==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-12 4I92 . COMPND 2 MOLECULE: PROBABLE SERINE/THREONINE-PROTEIN KINASE AT5G4126 . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR C.GRUETTER,D.RAUH . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 9.0 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 0.7 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 . 12 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 2 1 1 1 0 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 40 A Q 0 0 125 0, 0.0 69,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 134.9 -7.5 -25.4 -0.6 2 41 A F + 0 0 36 67,-0.3 2,-0.3 64,-0.1 79,-0.2 -0.247 360.0 174.8 -48.0 131.4 -3.7 -25.5 0.1 3 42 A R E -a 81 0A 129 77,-1.6 79,-1.7 80,-0.0 2,-0.3 -0.889 31.0-112.6-141.8 167.3 -2.0 -25.9 -3.3 4 43 A E E -a 82 0A 90 -2,-0.3 2,-0.3 77,-0.2 79,-0.2 -0.793 26.1-160.7-103.7 146.9 1.4 -25.9 -4.9 5 44 A F - 0 0 11 77,-2.2 80,-0.3 -2,-0.3 79,-0.3 -0.932 19.3-117.7-121.4 148.4 2.6 -23.3 -7.4 6 45 A S > - 0 0 32 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.509 24.5-119.6 -78.7 157.2 5.4 -23.5 -9.9 7 46 A I H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.904 114.6 57.2 -65.2 -35.3 8.4 -21.1 -9.6 8 47 A E H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 104.9 50.8 -60.1 -44.2 7.5 -19.6 -13.0 9 48 A T H > S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 113.4 45.6 -56.7 -44.9 4.0 -18.7 -11.8 10 49 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 7,-0.3 0.893 110.8 51.2 -73.9 -37.7 5.5 -17.0 -8.8 11 50 A R H <>S+ 0 0 85 -4,-3.0 5,-3.1 2,-0.2 4,-0.4 0.921 112.2 48.5 -59.7 -42.1 8.2 -15.2 -10.7 12 51 A N H ><5S+ 0 0 111 -4,-2.6 3,-1.1 -5,-0.3 -2,-0.2 0.941 110.8 51.3 -62.3 -41.6 5.5 -13.9 -13.1 13 52 A A H 3<5S+ 0 0 11 -4,-2.4 25,-1.8 1,-0.2 -1,-0.2 0.788 117.7 36.8 -64.7 -31.0 3.3 -12.9 -10.1 14 53 A T T 3X5S- 0 0 0 -4,-1.7 4,-2.1 23,-0.2 -1,-0.2 0.188 111.6-110.6-109.1 13.9 6.1 -10.9 -8.5 15 54 A S T <45S- 0 0 94 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.893 85.3 -43.8 54.6 43.4 7.8 -9.4 -11.6 16 55 A G T 4< - 0 0 27 -4,-2.1 3,-1.5 -7,-0.2 4,-0.2 -0.338 19.8-127.5 -61.4 137.8 11.3 -7.3 -8.0 19 58 A A G > S+ 0 0 45 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.823 106.3 60.3 -60.5 -34.7 12.8 -5.4 -5.0 20 59 A E G 3 S+ 0 0 161 1,-0.3 -1,-0.3 15,-0.0 -2,-0.1 0.673 95.8 64.5 -69.7 -15.2 10.0 -2.8 -5.0 21 60 A N G < S+ 0 0 33 -3,-1.5 15,-2.9 -7,-0.2 -1,-0.3 0.505 74.0 114.9 -83.1 -1.7 7.6 -5.6 -4.3 22 61 A I B < +B 35 0A 31 -3,-1.8 13,-0.3 13,-0.2 6,-0.1 -0.525 35.1 172.0 -68.3 128.9 9.2 -6.4 -1.0 23 62 A V + 0 0 65 11,-2.9 12,-0.2 -2,-0.3 -1,-0.2 