,-0.2 -20,-0.1 0.586 99.1 28.7 -64.8 -11.4 2.4 40.8 21.1 27 55 A I T 4 S+ 0 0 139 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.760 131.4 29.2-116.6 -45.5 6.2 41.5 21.0 28 56 A T T 4 S- 0 0 96 2,-0.1 -2,-0.1 1,-0.0 -4,-0.0 0.677 90.1-134.5 -91.6 -19.9 7.8 39.1 18.4 29 57 A G < + 0 0 49 -4,-1.7 2,-0.2 1,-0.3 -3,-0.1 0.438 48.4 156.8 79.4 2.5 4.8 38.9 16.1 30 58 A Q - 0 0 107 -6,-0.1 -5,-2.0 1,-0.1 2,-0.3 -0.417 44.6-122.3 -65.1 128.1 5.2 35.0 15.8 31 59 A E E +B 24 0A 107 -7,-0.2 54,-0.5 -2,-0.2 2,-0.2 -0.566 40.6 173.6 -73.3 130.3 2.1 33.1 14.9 32 60 A C E -BC 23 84A 1 -9,-3.6 -9,-2.3 -2,-0.3 2,-0.4 -0.776 30.4-117.4-131.0 173.6 1.2 30.4 17.5 33 61 A A E -BC 22 83A 14 50,-3.0 50,-2.8 -2,-0.2 2,-0.4 -0.977 24.6-162.9-119.4 128.8 -1.5 27.9 18.3 34 62 A V E -BC 21 82A 9 -13,-2.3 -13,-1.9 -2,-0.4 2,-0.7 -0.964 9.1-152.0-118.5 129.6 -3.6 28.2 21.6 35 63 A K E -BC 20 81A 29 46,-2.6 46,-1.7 -2,-0.4 2,-1.1 -0.893 10.5-154.3-100.0 109.7 -5.8 25.4 23.1 36 64 A V E -BC 19 80A 35 -17,-2.8 2,-1.0 -2,-0.7 -17,-0.9 -0.760 9.1-166.3 -88.5 94.0 -8.7 27.0 25.1 37 65 A I - 0 0 12 42,-2.3 2,-0.2 -2,-1.1 -19,-0.2 -0.752 16.4-140.2 -86.4 97.0 -9.5 24.3 27.7 38 66 A S > - 0 0 35 -2,-1.0 4,-2.2 -21,-0.2 3,-0.3 -0.434 4.6-151.4 -62.4 121.1 -12.9 25.4 29.1 39 67 A K T 4 S+ 0 0 65 38,-1.4 -1,-0.1 -2,-0.2 39,-0.1 0.738 94.3 58.7 -64.7 -26.9 -13.1 24.8 32.9 40 68 A R T 4 S+ 0 0 102 37,-0.5 -1,-0.2 1,-0.1 38,-0.1 0.863 118.5 26.4 -71.0 -41.9 -17.0 24.3 32.7 41 69 A Q T 4 S+ 0 0 63 -3,-0.3 2,-0.4 1,-0.1 -2,-0.2 0.643 118.6 61.4 -97.4 -20.8 -16.8 21.3 30.2 42 70 A V S < S- 0 0 21 -4,-2.2 2,-0.2 -25,-0.1 -1,-0.1 -0.951 71.8-148.6-115.0 127.3 -13.4 19.9 31.1 43 71 A K - 0 0 66 -2,-0.4 115,-1.3 -3,-0.1 2,-0.7 -0.614 18.4-119.0 -92.1 150.4 -12.5 18.5 34.6 44 72 A Q B -E 157 0B 79 -2,-0.2 113,-0.2 113,-0.2 4,-0.1 -0.829 21.0-171.3 -94.5 110.2 -9.0 18.7 36.3 45 73 A K S S+ 0 0 69 111,-2.6 2,-0.2 -2,-0.7 112,-0.2 0.641 70.5 45.3 -72.7 -19.6 -7.8 15.1 37.1 46 74 A T S S- 0 0 44 110,-0.7 2,-0.2 1,-0.0 110,-0.0 -0.756 97.8 -83.0-122.7 168.6 -4.8 16.5 39.1 47 75 A D >> - 0 0 68 -2,-0.2 4,-1.4 1,-0.1 3,-1.1 -0.500 45.4-111.1 -71.5 139.9 -4.1 19.2 41.8 48 76 A K H 3> S+ 0 0 85 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.726 117.8 49.3 -40.8 -37.2 -3.6 22.8 40.5 49 77 A E H 3> S+ 0 0 170 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.846 106.6 53.2 -75.8 -39.6 0.1 22.7 41.5 50 78 A S H <> S+ 0 0 44 -3,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.771 106.9 53.7 -68.3 -28.2 0.9 19.2 39.8 51 79 A L H X S+ 0 0 26 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.935 112.3 43.6 -68.7 -47.4 -0.5 20.5 36.5 52 80 A L H X S+ 0 0 99 -4,-1.2 4,-1.8 1,-0.2 -2,-0.2 0.783 110.2 57.2 -66.5 -32.4 1.8 23.6 36.6 53 81 A R H X S+ 0 0 64 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.872 111.9 41.0 -66.3 -40.1 4.7 21.3 37.7 54 