==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-OCT-11 3UA4 . COMPND 2 MOLECULE: PROTEIN ARGININE N-METHYLTRANSFERASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR L.SUN,M.WANG,Z.LV,N.YANG,Y.LIU,S.BAO,W.GONG,R.M.XU . 1268 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 858 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 11.2 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.6 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 . 129 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 5 0 4 2 3 2 5 2 1 3 0 0 0 1 0 1 1 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 7 8 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 PARALLEL BRIDGES PER LADDER . 5 7 3 2 0 1 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 2 2 0 2 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 45 A N > 0 0 99 0, 0.0 3,-0.7 0, 0.0 282,-0.0 0.000 360.0 360.0 360.0 -15.1 42.4 30.7 -5.0 2 46 A S T 3 + 0 0 108 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.768 360.0 44.7 -53.4 -28.5 41.0 27.5 -3.6 3 47 A R T 3 S+ 0 0 131 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.689 100.6 72.8 -96.4 -22.4 44.1 27.0 -1.5 4 48 A I < - 0 0 3 -3,-0.7 2,-0.5 251,-0.0 -1,-0.1 -0.859 61.6-163.4-100.3 122.0 44.7 30.5 -0.1 5 49 A H - 0 0 75 -2,-0.6 253,-1.5 249,-0.3 2,-0.6 -0.900 5.0-165.2-102.8 124.9 42.3 31.7 2.6 6 50 A I E -a 258 0A 1 -2,-0.5 253,-0.2 251,-0.2 2,-0.2 -0.875 4.8-156.7-117.8 100.3 42.4 35.5 3.2 7 51 A G E -a 259 0A 0 251,-1.2 253,-2.4 -2,-0.6 2,-0.5 -0.476 5.5-147.2 -73.6 141.9 40.8 36.8 6.4 8 52 A W E -ab 260 38A 3 29,-1.7 31,-1.4 251,-0.2 2,-0.4 -0.958 16.1-138.8-108.8 122.3 39.5 40.3 6.6 9 53 A M E - b 0 39A 6 251,-2.0 253,-0.4 -2,-0.5 31,-0.2 -0.680 16.8-120.7 -85.7 128.1 39.9 41.9 10.0 10 54 A A + 0 0 8 29,-2.5 2,-0.3 -2,-0.4 -1,-0.1 -0.264 41.3 177.3 -54.5 151.6 37.0 44.0 11.3 11 55 A T - 0 0 3 250,-0.1 3,-0.4 30,-0.0 38,-0.1 -0.914 50.7 -97.7-148.9 174.9 38.1 47.5 12.1 12 56 A T S S+ 0 0 102 -2,-0.3 3,-0.2 1,-0.2 -2,-0.1 0.425 117.6 70.5 -74.3 2.7 36.9 50.9 13.3 13 57 A L S S+ 0 0 58 1,-0.2 -1,-0.2 249,-0.1 -3,-0.1 0.855 99.9 36.7 -87.7 -41.6 36.8 51.6 9.5 14 58 A D S S+ 0 0 24 -3,-0.4 2,-1.6 248,-0.1 -1,-0.2 -0.037 74.3 141.2-107.1 32.1 34.0 49.4 8.4 15 59 A V + 0 0 65 -3,-0.2 3,-0.1 30,-0.0 -3,-0.1 -0.588 28.9 173.2 -74.6 90.2 31.7 49.9 11.4 16 60 A A > - 0 0 66 -2,-1.6 3,-0.5 1,-0.2 2,-0.4 0.124 42.2 -60.3 -79.4-160.1 28.4 50.1 9.6 17 61 A E T 3 S- 0 0 159 1,-0.2 5,-0.2 2,-0.1 -1,-0.2 -0.755 114.5 -12.7 -91.2 134.3 24.9 50.3 11.2 18 62 A N T >> S+ 0 0 84 -2,-0.4 4,-1.9 1,-0.1 3,-1.1 0.813 81.3 158.1 46.0 36.1 23.9 47.4 13.4 19 63 A L T <4 + 0 0 11 -3,-0.5 7,-0.2 1,-0.3 -1,-0.1 0.870 69.1 60.1 -56.7 -37.2 26.8 45.4 12.0 20 64 A D T >4 S+ 0 0 9 1,-0.2 3,-0.5 -4,-0.1 -1,-0.3 0.865 108.7 45.3 -56.9 -35.2 26.7 43.2 15.1 21 65 A R T <4 S+ 0 0 59 -3,-1.1 2,-0.3 1,-0.2 3,-0.3 0.858 115.4 44.7 -77.0 -37.4 23.2 42.3 14.0 22 66 A H T 3X + 0 0 85 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 -0.370 61.9 135.5-110.8 54.1 23.9 41.7 10.4 23 67 A V H <> S+ 0 0 0 -3,-0.5 4,-2.8 -2,-0.3 5,-0.3 0.853 70.8 62.9 -65.3 -34.2 27.1 