0.463 48.9 91.0-115.7 -10.8 6.7 -5.7 1.8 24 63 A S S S- 0 0 17 10,-1.2 3,-0.3 3,-0.1 9,-0.1 -0.251 79.8-119.2 -76.9-178.8 8.6 -7.0 4.7 25 64 A E S S+ 0 0 50 1,-0.2 8,-0.1 7,-0.1 -1,-0.1 0.422 93.9 64.9-112.2 -1.6 10.9 -4.9 6.8 26 65 A H S S- 0 0 87 6,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.181 92.6-126.7-112.1 12.6 14.4 -6.3 6.5 27 66 A G > - 0 0 33 -3,-0.3 3,-0.5 1,-0.2 -1,-0.3 -0.231 47.8 -44.3 73.7-159.6 15.1 -5.8 2.8 28 67 A E T 3 S+ 0 0 108 1,-0.2 -1,-0.2 5,-0.1 5,-0.1 0.730 126.7 52.1 -84.0 -25.8 16.3 -8.3 0.2 29 68 A R T 3 S+ 0 0 217 -3,-0.3 -1,-0.2 3,-0.1 -2,-0.1 0.274 84.7 109.1-100.9 12.1 19.0 -10.2 2.1 30 69 A A S < S- 0 0 12 -3,-0.5 3,-0.1 2,-0.2 -3,-0.0 -0.336 78.8-113.8 -90.7 166.9 17.2 -11.2 5.3 31 70 A P S S+ 0 0 47 0, 0.0 2,-0.6 0, 0.0 20,-0.4 0.808 112.2 50.1 -62.5 -26.5 16.0 -14.6 6.6 32 71 A N + 0 0 10 18,-0.1 -6,-0.4 2,-0.0 2,-0.4 -0.951 69.5 159.1-121.4 105.0 12.4 -13.2 6.3 33 72 A V - 0 0 3 -2,-0.6 16,-2.6 16,-0.3 2,-0.4 -0.989 13.8-174.3-132.2 121.0 11.7 -11.6 2.8 34 73 A V E - C 0 48A 8 -2,-0.4 -11,-2.9 14,-0.2 -10,-1.2 -0.965 3.2-165.9-123.5 130.7 8.1 -11.2 1.6 35 74 A Y E -BC 22 47A 2 12,-2.8 12,-3.1 -2,-0.4 2,-0.3 -0.902 16.8-132.4-114.4 140.4 7.1 -10.0 -1.8 36 75 A K E + C 0 46A 86 -15,-2.9 2,-0.3 -2,-0.4 10,-0.2 -0.633 37.5 161.4 -82.4 150.7 3.7 -8.8 -3.0 37 76 A G E - C 0 45A 11 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.960 32.3-130.3-157.1 177.1 2.4 -10.3 -6.2 38 77 A K E - C 0 44A 109 -25,-1.8 6,-0.2 -2,-0.3 5,-0.1 -0.988 19.8-140.6-141.7 124.7 -0.7 -10.9 -8.3 39 78 A L > - 0 0 15 4,-2.7 3,-2.2 -2,-0.4 -29,-0.0 -0.270 34.6 -99.5 -78.8 169.1 -1.7 -14.2 -9.9 40 79 A E T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -31,-0.0 0.797 125.0 59.1 -61.2 -28.9 -3.3 -14.7 -13.4 41 80 A N T 3 S- 0 0 98 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.348 121.3-109.9 -80.0 6.6 -6.7 -14.9 -11.7 42 81 A Q S < S+ 0 0 122 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.383 70.1 146.6 77.2 2.2 -6.1 -11.4 -10.3 43 82 A R - 0 0 112 -5,-0.1 -4,-2.7 1,-0.1 2,-0.3 -0.526 45.6-134.6 -70.8 128.5 -5.7 -12.7 -6.7 44 83 A R E -C 38 0A 111 -2,-0.3 51,-1.4 -6,-0.2 2,-0.3 -0.673 30.5-176.5 -84.2 137.9 -3.2 -10.6 -4.8 45 84 A I E -CD 37 94A 0 -8,-2.7 -8,-2.2 -2,-0.3 2,-0.5 -0.889 28.2-136.2-133.0 159.1 -0.7 -12.6 -2.8 46 85 A A E -CD 36 93A 10 47,-2.7 47,-3.0 -2,-0.3 2,-0.5 -0.983 23.8-161.5-114.6 132.1 2.2 -12.3 -0.3 47 86 A V E -CD 35 92A 0 -12,-3.1 -12,-2.8 -2,-0.5 2,-0.6 -0.951 7.1-157.0-120.3 114.0 5.1 -14.6 -1.1 48 87 A K E -CD 34 91A 5 43,-2.7 43,-2.1 -2,-0.5 2,-0.7 -0.819 12.0-157.8 -88.9 121.6 7.7 -15.4 1.5 49 88 A R E - D 