82 A E H X S+ 0 0 53 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.891 111.6 55.3 -74.2 -43.5 4.3 19.1 34.5 55 83 A V H X S+ 0 0 15 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.871 105.8 53.9 -55.7 -41.9 3.7 22.2 32.2 56 84 A Q H X S+ 0 0 92 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.890 111.7 43.7 -60.3 -43.7 7.1 23.6 33.5 57 85 A L H X S+ 0 0 60 -4,-1.1 4,-1.0 1,-0.2 3,-0.5 0.906 111.3 54.8 -68.5 -42.6 8.8 20.3 32.5 58 86 A L H < S+ 0 0 24 -4,-2.8 11,-0.5 1,-0.2 3,-0.3 0.829 103.2 56.6 -58.5 -39.0 6.9 20.3 29.1 59 87 A K H < S+ 0 0 74 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 107.0 48.5 -62.0 -38.3 8.2 23.8 28.3 60 88 A Q H < S+ 0 0 122 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.708 91.2 100.8 -74.4 -25.3 11.8 22.7 28.6 61 89 A L < + 0 0 17 -4,-1.0 2,-0.4 -3,-0.3 8,-0.4 -0.506 48.1 175.8 -70.7 125.8 11.2 19.6 26.4 62 90 A D + 0 0 108 -2,-0.3 5,-0.1 6,-0.1 -3,-0.0 -0.992 10.4 147.8-136.1 122.6 12.5 20.0 22.8 63 91 A H > - 0 0 38 3,-0.4 3,-1.5 -2,-0.4 53,-0.0 -0.969 50.0-122.8-152.9 139.7 12.4 17.2 20.1 64 92 A P T 3 S+ 0 0 68 0, 0.0 81,-0.1 0, 0.0 52,-0.1 0.559 111.3 45.8 -64.0 -6.8 11.9 17.4 16.2 65 93 A N T 3 S+ 0 0 10 82,-0.1 83,-2.3 2,-0.1 2,-0.3 0.315 101.4 72.9-118.2 7.0 8.8 15.0 16.4 66 94 A I B < S-f 148 0C 15 -3,-1.5 -3,-0.4 81,-0.3 2,-0.3 -0.943 87.8-104.9-122.7 143.5 6.8 16.6 19.3 67 95 A M - 0 0 53 81,-2.3 2,-0.4 -2,-0.3 84,-0.1 -0.516 38.6-124.6 -66.6 124.8 4.8 19.9 19.4 68 96 A K - 0 0 39 -2,-0.3 16,-2.1 -4,-0.1 2,-0.5 -0.623 17.4-145.7 -76.4 125.2 6.8 22.5 21.3 69 97 A L E +D 83 0A 28 -11,-0.5 14,-0.3 -2,-0.4 3,-0.1 -0.823 18.6 179.7 -91.7 122.6 4.9 24.0 24.2 70 98 A Y E - 0 0 73 12,-2.5 2,-0.3 -2,-0.5 13,-0.2 0.909 56.5 -17.2 -91.0 -54.1 5.8 27.7 24.7 71 99 A E E -D 82 0A 16 11,-1.6 11,-3.0 2,-0.0 2,-0.4 -0.984 49.3-138.8-154.2 161.3 3.6 28.9 27.7 72 100 A F E -D 81 0A 43 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 16.3-175.5-127.4 140.5 0.5 28.2 29.9 73 101 A F E -D 80 0A 28 7,-2.6 7,-3.4 -2,-0.4 2,-0.3 -0.950 1.7-170.4-133.4 149.5 -2.2 30.6 31.2 74 102 A E E +D 79 0A 73 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 10.2 162.1-148.6 134.2 -5.2 30.1 33.6 75 103 A D - 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0 0 33 -54,-0.5 2,-0.4 -2,-0.1 -1,-0.1 -0.738 16.6-153.2 -91.6 137.0 1.5 26.1 14.9 86 114 A Y - 0 0 26 -2,-0.3 3,-0.2 1,-0.1 53,-0.2 -0.956 13.0-171.6-117.4 132.6 1.8 23.5 12.1 87 115 A T + 0 0 94 51,-1.8 52,-0.3 -2,-0.4 51,-0.2 0.514 68.9 81.8-100.2 -12.0 0.6 24.1 8.5 88 116 A G S S- 0 0 7 49,-1.4 50,-0.2 1,-0.2 51,-0.1 0.554 81.8-150.0 -73.2 -11.6 1.0 20.6 6.9 89 117 A G - 0 0 32 48,-0.5 48,-3.0 -3,-0.2 2,-0.3 -0.212 48.3 -8.4 72.7-164.0 -2.3 19.3 8.3 90 118 A E B >> -G 136 0C 45 46,-0.2 4,-1.0 1,-0.1 3,-0.6 -0.521 57.5-139.4 -72.2 129.2 -3.1 15.6 9.2 91 119 A L H 3> S+ 0 0 1 44,-2.3 4,-1.7 41,-0.4 3,-0.5 