39.6 10.4 24 68 A A H > S+ 0 0 38 -3,-0.3 4,-1.7 45,-0.3 -1,-0.2 0.976 106.2 39.3 -53.5 -66.4 25.5 37.4 7.8 25 69 A T H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.773 113.9 60.9 -56.7 -26.5 25.2 40.0 5.0 26 70 A F H X S+ 0 0 22 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.981 107.3 39.4 -65.3 -59.0 28.6 41.3 6.2 27 71 A C H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.730 114.0 61.3 -63.2 -21.7 30.5 38.0 5.5 28 72 A T H X S+ 0 0 79 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.980 110.6 34.7 -66.1 -59.2 28.3 37.9 2.4 29 73 A R H X S+ 0 0 153 -4,-2.7 4,-1.7 2,-0.2 3,-0.3 0.966 119.1 50.8 -60.0 -55.6 29.6 41.1 0.9 30 74 A L H >< S+ 0 0 5 -4,-2.7 3,-1.0 1,-0.3 5,-0.4 0.939 110.2 51.1 -45.8 -53.0 33.1 40.7 2.2 31 75 A G H >X S+ 0 0 30 -4,-1.9 3,-0.9 1,-0.3 4,-0.6 0.870 102.4 59.9 -52.4 -40.8 33.0 37.2 0.7 32 76 A E H 3< S+ 0 0 125 -4,-2.0 2,-0.7 1,-0.3 -1,-0.3 0.855 93.6 66.2 -56.4 -35.3 31.9 38.8 -2.6 33 77 A F T << S- 0 0 28 -4,-1.7 -1,-0.3 -3,-1.0 245,-0.2 -0.057 127.9 -99.1 -78.5 37.4 35.1 40.7 -2.5 34 78 A K T <4 S+ 0 0 68 -3,-0.9 2,-0.3 -2,-0.7 -3,-0.2 0.858 88.1 110.3 41.6 55.2 36.9 37.4 -3.0 35 79 A Y < - 0 0 10 -4,-0.6 -2,-0.2 -5,-0.4 -1,-0.1 -0.944 48.9-156.1-150.9 143.6 37.9 36.5 0.6 36 80 A N + 0 0 44 -2,-0.3 -5,-0.1 -4,-0.1 2,-0.1 0.995 60.9 31.4 -82.2 -71.9 36.5 33.8 2.9 37 81 A F - 0 0 4 40,-0.1 -29,-1.7 -7,-0.1 2,-0.4 -0.445 60.4-147.2 -97.3 164.7 36.8 34.2 6.7 38 82 A V E -bc 8 79A 1 40,-0.8 42,-3.2 -31,-0.3 2,-1.0 -0.977 16.0-135.9-134.6 145.8 36.8 37.2 9.0 39 83 A V E +bc 9 80A 4 -31,-1.4 -29,-2.5 -2,-0.4 42,-0.2 -0.838 39.2 179.5 -95.0 98.7 38.5 38.2 12.3 40 84 A Y E - c 0 81A 1 -2,-1.0 42,-2.0 40,-0.6 2,-0.6 -0.777 38.6-103.0-105.0 144.5 35.5 39.8 14.1 41 85 A P E > - c 0 82A 6 0, 0.0 3,-1.6 0, 0.0 42,-0.2 -0.546 32.1-147.3 -63.6 112.5 35.5 41.3 17.6 42 86 A I T 3 S+ 0 0 2 40,-1.6 23,-0.1 -2,-0.6 41,-0.1 0.822 92.5 52.3 -53.5 -37.8 33.8 38.5 19.6 43 87 A G T 3 S- 0 0 0 39,-0.5 21,-2.8 1,-0.2 -1,-0.3 0.688 121.1 -94.2 -75.3 -17.9 32.1 40.9 22.0 44 88 A G X> - 0 0 0 -3,-1.6 4,-3.7 19,-0.2 3,-1.3 -0.158 29.3 -94.4 110.9 148.9 30.6 43.1 19.3 45 89 A V H 3> S+ 0 0 9 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.828 121.8 62.0 -68.8 -34.1 31.8 46.3 17.7 46 90 A V H 34 S+ 0 0 111 18,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.589 119.9 30.5 -66.0 -7.4 29.8 48.5 20.1 47 91 A R H X4 S+ 0 0 3 -3,-1.3 3,-1.5 -6,-0.1 -2,-0.2 0.729 113.1 58.0-114.0 -50.4 32.1 46.9 22.7 48 92 A A H 3< S+ 0 0 2 -4,-3.7 38,-0.5 1,-0.3 -3,-0.2 0.857 115.0 38.2 -48.9 -42.2 35.3 46.1 20.9 49 93 A F T 3< S+ 0 0 60 -4,-1.7 -1,-0.3 -5,-0.2 -3,-0.1 0.289 85.0 127.8-105.1 10.0 35.9 49.7 19.9 50 94 A W < - 0 0 37 -3,-1.5 36,-0.1 -5,-0.1 -3,-0.1 -0.290 59.1-125.8 -58.3 147.9 34.7 51.4 23.1 51 95 A T - 0 0 93 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.913 14.8-162.1-106.8 121.4 37.1 53.9 24.6 52 96 A P + 0 0 38 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.481 63.4 102.0 -83.0 -3.4 38.0 53.2 28.3 53 97 A N + 0 0 152 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.340 60.9 109.0 -81.4 61.0 39.3 56.7 