0 90A 75 -16,-2.6 -16,-0.3 -2,-0.6 41,-0.2 -0.890 9.6-146.3-102.8 109.8 10.9 -16.4 -0.2 50 89 A F - 0 0 7 39,-2.5 39,-0.4 -2,-0.7 -18,-0.1 -0.420 24.0-100.1 -77.2 152.9 13.1 -18.5 2.0 51 90 A N >> - 0 0 65 -20,-0.4 3,-1.9 115,-0.3 4,-0.5 -0.296 46.8 -90.2 -63.4 147.9 16.9 -18.2 1.9 52 91 A R T 34 S+ 0 0 91 1,-0.2 -1,-0.1 2,-0.1 36,-0.1 -0.350 115.2 17.6 -53.4 139.5 18.8 -20.9 -0.0 53 92 A K T 34 S+ 0 0 90 34,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.463 94.9 106.9 74.4 1.1 19.7 -23.8 2.4 54 93 A S T <4 S+ 0 0 9 -3,-1.9 114,-2.4 1,-0.2 115,-0.5 0.912 99.3 10.7 -74.1 -43.6 17.1 -22.7 5.0 55 94 A W S < S+ 0 0 15 -4,-0.5 -1,-0.2 112,-0.2 6,-0.2 -0.597 79.3 162.9-131.4 67.4 14.8 -25.6 4.3 56 95 A P + 0 0 92 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.788 56.9 73.5 -68.3 -26.7 16.9 -27.8 2.0 57 96 A D > - 0 0 63 1,-0.2 4,-2.3 -3,-0.1 3,-0.3 -0.760 67.7-162.1 -89.5 105.0 14.8 -31.0 2.4 58 97 A S H > S+ 0 0 46 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.793 87.4 59.2 -61.4 -27.1 11.7 -30.3 0.3 59 98 A R H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 109.3 44.1 -64.4 -43.8 9.8 -33.1 2.0 60 99 A Q H > S+ 0 0 48 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.911 113.5 51.0 -67.6 -41.2 10.3 -31.4 5.3 61 100 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.936 112.2 46.6 -57.3 -51.6 9.4 -28.0 3.9 62 101 A L H X S+ 0 0 27 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.883 108.8 54.3 -61.4 -41.9 6.2 -29.3 2.3 63 102 A E H X S+ 0 0 125 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.923 113.6 43.0 -57.8 -46.5 5.1 -31.1 5.5 64 103 A E H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.935 115.5 47.9 -63.7 -49.0 5.5 -27.9 7.5 65 104 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.925 111.6 49.7 -61.6 -42.6 3.9 -25.8 4.9 66 105 A K H X S+ 0 0 95 -4,-3.0 4,-0.6 2,-0.2 -1,-0.2 0.893 109.4 52.8 -64.2 -38.0 1.0 -28.1 4.4 67 106 A A H >< S+ 0 0 34 -4,-1.9 3,-1.2 -5,-0.2 4,-0.4 0.950 112.3 43.8 -62.6 -47.7 0.5 -28.2 8.2 68 107 A V H >< S+ 0 0 3 -4,-2.6 3,-1.8 1,-0.2 11,-0.3 0.894 107.7 63.2 -62.0 -37.2 0.3 -24.4 8.3 69 108 A G H 3< S+ 0 0 4 -4,-2.8 -67,-0.3 1,-0.3 -1,-0.2 0.617 88.9 67.5 -62.8 -16.1 -1.9 -24.6 5.2 70 109 A Q T << S+ 0 0 116 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.3 0.668 82.2 94.6 -76.9 -17.7 -4.6 -26.5 7.2 71 110 A L < + 0 0 5 -3,-1.8 8,-0.4 -4,-0.4 2,-0.3 -0.570 47.2 168.9 -80.2 133.9 -5.3 -23.4 9.2 72 111 A R + 0 0 98 -2,-0.3 2,-0.3 6,-0.1 5,-0.0 -0.910 13.0 143.6-147.2 116.0 -8.1 -21.1 8.0 73 112 A N > - 0 0 41 -2,-0.3 3,-1.9 3,-0.1 5,-0.1 -0.989 53.1-123.9-159.1 144.7 -9.3 -18.3 10.2 74 113 