0.847 102.0 55.5 -53.3 -44.4 -0.5 13.1 8.1 92 120 A F H 3> S+ 0 0 11 43,-0.3 4,-2.4 40,-0.3 -1,-0.2 0.818 101.1 57.9 -62.8 -33.6 -3.1 10.5 7.0 93 121 A D H <> S+ 0 0 60 -3,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.834 108.5 46.7 -65.6 -32.9 -4.7 13.1 4.6 94 122 A E H X S+ 0 0 65 -4,-1.0 4,-1.0 -3,-0.5 -2,-0.2 0.891 111.8 50.8 -73.4 -41.8 -1.3 13.4 2.8 95 123 A I H >< S+ 0 0 16 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.926 110.6 47.9 -60.6 -51.1 -0.8 9.5 2.7 96 124 A I H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.882 109.6 54.5 -57.4 -42.2 -4.3 9.0 1.1 97 125 A S H 3< S+ 0 0 77 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.709 91.8 97.5 -65.4 -26.7 -3.5 11.8 -1.4 98 126 A R S << S- 0 0 81 -4,-1.0 3,-0.1 -3,-0.8 -3,-0.0 -0.141 71.8-138.3 -63.6 160.0 -0.3 10.0 -2.5 99 127 A K S S+ 0 0 195 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.753 87.4 21.0 -90.5 -30.2 -0.0 7.7 -5.7 100 128 A R - 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0 0 4 0, 0.0 -9,-0.1 0, 0.0 -31,-0.1 -0.383 20.8-133.6 -66.1 141.9 -7.8 -1.5 11.6 204 232 A P S S+ 0 0 10 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.721 98.6 49.2 -68.6 -20.4 -6.8 -4.7 13.5 205 233 A F S S- 0 0 0 -34,-0.2 2,-0.2 17,-0.1 8,-0.1 -0.979 81.5-177.2-122.7 109.6 -9.9 -4.4 15.7 206 234 A N + 0 0 26 -2,-0.5 10,-0.3 6,-0.1 2,-0.2 -0.551 13.9 145.2-105.4 171.4 -13.0 -3.8 13.7 207 235 A G - 0 0 9 -2,-0.2 6,-0.1 8,-0.1 284,-0.1 -0.697 51.3-117.5 162.1 147.7 -16.7 -3.1 14.5 208 236 A A S S+ 0 0 10 -2,-0.2 2,-0.3 282,-0.1 283,-0.2 0.618 100.1 22.6 -73.2 -16.8 -19.8 -1.2 13.2 209 237 A N S > S- 0 0 53 281,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.934 90.2 -94.9-146.6 167.0 -19.9 0.8 16.5 210 238 A E H > S+ 0 0 89 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.866 121.7 49.0 -48.4 -52.2 -17.7 1.9 19.5 211 239 A Y H > S+ 0 0 156 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 110.7 50.3 -57.2 -48.3 -18.7 -1.0 21.8 212 240 A D H > S+ 0 0 38 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.839 114.0 45.5 -59.2 -37.1 -18.0 -3.6 19.0 213 241 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 112.9 49.7 -72.5 -46.2 -14.5 -2.1 18.4 214 242 A L H X S+ 0 0 39 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.834 108.2 53.8 -62.2 -36.3 -13.8 -1.9 22.2 215 243 A K H X S+ 0 0 49 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.914 111.3 45.1 -63.6 -44.2 -14.8 -5.6 22.7 216 244 A K H X S+ 0 0 74 -4,-1.4 4,-1.4 -10,-0.3 5,-0.4 0.906 113.9 49.5 -64.6 -43.8 -12.3 -6.6 19.9 217 245 A V H < S+ 0 0 0 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.913 111.3 50.9 -57.8 -47.9 -9.6 -4.3 21.4 218 246 A E H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.850 108.2 49.6 -59.5 -44.5 -10.3 -5.9 24.9 219 247 A K H < S- 0 0 93 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.766 95.8-150.4 -68.7 -26.9 -10.0 -9.5 23.6 220 248 A G < + 0 0 10 -4,-1.4 2,-0.4 -3,-0.2 -3,-0.1 0.432 44.9 137.4 71.7 5.2 -6.7 -8.5 22.0 221 249 A K + 0 0 175 -5,-0.4 2,-0.3 25,-0.0 -1,-0.2 -0.709 19.7 157.2 -91.4 132.4 -6.9 -11.0 19.1 222 250 A Y - 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0 0 74 -2,-0.3 3,-1.3 -55,-0.0 4,-0.2 -0.531 57.8 -58.1-135.9-160.6 -33.9 -13.9 -4.9 453 212 B E T > S+ 0 0 73 1,-0.2 3,-1.4 -2,-0.2 4,-0.4 0.665 116.2 78.4 -62.6 -23.3 -32.0 -11.8 -7.5 454 213 B K T 3> S+ 0 0 42 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.637 77.6 74.8 -63.4 -16.0 -31.5 -8.9 -5.0 455 214 B C H <> S+ 0 0 3 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.773 89.6 56.3 -67.2 -31.0 -28.7 -10.9 -3.3 456 215 B D H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.759 100.8 58.2 -71.9 -28.9 -26.3 -10.0 -6.3 457 216 B V H > S+ 0 0 0 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.888 104.5 51.1 -66.2 -43.0 -26.9 -6.3 -5.7 458 217 B W H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.932 109.7 49.9 -57.7 -50.7 -25.6 -6.7 -2.0 459 218 B S H X S+ 0 0 4 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.873 110.1 50.4 -56.5 -43.1 -22.4 -8.5 -3.4 460 219 B T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.861 109.6 51.9 -62.5 -40.8 -21.9 -5.6 -5.9 461 220 B G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.863 109.4 48.0 -63.0 -41.2 -22.2 -3.1 -3.0 462 221 B V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.890 111.1 52.1 -67.4 -40.5 -19.6 -5.0 -1.0 463 222 B I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.942 111.7 46.4 -60.0 -48.7 -17.3 -5.0 -4.1 464 223 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.898 110.7 52.4 -58.8 -47.7 -17.8 -1.1 -4.5 465 224 B Y H X S+ 0 0 7 -4,-2.3 4,-1.7 1,-0.2 6,-0.4 0.892 112.0 45.3 -54.1 -48.8 -17.1 -0.6 -0.7 466 225 B I H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.835 110.3 55.2 -67.6 -35.5 -13.8 -2.6 -0.9 467 226 B L H < S+ 0 0 0 -4,-2.0 -97,-2.9 1,-0.2 -2,-0.2 0.863 114.3 39.7 -66.1 -36.6 -12.8 -0.7 -4.1 468 227 B L H < S+ 0 0 6 -4,-1.9 -2,-0.2 -99,-0.2 -1,-0.2 0.733 133.5 20.6 -85.6 -26.7 -13.2 2.7 -2.4 469 228 B S H < S- 0 0 0 -4,-1.7 -3,-0.2 2,-0.2 -2,-0.2 0.664 87.6-130.8-113.7 -27.9 -11.7 1.8 1.0 470 229 B G S < S+ 0 0 20 -4,-2.3 -4,-0.2 -5,-0.3 -3,-0.1 0.491 79.8 98.1 82.6 6.1 -9.5 -1.3 0.4 471 230 B a S S- 0 0 2 -6,-0.4 -1,-0.3 -270,-0.1 -2,-0.2 -0.962 77.5-116.3-125.5 143.8 -11.4 -2.8 3.5 472 231 B P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.454 17.0-137.2 -76.8 148.4 -14.3 -5.2 3.7 473 232 B P S S+ 0 0 15 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.901 96.4 42.6 -69.9 -37.8 -17.5 -3.8 5.5 474 233 B F S S- 0 0 1 -34,-0.3 2,-0.3 17,-0.1 12,-0.1 -0.953 80.7-173.8-114.0 112.7 -18.1 -7.1 7.4 475 234 B N + 0 0 14 -2,-0.5 2,-0.3 -3,-0.1 10,-0.1 -0.790 10.1 159.1-110.3 153.3 -14.8 -8.5 8.9 