29.0 54 98 A G S S- 0 0 40 -2,-2.1 0, 0.0 1,-0.2 0, 0.0 -0.635 72.9 -76.6-122.5-178.5 36.2 57.9 30.8 55 99 A S > - 0 0 88 -2,-0.2 3,-1.9 1,-0.1 -1,-0.2 -0.012 59.6 -86.0 -66.7 179.8 35.1 58.8 34.3 56 100 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.616 130.2 64.0 -62.9 -10.6 34.2 56.2 37.0 57 101 A E T 3 S+ 0 0 154 1,-0.1 2,-1.1 2,-0.1 -1,-0.3 0.544 77.7 93.3 -91.2 -11.1 30.8 56.3 35.3 58 102 A N < + 0 0 75 -3,-1.9 -4,-0.2 -6,-0.1 -1,-0.1 -0.717 56.8 175.7 -90.4 95.2 32.0 55.0 31.9 59 103 A H - 0 0 121 -2,-1.1 3,-0.1 1,-0.1 -2,-0.1 -0.565 35.9 -89.6 -96.5 161.1 31.5 51.2 32.1 60 104 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.446 43.6-103.9 -74.6 142.7 32.1 48.7 29.2 61 105 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.440 41.6-111.7 -60.1 127.1 29.3 47.9 26.8 62 106 A V - 0 0 109 -2,-0.2 -16,-0.1 1,-0.1 2,-0.0 -0.178 47.3 -79.7 -55.3 154.6 27.8 44.5 27.5 63 107 A I + 0 0 14 1,-0.1 -19,-0.2 -3,-0.1 -1,-0.1 -0.322 53.2 171.8 -59.6 139.2 28.5 41.7 24.9 64 108 A D + 0 0 56 -21,-2.8 -19,-0.2 -3,-0.1 -18,-0.2 -0.290 30.4 117.6-153.7 58.9 26.2 42.0 21.9 65 109 A L - 0 0 1 -21,-0.1 -44,-0.1 -23,-0.1 -21,-0.1 -0.791 55.4-145.0-123.8 88.8 27.1 39.6 19.0 66 110 A P - 0 0 1 0, 0.0 299,-0.1 0, 0.0 -2,-0.1 -0.174 11.0-158.5 -58.4 140.0 24.0 37.4 18.6 67 111 A D S > S+ 0 0 4 1,-0.1 3,-1.8 2,-0.1 8,-0.1 0.927 84.7 66.9 -80.0 -54.1 24.6 33.7 17.6 68 112 A V T 3 S+ 0 0 44 1,-0.3 -1,-0.1 3,-0.0 297,-0.0 0.741 83.3 76.4 -40.4 -34.9 21.1 32.9 16.2 69 113 A Q T 3 S+ 0 0 23 1,-0.1 -1,-0.3 2,-0.0 -45,-0.3 0.409 105.9 32.8 -62.6 5.4 21.7 35.4 13.4 70 114 A L S < S- 0 0 22 -3,-1.8 -1,-0.1 -47,-0.1 5,-0.1 -0.855 91.2-109.8-165.5 122.8 23.9 32.7 11.8 71 115 A R >> - 0 0 176 -2,-0.3 4,-1.3 1,-0.1 3,-1.0 -0.238 38.5-113.0 -58.5 146.9 23.8 28.9 11.9 72 116 A N H 3> S+ 0 0 71 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.866 109.7 57.3 -53.3 -55.9 26.6 27.4 13.9 73 117 A D H 3> S+ 0 0 88 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.829 107.4 54.7 -49.1 -32.2 28.7 25.6 11.4 74 118 A L H <> S+ 0 0 31 -3,-1.0 4,-2.4 2,-0.2 5,-0.5 0.954 104.5 50.2 -66.6 -52.9 29.0 28.9 9.7 75 119 A W H < S+ 0 0 0 -4,-1.3 4,-0.3 1,-0.2 42,-0.3 0.954 111.9 51.8 -44.3 -52.2 30.3 30.7 12.8 76 120 A E H < S+ 0 0 77 -4,-2.6 41,-0.4 1,-0.2 -1,-0.2 0.855 115.0 39.3 -58.3 -40.3 32.8 27.8 13.0 77 121 A S H < S+ 0 0 70 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.981 128.3 20.3 -73.8 -57.7 34.1 28.2 9.4 78 122 A Y S < S+ 0 0 93 -4,-2.4 -40,-0.8 -5,-0.1 -3,-0.2 0.986 100.4 76.0 -82.9 -65.9 34.2 31.9 8.9 79 123 A V E -c 38 0A 3 -5,-0.5 2,-0.6 -4,-0.3 39,-0.4 -0.280 51.0-167.7 -65.3 126.6 34.4 34.0 12.1 80 124 A V E -c 39 0A 1 -42,-3.2 -40,-0.6 -2,-0.1 2,-0.3 -0.936 24.2-133.6-112.1 108.0 37.6 34.2 14.0 81 125 A G E -cd 40 119A 0 37,-1.3 39,-3.1 -2,-0.6 2,-0.4 -0.418 22.9-170.7 -73.6 125.8 37.0 35.7 17.5 82 126 A K E -cd 41 120A 16 -42,-2.0 -40,-1.6 -2,-0.3 -39,-0.5 -0.900 24.4-112.0-117.4 144.1 39.2 38.4 18.8 83 127 A I - 0 0 13 37,-1.6 39,-0.3 -2,-0.4 21,-0.1 -0.478 45.7 -89.4 -74.1 136.3 39.4 40.0 22.2 84 128 A S > - 0 0 2 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 -0.172 33.8-135.4 -46.1 126.1 38.4 43.7 22.7 85 129 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -36,-0.1 0.689 99.5 64.9 -64.9 -21.6 41.5 45.9 22.1 86 130 A W T 3 S+ 0 0 18 -38,-0.5 2,-0.3 -36,-0.1 -2,-0.1 0.577 77.6 106.5 -78.0 -10.6 40.8 48.1 25.1 87 131 A I < + 0 0 19 -3,-1.9 2,-0.1 -39,-0.1 10,-0.1 -0.518 40.6 166.1 -71.6 130.8 41.3 45.1 27.5 88 132 A D > + 0 0 12 8,-0.4 3,-2.0 -2,-0.3 12,-0.2 -0.527 17.5 174.9-153.5 79.1 44.6 45.3 29.4 89 133 A C T 3 S+ 0 0 1 1,-0.3 12,-0.1 11,-0.2 -1,-0.1 0.735 86.9 56.4 -57.1 -24.1 45.1 43.1 32.3 90 134 A D T 3 S+ 0 0 21 6,-0.1 -1,-0.3 40,-0.1 7,-0.1 0.051 79.8 145.6-100.4 27.8 48.6 44.4 32.6 91 135 A S < - 0 0 25 -3,-2.0 6,-0.1 2,-0.2 7,-0.0 -0.190 58.4-127.6 -57.3 154.0 47.5 48.0 32.9 92 136 A S S S+ 0 0 112 1,-0.1 -1,-0.1 5,-0.0 3,-0.1 0.584 97.0 76.4 -79.9 -11.3 49.5 50.2 35.1 93 137 A D S >> S- 0 0 87 1,-0.2 4,-2.1 2,-0.0 3,-0.6 -0.909 77.2-148.9-105.2 109.1 46.3 51.2 36.9 94 138 A P H 3> S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 93.9 51.9 -43.7 -50.9 45.2 48.3 39.2 95 139 A A H 3> S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 111.0 45.3 -57.4 -48.4 41.5 49.0 38.8 96 140 A F H <> S+ 0 0 39 -3,-0.6 4,-2.4 2,-0.2 -8,-0.4 0.838 111.5 54.1 -67.9 -32.1 41.5 48.9 35.1 97 141 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 110.8 45.3 -65.4 -47.7 43.7 45.8 35.1 98 142 A S H X S+ 0 0 64 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.938 111.8 52.0 -58.1 -50.2 41.2 44.0 37.3 99 143 A L H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.930 110.0 50.7 -49.9 -48.0 38.3 45.2 35.2 100 144 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -11,-0.2 0.817 106.7 52.5 -64.0 -37.0 40.2 43.8 32.2 101 145 A E H X S+ 0 0 54 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.982 111.1 49.0 -59.5 -55.9 40.7 40.4 33.8 102 146 A E H X S+ 0 0 104 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.928 116.6 40.4 -44.9 -56.3 37.0 40.2 34.5 103 147 A H H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.821 110.4 57.6 -71.4 -29.2 36.0 41.2 30.9 104 148 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.951 108.7 48.3 -60.9 -50.8 38.8 39.0 29.4 105 149 A L H X S+ 0 0 77 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.937 109.2 53.0 -48.4 -53.4 37.2 36.2 31.2 106 150 A K H X S+ 0 0 93 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.890 110.8 46.2 -53.5 -42.5 33.7 37.2 29.9 107 151 A E H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.827 111.0 51.9 -74.9 -30.9 34.9 37.3 26.3 108 152 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.970 111.0 48.5 -64.1 -53.1 36.7 33.9 26.6 109 153 A S H X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.884 112.3 48.9 -50.6 -45.5 33.4 32.4 28.0 110 154 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.859 105.8 56.3 -68.5 -34.6 31.5 33.9 25.2 111 155 A I H X>S+ 0 0 3 -4,-1.9 5,-1.3 2,-0.2 4,-1.2 0.920 109.2 47.6 -62.7 -40.8 33.9 32.6 22.6 112 156 A C H <5S+ 0 0 66 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.936 110.1 53.6 -62.0 -44.9 33.2 29.2 24.0 113 157 A Y H <5S+ 0 0 62 