A H T 3 S+ 0 0 151 -2,-0.3 54,-0.1 1,-0.3 -1,-0.1 0.683 110.6 56.0 -67.4 -20.9 -10.6 -14.7 9.9 75 114 A R T 3 S+ 0 0 69 52,-0.1 83,-2.6 82,-0.1 2,-0.3 0.373 101.3 75.0 -88.9 3.1 -8.0 -13.3 12.3 76 115 A M E < S-f 158 0B 1 -3,-1.9 2,-0.9 81,-0.3 83,-0.2 -0.854 79.9-128.6-113.0 149.7 -5.1 -14.8 10.2 77 116 A A E -f 159 0B 2 81,-2.6 83,-1.5 -2,-0.3 84,-0.1 -0.899 54.0-135.0 -85.4 105.4 -3.6 -13.9 6.9 78 117 A N - 0 0 9 -2,-0.9 16,-2.2 -5,-0.1 2,-0.5 -0.287 1.0-114.7 -79.7 151.5 -4.0 -17.4 5.7 79 118 A L E + E 0 93A 2 -8,-0.4 14,-0.3 -11,-0.3 -1,-0.1 -0.725 29.4 178.5 -84.6 121.5 -1.6 -19.7 3.9 80 119 A L E - 0 0 17 12,-2.5 -77,-1.6 -2,-0.5 2,-0.3 0.671 56.4 -50.0 -94.3 -26.4 -2.8 -20.5 0.3 81 120 A G E -aE 3 92A 0 11,-2.0 11,-2.5 -79,-0.2 2,-0.3 -0.981 46.5-117.6 177.6-166.1 0.1 -22.6 -0.8 82 121 A C E -aE 4 91A 0 -79,-1.7 -77,-2.2 -2,-0.3 2,-0.3 -0.930 8.3-143.4-152.0 169.4 3.8 -23.2 -1.4 83 122 A C E + E 0 90A 0 7,-1.9 7,-2.7 -2,-0.3 -77,-0.1 -0.977 19.0 166.9-140.7 134.8 6.4 -23.7 -4.0 84 123 A Y + 0 0 69 -2,-0.3 3,-0.5 -79,-0.3 2,-0.2 0.072 34.8 131.1-134.5 27.6 9.5 -26.0 -3.8 85 124 A E S > S+ 0 0 88 -80,-0.3 3,-2.2 1,-0.2 -2,-0.0 -0.484 71.7 2.9 -78.1 147.4 10.7 -26.1 -7.4 86 125 A D T 3 S- 0 0 113 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 0.847 130.0 -55.1 48.6 50.2 14.3 -25.5 -8.4 87 126 A E T 3 S+ 0 0 149 -3,-0.5 -1,-0.3 1,-0.2 -34,-0.3 0.342 107.0 127.7 65.8 -3.6 15.8 -25.1 -4.9 88 127 A E < - 0 0 32 -3,-2.2 2,-0.4 -36,-0.1 -1,-0.2 -0.507 42.2-164.2 -78.6 150.8 13.3 -22.3 -4.1 89 128 A R + 0 0 16 -39,-0.4 -39,-2.5 -2,-0.2 2,-0.3 -0.911 20.1 170.3-136.9 107.8 11.2 -22.6 -0.9 90 129 A L E -DE 49 83A 0 -7,-2.7 -7,-1.9 -2,-0.4 2,-0.4 -0.933 26.2-155.3-126.1 143.3 8.2 -20.2 -1.0 91 130 A L E -DE 48 82A 2 -43,-2.1 -43,-2.7 -2,-0.3 2,-0.5 -0.966 14.2-156.8-111.8 135.2 5.1 -19.7 1.1 92 131 A I E +DE 47 81A 0 -11,-2.5 -12,-2.5 -2,-0.4 -11,-2.0 -0.962 20.6 167.4-117.9 121.6 2.2 -18.0 -0.5 93 132 A A E -DE 46 79A 2 -47,-3.0 -47,-2.7 -2,-0.5 -14,-0.2 -0.787 43.9 -72.1-125.9 169.6 -0.4 -16.2 1.7 94 133 A E E -D 45 0A 44 -16,-2.2 2,-0.2 -2,-0.3 -49,-0.2 -0.396 54.5-116.6 -58.7 131.9 -3.4 -13.8 1.4 95 134 A F - 0 0 35 -51,-1.4 57,-0.2 -2,-0.1 -51,-0.1 -0.554 19.5-150.1 -75.6 136.9 -2.2 -10.3 0.5 96 135 A M > - 0 0 17 -2,-0.2 3,-1.0 1,-0.1 54,-0.2 -0.912 9.1-169.0-110.6 104.6 -2.9 -7.7 3.2 97 136 A P T 3 S+ 0 0 34 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.604 75.0 64.6 -77.8 -10.0 -3.4 -4.4 1.5 98 137 A N T 3 S- 0 0 29 52,-2.5 53,-0.1 1,-0.3 54,-0.0 0.089 95.6-134.9-104.9 26.0 -3.3 -2.1 4.5 99 138 A E < - 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0 0 