476 235 B G - 0 0 18 -2,-0.3 6,-0.1 1,-0.1 -36,-0.0 -0.972 45.6-121.7-167.6 157.3 -14.1 -11.8 10.8 477 236 B A S S+ 0 0 58 -2,-0.3 2,-0.2 -252,-0.0 -1,-0.1 0.756 97.2 3.5 -72.4 -31.3 -11.3 -14.2 11.8 478 237 B N S > S- 0 0 63 -3,-0.1 4,-1.8 -42,-0.0 5,-0.2 -0.780 92.6 -80.7-142.4-176.5 -13.0 -17.2 10.1 479 238 B E H > S+ 0 0 57 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.922 126.3 48.9 -59.4 -50.1 -16.1 -18.1 7.9 480 239 B Y H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 110.3 52.4 -56.9 -42.8 -18.6 -18.2 10.9 481 240 B D H > S+ 0 0 62 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.880 110.3 46.2 -62.8 -44.1 -17.2 -14.8 12.3 482 241 B I H >X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.7 0.932 111.8 52.5 -64.3 -47.3 -17.7 -13.0 8.9 483 242 B L H 3X S+ 0 0 34 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.839 105.3 53.8 -58.1 -40.4 -21.3 -14.5 8.5 484 243 B K H 3X S+ 0 0 82 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.783 109.8 48.3 -66.8 -28.8 -22.4 -13.3 12.0 485 244 B K H > S- 0 0 21 -2,-1.4 3,-1.5 1,-0.1 4,-0.5 -0.963 80.6-115.2-132.2 148.5 -12.3 5.1 8.4 496 255 B P G >4 S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.830 114.2 55.8 -53.3 -37.5 -9.6 7.7 7.3 497 256 B Q G 34 S+ 0 0 13 1,-0.2 3,-0.2 -296,-0.2 4,-0.1 0.667 100.0 60.1 -70.3 -19.6 -10.0 6.7 3.6 498 257 B W G X4 S+ 0 0 1 -3,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.607 83.9 83.2 -82.6 -14.2 -13.8 7.4 3.6 499 258 B K T << S+ 0 0 117 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.927 97.2 36.7 -54.6 -53.3 -13.3 11.1 4.6 500 259 B K T 3 S+ 0 0 154 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.428 92.4 113.8 -83.6 0.3 -12.6 12.3 1.0 501 260 B V S < S- 0 0 15 -3,-0.8 -3,-0.0 -4,-0.1 5,-0.0 -0.591 74.8-110.7 -76.3 130.2 -15.3 9.9 -0.5 502 261 B S > - 0 0 31 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.211 15.6-124.8 -59.3 147.9 -18.3 11.8 -2.1 503 262 B E H > S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.750 111.2 59.1 -66.1 -26.6 -21.7 11.5 -0.3 504 263 B S H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.904 104.1 49.5 -67.6 -45.1 -23.2 10.2 -3.6 505 264 B A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.895 113.7 47.5 -59.0 -42.2 -20.8 7.2 -3.7 506 265 B K H X S+ 0 0 21 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.779 108.9 54.8 -68.7 -32.7 -21.8 6.5 -0.1 507 266 B D H X S+ 0 0 65 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.879 107.1 48.5 -70.2 -41.5 -25.5 6.9 -0.9 508 267 B L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 112.4 49.8 -65.3 -39.2 -25.3 4.2 -3.7 509 268 B I H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.909 108.6 54.1 -62.8 -44.1 -23.4 1.9 -1.2 510 269 B R H < S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 109.9 46.6 -59.7 -35.7 -26.2 2.5 1.4 511 270 B K H >< S+ 0 0 75 -4,-1.4 3,-0.9 