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 109.8 45.3 -56.8 -46.7 29.5 29.9 23.9 114 158 A L H <5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.749 108.3-132.9 -68.0 -23.7 29.5 30.8 20.2 115 159 A G T <5 + 0 0 27 -4,-1.2 2,-0.2 -3,-0.3 -3,-0.2 0.980 34.7 179.5 68.6 60.2 31.6 27.8 19.5 116 160 A L < - 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0 0 39 -2,-0.3 3,-3.1 -26,-0.1 4,-0.4 -0.832 46.2-116.8 -84.4 132.8 19.3 31.4 38.7 385 478 A M G > S+ 0 0 5 -2,-0.5 3,-2.1 1,-0.3 -1,-0.1 0.768 111.6 73.1 -38.8 -35.5 15.7 30.4 39.4 386 479 A R G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 39,-0.0 0.516 101.2 43.6 -64.4 -2.2 16.8 29.6 42.9 387 480 A S G X> S+ 0 0 64 -3,-3.1 4,-1.0 2,-0.1 3,-0.6 0.384 85.5 97.9-118.8 -3.2 17.0 33.4 43.6 388 481 A L H <> + 0 0 1 -3,-2.1 4,-2.5 -4,-0.4 5,-0.2 0.941 66.4 70.8 -48.4 -60.9 13.8 34.5 41.8 389 482 A P H 3> S+ 0 0 42 0, 0.0 4,-1.3 0, 0.0 5,-0.3 0.695 103.2 42.4 -32.0 -50.6 11.5 34.7 44.9 390 483 A G H <> S+ 0 0 51 -3,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.991 119.8 38.0 -63.7 -65.0 13.2 37.8 46.2 391 484 A I H X S+ 0 0 23 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.651 109.9 67.7 -65.2 -16.3 13.7 39.9 43.0 392 485 A A H <>S+ 0 0 0 -4,-2.5 5,-3.2 -5,-0.2 4,-0.4 0.995 112.7 24.4 -66.6 -66.0 10.3 38.7 41.8 393 486 A K H <5S+ 0 0 117 -4,-1.3 -2,-0.2 3,-0.2 3,-0.2 0.795 122.4 60.6 -71.2 -28.2 8.0 40.5 44.2 394 487 A D H <5S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.980 108.6 39.3 -59.6 -59.4 10.8 43.1 44.8 395 488 A R T <5S- 0 0 146 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.463 126.9-101.4 -76.7 -0.5 10.9 44.3 41.2 396 489 A G T 5 + 0 0 60 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.805 67.9 146.9 94.2 34.9 7.1 44.0 41.1 397 490 A F < - 0 0 39 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.719 42.7-119.8-102.6 153.0 6.2 40.8 39.3 398 491 A E - 0 0 95 -2,-0.3 29,-0.0 1,-0.1 -5,-0.0 -0.675 34.5 -94.9 -94.8 144.8 3.2 38.5 39.9 399 492 A Q - 0 0 52 -2,-0.3 -83,-0.2 1,-0.1 29,-0.2 -0.095 46.8-111.4 -53.0 150.6 3.4 34.9 40.9 400 493 A P - 0 0 1 0, 0.0 29,-0.7 0, 0.0 32,-0.2 -0.245 15.1-157.7 -84.6 171.1 3.1 32.3 38.1 401 494 A D S S+ 0 0 13 -85,-3.0 32,-1.7 1,-0.4 2,-0.4 0.642 86.9 25.8-110.9 -39.7 0.4 29.9 37.2 402 495 A I E -jl 317 433B 4 -86,-1.6 -84,-2.4 30,-0.2 2,-0.5 -0.984 64.0-163.1-124.2 136.8 2.6 27.5 35.2 403 496 A I E -jl 318 434B 5 30,-1.1 32,-1.1 -2,-0.4 2,-0.5 -0.923 13.3-162.4-119.7 107.4 6.4 27.0 35.6 404 497 A V E +jl 319 435B 1 -86,-2.8 -84,-3.3 -2,-0.5 2,-0.3 -0.755 17.8 161.7 -93.6 125.6 7.9 25.3 32.6 405 498 A S E -j 320 0B 0 30,-2.4 -84,-0.1 -2,-0.5 2,-0.1 -0.950 29.0-165.8-137.7 158.7 11.3 23.7 32.8 406 499 A E + 0 0 43 -86,-0.6 2,-0.2 -2,-0.3 -2,-0.0 -0.561 35.0 140.7-141.8 73.3 13.4 21.1 31.0 407 500 A L + 0 0 34 -2,-0.1 10,-0.7 2,-0.0 2,-0.4 -0.394 30.0 145.5-112.3 53.8 16.3 20.2 33.3 408 501 A L - 0 0 2 -2,-0.2 2,-0.2 8,-0.1 5,-0.2 -0.777 30.1-166.5-104.0 134.4 16.5 16.5 32.6 409 502 A G B > -M 412 0C 0 3,-2.1 3,-2.4 -2,-0.4 171,-0.1 -0.604 43.9 -98.5-100.6 171.4 19.4 14.1 32.4 410 503 A S T 3 S+ 0 0 4 1,-0.3 170,-0.4 -2,-0.2 