118 -2,-0.5 3,-2.4 1,-0.1 4,-0.4 -0.346 26.3-116.5 -57.5 142.4 16.6 -8.9 19.1 177 216 A L G > S+ 0 0 124 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.731 110.7 72.2 -59.2 -24.8 17.4 -10.6 22.4 178 217 A A G 3 S+ 0 0 52 1,-0.2 37,-0.4 36,-0.0 -1,-0.3 0.730 106.2 39.0 -56.5 -25.6 15.9 -7.7 24.4 179 218 A F G < S+ 0 0 17 -3,-2.4 -1,-0.2 34,-0.1 -2,-0.2 0.439 93.3 100.5-107.5 -4.1 12.5 -8.9 23.2 180 219 A T S < S- 0 0 17 -3,-0.9 5,-0.1 -4,-0.4 14,-0.0 -0.548 81.4-101.3 -87.7 146.8 12.9 -12.7 23.4 181 220 A P >> - 0 0 9 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.370 31.7-113.8 -68.1 155.3 11.5 -14.6 26.3 182 221 A P H 3> S+ 0 0 35 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.815 113.8 62.1 -59.4 -32.3 14.0 -15.5 29.0 183 222 A E H 3> S+ 0 0 8 1,-0.2 4,-2.3 73,-0.2 6,-0.5 0.770 99.3 56.2 -65.4 -27.9 13.5 -19.3 28.3 184 223 A Y H <> S+ 0 0 40 -3,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.897 104.8 51.4 -65.9 -45.1 14.8 -18.8 24.7 185 224 A L H < S+ 0 0 78 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.944 115.4 42.8 -58.9 -45.5 18.0 -17.3 26.0 186 225 A R H < S+ 0 0 135 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.904 134.7 13.4 -64.0 -43.2 18.5 -20.3 28.3 187 226 A T H < S- 0 0 77 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.552 83.2-128.7-118.2 -16.7 17.5 -23.0 25.7 188 227 A G S < S+ 0 0 32 -4,-3.0 2,-0.3 -5,-0.3 -4,-0.2 0.529 73.9 117.6 71.8 7.0 17.4 -21.6 22.2 189 228 A R - 0 0 185 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.2 -0.793 60.1-138.0-114.1 146.3 13.9 -23.2 22.0 190 229 A V - 0 0 40 -2,-0.3 -51,-0.1 -3,-0.1 -49,-0.1 -0.846 23.1-175.8 -97.7 133.9 10.4 -21.7 21.4 191 230 A T >> - 0 0 44 -2,-0.4 3,-1.0 -51,-0.1 4,-0.9 -0.771 43.2 -98.1-120.8 170.4 7.5 -23.0 23.5 192 231 A P H >> S+ 0 0 57 0, 0.0 4,-0.7 0, 0.0 3,-0.6 0.893 126.4 52.4 -55.2 -38.0 3.7 -22.2 23.4 193 232 A E H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.722 95.3 71.7 -70.9 -22.1 4.2 -19.9 26.4 194 233 A S H <> S+ 0 0 4 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.897 94.4 52.4 -58.3 -44.3 7.0 -18.1 24.4 195 234 A V H > - 0 0 51 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.357 22.4-128.7 -56.0 130.9 12.5 -3.0 25.5 214 253 A P H 3> S+ 0 0 1 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.851 105.5 59.3 -49.4 -41.6 10.7 -5.1 28.1 215 254 A S H 3> S+ 0 0 82 -37,-0.4 4,-1.5 1,-0.2 5,-0.1 0.935 111.0 41.8 -55.8 -46.1 13.5 -4.6 30.7 216 255 A H H <> S+ 0 0 90 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.937 115.4 48.9 -67.7 -45.7 13.0 -0.9 30.5 217 256 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.911 