1,-0.2 10,-0.8 0.922 113.7 45.9 -74.6 -47.5 -29.0 1.5 -1.1 512 271 B M H 3< S+ 0 0 0 -4,-2.0 -51,-0.2 1,-0.3 -2,-0.2 0.741 112.1 54.9 -66.0 -27.1 -27.2 -1.8 -2.3 513 272 B L T 3< S+ 0 0 8 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 -0.251 73.5 139.5-104.8 44.7 -26.5 -2.6 1.4 514 273 B T < - 0 0 35 -3,-0.9 6,-0.2 1,-0.1 -56,-0.1 -0.788 51.0-139.8 -88.8 125.5 -30.1 -2.4 2.7 515 274 B Y S S+ 0 0 108 -2,-0.5 -1,-0.1 -26,-0.1 -70,-0.1 0.857 88.1 62.6 -54.6 -46.5 -30.7 -5.3 5.2 516 275 B V S > S- 0 0 84 1,-0.1 4,-1.1 -72,-0.1 3,-0.2 -0.739 79.3-144.6 -83.8 126.3 -34.3 -6.1 3.9 517 276 B P T 4 S+ 0 0 27 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.854 97.1 54.9 -59.6 -37.6 -34.2 -7.3 0.2 518 277 B S T 4 S+ 0 0 106 1,-0.2 -2,-0.0 0, 0.0 -4,-0.0 0.881 110.1 45.5 -62.5 -41.8 -37.6 -5.6 -0.7 519 278 B M T 4 S+ 0 0 95 -3,-0.2 -1,-0.2 2,-0.0 2,-0.1 0.667 97.9 99.2 -73.3 -21.1 -36.4 -2.1 0.5 520 279 B R S < S- 0 0 5 -4,-1.1 -8,-0.2 -3,-0.2 -9,-0.1 -0.461 81.7-107.2 -72.6 141.6 -33.0 -2.7 -1.3 521 280 B I - 0 0 35 -10,-0.8 2,-0.2 -2,-0.1 -64,-0.1 -0.104 31.8-115.1 -60.7 158.4 -32.4 -1.1 -4.8 522 281 B S > - 0 0 26 1,-0.1 4,-2.4 -65,-0.1 5,-0.1 -0.606 21.5-114.9 -95.3 160.5 -32.5 -3.2 -8.1 523 282 B A H > S+ 0 0 2 -2,-0.2 4,-0.8 2,-0.2 -136,-0.2 0.867 117.5 46.0 -61.5 -42.0 -29.4 -3.7 -10.4 524 283 B R H 4 S+ 0 0 150 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.897 114.6 47.6 -67.2 -45.0 -31.0 -1.8 -13.3 525 284 B D H >4 S+ 0 0 88 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.854 106.8 57.2 -65.1 -39.1 -32.2 1.1 -11.0 526 285 B A H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.3 6,-0.2 0.750 98.0 61.2 -64.8 -26.4 -28.7 1.3 -9.3 527 286 B L T 3< S+ 0 0 49 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.702 96.9 62.1 -72.0 -20.0 -27.2 1.9 -12.9 528 287 B D T < S+ 0 0 87 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.3 -0.273 80.5 128.6 -98.3 41.8 -29.4 5.1 -12.9 529 288 B H <> - 0 0 12 -3,-0.7 4,-3.0 1,-0.1 3,-0.3 -0.809 67.7-125.2-101.5 142.6 -27.5 6.6 -9.9 530 289 B E H > S+ 0 0 114 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.867 110.6 52.5 -47.8 -48.9 -26.1 10.1 -9.8 531 290 B W H > S+ 0 0 0 -27,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 114.0 41.6 -60.1 -44.0 -22.6 8.8 -8.8 532 291 B I H > S+ 0 0 2 -3,-0.3 4,-0.8 -6,-0.2 -2,-0.2 0.943 116.5 49.4 -68.7 -49.0 -22.5 6.3 -11.7 533 292 B Q H >< S+ 0 0 117 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.899 114.2 45.4 -55.8 -47.1 -24.0 8.8 -14.2 534 293 B T H 3< S+ 0 0 88 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 114.5 45.6 -68.7 -38.3 -21.5 11.6 -13.2 535 294 B Y H 3< 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.438 360.0 360.0 -92.0 3.2 -18.3 9.5 -13.3 536 295 B T << 0 0 117 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.754 360.0 360.0 -67.6 360.0 -18.9 7.6 -16.6