3,-0.1 0.776 130.5 45.5 -61.3 -26.2 19.4 10.6 31.0 411 504 A F T 3 S- 0 0 0 1,-0.1 2,-1.7 168,-0.1 -1,-0.3 0.080 114.6-124.7-102.5 21.8 19.0 9.3 34.5 412 505 A G B X S+M 409 0C 0 -3,-2.4 -3,-2.1 1,-0.2 3,-0.6 -0.545 97.0 35.5 79.2 -83.8 16.4 11.9 35.2 413 506 A D G > S+ 0 0 0 -2,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.345 87.8 97.9 -90.3 5.4 17.6 13.8 38.2 414 507 A N G 3 S+ 0 0 8 1,-0.3 2,-0.2 2,-0.1 -1,-0.2 0.876 78.2 59.0 -61.2 -37.3 21.3 13.7 37.4 415 508 A E G < S- 0 0 112 -3,-0.6 -1,-0.3 -8,-0.2 -2,-0.1 -0.111 119.1-105.6 -89.2 35.9 21.3 17.2 35.9 416 509 A L X> + 0 0 15 -3,-1.1 4,-2.0 -2,-0.2 3,-0.8 0.504 70.0 146.2 64.4 9.5 20.1 18.8 39.1 417 510 A S H 3> + 0 0 1 -10,-0.7 4,-2.8 -5,-0.3 5,-0.4 0.890 67.1 53.2 -42.6 -57.6 16.4 19.4 38.0 418 511 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.817 110.9 46.3 -55.7 -35.7 14.8 18.8 41.5 419 512 A E H <> S+ 0 0 18 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.894 113.6 48.6 -74.2 -40.0 17.1 21.3 43.2 420 513 A C H < S+ 0 0 18 -4,-2.0 3,-0.4 2,-0.2 4,-0.2 0.971 118.0 39.1 -61.1 -56.6 16.6 24.0 40.5 421 514 A L H >< S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.891 114.0 56.9 -60.1 -40.1 12.8 23.6 40.5 422 515 A D H >< S+ 0 0 22 -4,-1.9 3,-1.2 -5,-0.4 -1,-0.2 0.806 94.5 66.5 -63.6 -30.8 12.8 23.3 44.3 423 516 A G T 3< S+ 0 0 29 -4,-1.7 -1,-0.3 -3,-0.4 3,-0.2 0.567 98.5 53.8 -67.0 -6.7 14.6 26.6 44.8 424 517 A V T X S+ 0 0 3 -3,-1.5 3,-0.8 -4,-0.2 -1,-0.2 0.126 73.4 104.6-117.9 20.7 11.6 28.5 43.4 425 518 A T G X + 0 0 28 -3,-1.2 3,-1.4 1,-0.2 -1,-0.1 0.773 66.1 68.4 -76.5 -28.2 8.7 27.2 45.6 426 519 A G G 3 S+ 0 0 69 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.522 99.3 51.5 -72.1 -3.9 8.3 30.2 47.9 427 520 A F G < S+ 0 0 5 -3,-0.8 2,-0.3 2,-0.1 -1,-0.3 0.180 91.4 97.3-119.6 13.5 6.9 32.4 45.1 428 521 A L S < S- 0 0 16 -3,-1.4 -27,-0.1 -29,-0.2 -29,-0.1 -0.757 71.3-118.1-109.1 150.3 4.2 30.1 43.7 429 522 A K > - 0 0 63 -29,-0.7 3,-1.1 -2,-0.3 -2,-0.1 -0.523 28.7-119.8 -70.9 148.9 0.5 29.9 44.2 430 523 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 95,-0.1 0.700 121.1 60.5 -56.6 -16.8 -0.8 26.6 45.8 431 524 A T T 3 S+ 0 0 81 2,-0.1 2,-0.1 -29,-0.0 -30,-0.1 0.767 75.2 119.6 -78.6 -29.5 -2.6 26.7 42.4 432 525 A T < - 0 0 3 -3,-1.1 2,-0.3 -32,-0.2 -30,-0.2 -0.154 51.8-154.7 -51.6 108.3 0.6 26.8 40.3 433 526 A I E -l 402 0B 33 -32,-1.7 -30,-1.1 -2,-0.1 2,-0.5 -0.664 14.1-147.6 -79.3 140.4 0.7 23.7 38.1 434 527 A S E -l 403 0B 2 88,-0.4 88,-0.2 -2,-0.3 -30,-0.2 -0.950 8.3-120.3-121.9 125.7 4.3 22.8 37.2 435 528 A I E S+l 404 0B 5 -32,-1.1 -30,-2.4 -2,-0.5 2,-0.2 -0.937 101.4 34.2-110.7 127.6 5.6 21.2 34.0 436 529 A P S S- 0 0 2 0, 0.0 121,-0.3 0, 0.0 86,-0.2 0.536 78.1-174.9 -74.6 159.0 6.9 18.8 34.1 437 530 A Q + 0 0 44 119,-1.9 85,-3.2 120,-0.4 2,-0.3 0.929 65.9 2.5 -80.5 -52.2 4.8 17.4 36.9 438 531 A K E +NO 521 556D 85 118,-1.8 118,-2.1 83,-0.2 2,-0.3 -0.954 56.8 179.8-137.5 149.3 6.5 14.2 37.5 439 532 A Y E -NO 520 555D 0 81,-2.0 81,-2.3 -2,-0.3 2,-0.4 -0.981 10.3-157.8-145.5 153.0 9.5 12.2 36.3 440 533 A T E -NO 519 554D 1 114,-2.4 114,-2.1 -2,-0.3 