108.5 54.4 -58.8 -41.7 9.2 -1.1 30.5 218 257 A L H X S+ 0 0 58 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.852 105.7 53.0 -65.9 -31.4 9.2 -3.4 33.4 219 258 A D H X S+ 0 0 77 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.928 110.8 46.6 -63.2 -48.7 11.2 -0.9 35.4 220 259 A L H <>S+ 0 0 16 -4,-1.9 5,-2.9 2,-0.2 4,-0.3 0.894 112.9 50.1 -59.7 -41.8 8.6 1.8 34.6 221 260 A I H ><5S+ 0 0 10 -4,-2.7 3,-1.5 3,-0.2 -2,-0.2 0.919 106.8 53.6 -65.5 -42.4 5.8 -0.6 35.6 222 261 A R H 3<5S+ 0 0 184 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.885 112.7 45.4 -56.6 -39.3 7.5 -1.5 38.9 223 262 A D T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.471 110.0-126.7 -79.6 -4.4 7.6 2.2 39.6 224 263 A R T < 5 + 0 0 185 -3,-1.5 2,-1.7 -4,-0.3 3,-0.3 0.862 53.4 158.6 53.6 36.7 4.0 2.6 38.4 225 264 A N >>< + 0 0 62 -5,-2.9 4,-1.7 1,-0.2 3,-0.6 -0.486 1.4 159.0 -87.7 67.2 5.3 5.3 36.1 226 265 A I H 3> + 0 0 49 -2,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.841 66.5 59.1 -62.5 -35.3 2.3 5.0 33.8 227 266 A Q H 34 S+ 0 0 166 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.840 108.7 43.7 -66.7 -30.3 2.9 8.5 32.3 228 267 A M H <4 S+ 0 0 123 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.822 117.5 46.9 -80.8 -30.0 6.4 7.6 31.1 229 268 A L H < S+ 0 0 5 -4,-1.7 -2,-0.2 -9,-0.1 -3,-0.2 0.942 99.2 76.5 -74.8 -48.8 5.3 4.2 29.8 230 269 A M S < S- 0 0 14 -4,-3.0 -22,-0.3 -5,-0.2 2,-0.2 -0.352 92.5 -99.3 -77.9 145.0 2.2 5.3 27.9 231 270 A D > - 0 0 28 -24,-2.8 3,-2.2 -25,-0.2 4,-0.2 -0.386 23.2-145.2 -58.7 119.3 2.2 7.0 24.5 232 271 A S G > S+ 0 0 95 1,-0.3 3,-1.5 -24,-0.2 -1,-0.2 0.789 97.4 69.2 -57.1 -26.8 1.6 10.7 25.1 233 272 A G G 3 S+ 0 0 29 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.547 90.0 62.0 -70.0 -8.5 -0.3 10.7 21.8 234 273 A L G X S+ 0 0 0 -3,-2.2 3,-2.5 -27,-0.1 4,-0.3 0.426 72.5 143.2 -91.1 -2.6 -3.1 8.7 23.6 235 274 A E T < S+ 0 0 159 -3,-1.5 -3,-0.0 1,-0.3 -4,-0.0 -0.101 72.9 7.9 -50.3 123.6 -3.8 11.4 26.1 236 275 A G T 3 S+ 0 0 83 2,-0.3 -1,-0.3 1,-0.0 3,-0.1 0.457 104.7 95.2 88.6 1.3 -7.6 11.6 26.8 237 276 A Q S < S+ 0 0 76 -3,-2.5 2,-0.3 1,-0.1 -2,-0.1 0.549 83.9 38.5 -98.0 -9.4 -8.5 8.5 24.9 238 277 A F S S- 0 0 53 -4,-0.3 -2,-0.3 -123,-0.0 2,-0.2 -0.985 75.8-116.0-145.8 150.0 -8.5 6.0 27.8 239 278 A S > - 0 0 53 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 -0.533 31.2-120.4 -80.5 147.7 -9.4 5.7 31.5 240 279 A S H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.897 116.0 57.1 -54.4 -39.7 -6.5 5.2 34.0 241 280 A D H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 109.9 42.1 -55.8 -46.7 -8.3 2.0 35.0 242 