2,-0.5 -0.993 10.2-141.5-137.9 134.8 10.9 8.8 37.2 441 534 A S E -NO 518 553D 0 77,-2.3 76,-2.9 -2,-0.4 77,-1.6 -0.826 25.1-174.0 -98.8 122.8 14.4 7.3 36.9 442 535 A Y E -NO 516 552D 35 110,-1.0 110,-2.3 -2,-0.5 2,-0.3 -0.523 6.4-158.2-111.7 177.4 14.6 3.6 35.9 443 536 A V E -NO 515 551D 0 72,-1.7 72,-2.3 108,-0.3 108,-0.2 -0.997 8.8-173.5-159.0 149.0 17.3 0.9 35.6 444 537 A K E - O 0 550D 17 106,-1.7 106,-2.7 -2,-0.3 70,-0.1 -0.914 30.4-115.0-154.8 125.0 18.1 -2.4 33.9 445 538 A P E - O 0 549D 0 0, 0.0 65,-2.5 0, 0.0 66,-0.7 -0.293 39.3-179.0 -64.2 132.8 21.1 -4.8 34.3 446 539 A I E -PO 509 548D 0 102,-2.7 101,-1.3 63,-0.2 102,-0.9 -0.847 21.1-140.8-131.5 166.9 23.2 -5.2 31.2 447 540 A M + 0 0 0 61,-2.8 61,-0.4 -2,-0.3 2,-0.3 -0.980 32.8 140.7-133.2 121.7 26.3 -7.1 29.9 448 541 A S > - 0 0 0 -2,-0.4 4,-1.5 59,-0.2 5,-0.2 -0.845 34.7-163.1-159.9 124.7 29.0 -5.8 27.6 449 542 A T H > S+ 0 0 6 410,-2.0 4,-2.4 -2,-0.3 5,-0.2 0.800 98.0 56.7 -70.3 -27.4 32.7 -6.2 27.5 450 543 A H H > S+ 0 0 63 56,-0.5 4,-2.2 409,-0.3 5,-0.2 0.957 106.5 43.2 -71.0 -53.5 32.8 -3.2 25.2 451 544 A I H > S+ 0 0 7 55,-0.2 4,-2.6 2,-0.2 5,-0.2 0.952 121.6 42.2 -58.2 -49.6 31.0 -0.7 27.4 452 545 A H H X S+ 0 0 6 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.972 115.0 47.2 -60.7 -59.6 33.0 -1.8 30.5 453 546 A Q H X S+ 0 0 19 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.828 115.0 49.7 -52.4 -34.6 36.4 -2.1 28.8 454 547 A T H < S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.915 110.3 47.5 -74.5 -45.6 35.9 1.3 27.2 455 548 A I H >< S+ 0 0 6 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.953 114.8 48.1 -54.9 -51.0 34.9 3.1 30.4 456 549 A K H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 106.7 54.4 -62.4 -40.9 37.8 1.6 32.2 457 550 A A T 3< S+ 0 0 30 -4,-1.7 637,-0.5 -5,-0.2 638,-0.3 0.142 70.9 129.6 -91.7 21.5 40.5 2.4 29.7 458 551 A Q < - 0 0 84 -3,-1.2 2,-0.3 -4,-0.1 37,-0.1 -0.554 39.0-171.0 -66.3 138.0 40.0 6.1 29.4 459 552 A S - 0 0 52 -2,-0.2 -2,-0.0 634,-0.0 -3,-0.0 -0.900 23.3-124.2-131.6 161.2 43.3 7.9 29.8 460 553 A I - 0 0 77 -2,-0.3 632,-0.1 632,-0.2 5,-0.1 -0.858 23.6-148.2-114.5 102.5 44.4 11.5 30.1 461 554 A P > - 0 0 61 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.157 33.3-101.0 -57.2 154.1 47.0 12.8 27.6 462 555 A Y G > S+ 0 0 40 627,-0.7 3,-1.6 1,-0.3 4,-0.2 0.837 123.4 56.1 -46.5 -41.7 49.6 15.4 28.7 463 556 A L G 3 S+ 0 0 25 1,-0.3 -1,-0.3 626,-0.2 3,-0.2 0.679 108.9 46.8 -72.8 -15.6 47.6 18.1 27.0 464 557 A S G X S+ 0 0 19 -3,-2.5 3,-1.1 1,-0.1 -1,-0.3 0.255 77.7 109.9-105.5 14.1 44.5 17.2 29.0 465 558 A R T < S+ 0 0 41 -3,-1.6 20,-3.1 1,-0.3 -1,-0.1 0.665 80.1 46.1 -64.4 -19.2 46.3 17.0 32.4 466 559 A A T 3 S+ 0 0 0 -326,-0.4 -1,-0.3 18,-0.3 18,-0.2 0.515 77.2 123.7-104.0 -7.4 44.6 20.2 33.7 467 560 A I S < S- 0 0 31 -3,-1.1 -326,-0.1 -325,-0.1 -325,-0.1 -0.360 71.6-106.3 -57.4 127.1 41.0 19.4 32.7 468 561 A P - 0 0 46 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.230 33.1-117.4 -58.5 140.7 38.9 19.6 35.8 469 562 A S - 0 0 9 4,-0.3 168,-0.1 17,-0.1 167,-0.1 -0.241 14.1-122.7 -72.5 165.2 37.6 16.3 37.3 470 563 A H