281 A D H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 114.6 49.9 -74.1 -41.1 -8.3 0.6 31.4 243 282 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.957 114.9 45.8 -56.0 -51.1 -4.7 1.7 30.7 244 283 A T H X S+ 0 0 48 -4,-3.0 4,-2.5 -5,-0.3 -2,-0.2 0.873 108.3 55.7 -60.9 -40.3 -3.7 0.1 34.0 245 284 A E H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.895 110.3 46.2 -58.8 -43.7 -5.7 -3.1 33.1 246 285 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.890 111.0 51.4 -68.8 -39.1 -3.8 -3.5 29.9 247 286 A I H X S+ 0 0 15 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.895 108.6 52.9 -59.6 -43.1 -0.4 -2.8 31.6 248 287 A R H X S+ 0 0 160 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.873 108.3 50.0 -61.8 -35.7 -1.4 -5.5 34.1 249 288 A L H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.927 109.5 51.0 -69.4 -41.8 -2.1 -7.9 31.2 250 289 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.922 107.6 53.7 -58.1 -45.6 1.3 -7.1 29.7 251 290 A S H < S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.880 108.1 50.0 -59.0 -37.8 3.0 -7.8 33.1 252 291 A R H >< S+ 0 0 110 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.929 111.0 49.4 -64.8 -43.6 1.3 -11.2 33.2 253 292 A C H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.814 110.0 51.2 -64.4 -31.0 2.5 -12.0 29.7 254 293 A L T 3< S+ 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.325 78.2 137.1 -95.2 8.0 6.1 -10.9 30.5 255 294 A Q < - 0 0 74 -3,-1.3 6,-0.1 -4,-0.2 -3,-0.1 -0.251 58.4-131.9 -54.0 136.9 6.4 -13.1 33.6 256 295 A Y S S+ 0 0 117 -74,-0.1 -73,-0.2 -75,-0.1 -1,-0.1 0.917 93.7 71.1 -53.4 -50.2 9.7 -14.9 33.9 257 296 A E S >> S- 0 0 90 1,-0.2 3,-1.8 -75,-0.1 4,-0.6 -0.628 76.1-150.4 -76.7 115.6 8.0 -18.2 34.6 258 297 A P G >4 S+ 0 0 23 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.852 93.5 60.3 -56.4 -34.7 6.3 -19.5 31.5 259 298 A R G 34 S+ 0 0 102 1,-0.3 4,-0.1 -3,-0.0 -2,-0.0 0.707 99.3 58.0 -67.6 -18.5 3.5 -21.3 33.4 260 299 A E G <4 S+ 0 0 107 -3,-1.8 -1,-0.3 2,-0.1 3,-0.1 0.668 84.3 99.3 -84.7 -16.4 2.4 -18.0 35.0 261 300 A R S << S- 0 0 14 -3,-1.2 -8,-0.2 -4,-0.6 -9,-0.1 -0.327 85.3 -96.2 -68.8 154.4 1.7 -16.3 31.7 262 301 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.295 32.8-122.5 -66.9 151.3 -2.0 -16.2 30.5 263 302 A N > - 0 0 89 1,-0.1 4,-1.8 -3,-0.1 3,-0.5 -0.476 35.8 -99.6 -82.2 166.9 -3.3 -18.8 28.1 264 303 A P H > S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -134,-0.2 0.889 123.3 54.6 -56.8 -38.2 -4.7 -17.4 24.9 265 304 A K H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 106.9 52.4 -62.7 -35.1 -8.3 -17.7 26.1 266 305 A S H > S+ 0 0 36 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.864 106.6 53.1 -69.8 -35.6 -7.4 -15.6 29.2 267 306 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.935 110.1 47.7 -60.7 -45.5 -5.9 -12.9 26.9 268 307 A V H X S+ 0 0 18 -4,-2.2 4,-1.1 1,-0.2 3,-0.4 0.954 112.8 47.9 -61.8 -47.7 -9.1 -12.7 24.9 269 308 A S H >< S+ 0 0 70 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.900 110.9 51.2 -63.2 -39.8 -11.3 -12.6 28.0 270 309 A A H 3< S+ 0 0 30 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.799 107.9 53.8 -66.3 -30.8 -9.1 -9.9 29.6 271 310 A M H >X S+ 0 0 0 -4,-1.6 3,-1.1 -3,-0.4 4,-0.5 0.744 89.4 78.6 -76.5 -25.2 -9.3 -7.7 26.5 272 311 A I G X< S+ 0 0 103 -4,-1.1 3,-1.6 -3,-0.5 -1,-0.2 0.908 91.5 47.1 -56.9 -51.1 -13.1 -7.6 26.2 273 312 A P G 34 S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.670 107.9 59.2 -68.1 -13.4 -14.0 -5.0 28.8 274 313 A L G <4 S+ 0 0 2 -3,-1.1 -2,-0.2 -4,-0.3 -155,-0.1 0.544 78.5 116.1 -87.8 -11.6 -11.3 -2.7 27.4 275 314 A Q << - 0 0 16 -3,-1.6 2,-0.3 -4,-0.5 3,-0.1 -0.301 44.7-170.8 -64.4 147.3 -12.8 -2.5 23.9 276 315 A K + 0 0 77 -160,-0.3 -156,-0.1 1,-0.1 4,-0.1 -0.965 57.2 15.3-139.9 147.4 -13.9 0.9 22.8 277 316 A D > + 0 0 78 -2,-0.3 3,-2.0 1,-0.1 -1,-0.1 0.883 64.3 169.2 55.6 43.0 -15.9 2.3 19.8 278 317 A L T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.791 71.3 58.1 -54.8 -30.6 -17.2 -1.2 18.8 279 318 A E T 3 S+ 0 0 158 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.582 86.5 95.6 -80.7 -9.6 -19.7 0.3 16.4 280 319 A I S < S- 0 0 37 -3,-2.0 -4,-0.1 -4,-0.1 5,-0.0 -0.731 79.6-119.9 -90.0 127.3 -16.9 2.1 14.4 281 320 A A >> - 0 0 45 -2,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.280 21.2-119.4 -58.7 141.9 -15.6 0.3 11.3 282 321 A S H 3> S+ 0 0 4 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.861 111.9 57.9 -53.1 -39.7 -11.9 -0.5 11.3 283 322 A H H 3>>S+ 0 0 76 -130,-0.5 5,-2.0 1,-0.2 4,-1.6 0.911 109.9 45.3 -63.8 -34.6 -11.1 1.6 8.2 284 323 A Q H <45S+ 0 0 122 -3,-0.5 -2,-0.2 3,-0.2 -1,-0.2 0.937 116.5 45.0 -70.0 -45.0 -12.5 4.7 10.0 285 324 A L H <5S+ 0 0 8 -4,-2.4 -171,-0.5 1,-0.2 -2,-0.2 0.916 118.3 42.5 -64.8 -43.7 -10.7 3.9 13.2 286 325 A L H <5S- 0 0 21 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.775 109.0-125.7 -73.3 -24.1 -7.4 3.1 11.5 287 326 A G T <5 + 0 0 52 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.854 65.4 123.7 80.4 39.3 -7.8 6.1 9.1 288 327 A V < 0 0 20 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.849 360.0 360.0-120.0 161.6 -7.5 4.3 5.8 289 328 A P 0 0 152 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 0.860 360.0 360.0 -62.3 360.0 -9.9 4.2 2.9