S S+ 0 0 109 166,-0.3 168,-3.0 24,-0.1 166,-0.2 0.478 91.8 69.2 -85.9 -4.0 33.9 15.4 37.5 471 564 A G S S- 0 0 0 164,-0.3 164,-0.2 166,-0.3 165,-0.2 0.228 112.0 -69.1 -93.6-145.8 34.3 14.9 41.3 472 565 A R S S+ 0 0 68 162,-0.2 2,-0.2 161,-0.1 163,-0.1 0.552 100.7 98.9 -87.7 -10.0 34.9 17.3 44.1 473 566 A G - 0 0 32 162,-0.4 -4,-0.3 13,-0.1 -2,-0.1 -0.491 53.8-163.0 -82.4 148.0 38.4 18.0 43.0 474 567 A E - 0 0 130 -2,-0.2 12,-0.3 -6,-0.1 10,-0.1 -0.932 32.9 -87.9-124.1 152.8 39.5 21.1 41.1 475 568 A P - 0 0 22 0, 0.0 10,-0.3 0, 0.0 2,-0.3 -0.079 49.3-174.3 -49.5 155.8 42.8 21.6 39.1 476 569 A E E -T 484 0E 78 8,-2.1 8,-2.7 6,-0.1 2,-0.5 -0.876 28.4 -90.0-145.5 178.1 45.8 23.1 40.9 477 570 A L E -T 483 0E 77 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.836 38.2-160.6 -96.5 128.4 49.3 24.4 40.6 478 571 A D > - 0 0 29 4,-2.6 3,-1.5 -2,-0.5 -1,-0.0 -0.173 42.4 -79.0 -91.0-167.9 52.2 21.9 40.8 479 572 A E T 3 S+ 0 0 160 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.857 129.9 54.5 -63.4 -38.3 55.9 22.5 41.5 480 573 A D T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.200 119.5-110.0 -80.9 17.5 56.6 23.6 38.0 481 574 A E S < S+ 0 0 116 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.930 77.6 132.9 49.6 50.2 53.8 26.2 38.3 482 575 A M - 0 0 22 -342,-0.0 -4,-2.6 2,-0.0 2,-0.3 -0.925 61.7-105.2-125.8 152.1 51.7 24.2 35.8 483 576 A W E +T 477 0E 39 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.610 40.7 174.9 -82.9 135.2 48.0 23.2 36.2 484 577 A I E -T 476 0E 30 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.9 -0.990 28.5-147.7-141.3 129.4 47.2 19.7 37.1 485 578 A Q - 0 0 12 -20,-3.1 -18,-0.1 -2,-0.4 2,-0.1 -0.877 32.2-157.6 -89.7 106.8 43.9 17.9 37.9 486 579 A K - 0 0 114 -2,-0.9 -17,-0.1 -12,-0.3 -13,-0.1 -0.366 13.6-155.0 -84.0 163.6 45.1 15.3 40.4 487 580 A Y > + 0 0 37 1,-0.1 3,-1.5 -2,-0.1 7,-0.1 -0.675 15.0 174.2-142.1 85.8 43.3 12.0 41.2 488 581 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.835 81.2 60.2 -57.6 -39.1 44.1 10.6 44.7 489 582 A Q T 3 S- 0 0 27 1,-0.2 4,-0.3 146,-0.1 2,-0.0 0.584 120.4-104.0 -68.9 -7.7 41.5 7.8 44.4 490 583 A G <> - 0 0 29 -3,-1.5 4,-2.3 3,-0.1 -1,-0.2 0.019 25.1 -91.9 96.4 154.1 43.5 6.5 41.3 491 584 A H H > S+ 0 0 120 2,-0.2 4,-1.9 3,-0.2 5,-0.1 0.928 122.3 44.2 -70.7 -46.9 42.7 6.8 37.7 492 585 A V H >> S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 3,-0.6 0.982 114.2 50.1 -59.9 -58.3 40.8 3.6 37.2 493 586 A R H >> S+ 0 0 103 1,-0.3 4,-1.7 -4,-0.3 3,-1.3 0.940 112.5 48.2 -38.7 -63.0 38.8 4.1 40.4 494 587 A N H 3< S+ 0 0 4 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 109.3 54.5 -49.0 -36.6 37.9 7.6 39.2 495 588 A N H << S+ 0 0 14 -4,-1.9 -1,-0.3 -3,-0.6 3,-0.3 0.805 112.2 42.5 -68.2 -31.8 37.0 6.1 35.8 496 589 A M H << S+ 0 0 0 -4,-1.9 2,-0.8 -3,-1.3 -2,-0.2 0.681 97.3 72.8 -96.7 -17.1 34.5 3.6 37.3 497 590 A D S < S+ 0 0 0 -4,-1.7 2,-0.4 -5,-0.2 139,-0.2 -0.303 83.3 93.1 -93.2 51.8 32.8 5.8 39.9 498 591 A Q S S- 0 0 9 -2,-0.8 2,-0.2 -3,-0.3 139,-0.1 -0.996 71.3-127.7-144.0 137.2 30.8 7.9 37.4 499 592 A I - 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