==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-FEB-09 2ZZF . COMPND 2 MOLECULE: ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR M.SOKABE,T.OSE,K.TOKUNAGA,A.NAKAMURA,O.NUREKI,M.YAO,I.TANAKA . 728 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 . 2 0.3 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 . 56 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 2 0 1 2 1 0 2 2 2 1 0 0 1 0 1 0 0 0 0 0 1 0 0 0 1 1 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 . 3 4 1 6 3 3 2 2 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 1 1 0 0 1 0 0 0 0 1 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 2 A E 0 0 184 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.4 31.0 25.6 24.2 2 3 A F - 0 0 51 1,-0.1 186,-0.0 2,-0.0 0, 0.0 -0.707 360.0-160.8 -97.7 135.4 31.1 21.8 25.0 3 4 A I + 0 0 94 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.997 17.0 167.0 -71.2 -84.8 29.9 20.2 28.2 4 5 A M + 0 0 0 1,-0.3 2,-0.1 197,-0.0 -1,-0.1 0.346 19.8 145.3 77.4 4.3 31.3 16.7 28.8 5 6 A K - 0 0 130 4,-0.1 2,-0.3 3,-0.0 -1,-0.3 -0.468 28.2-170.9 -55.5 138.0 30.3 16.1 32.5 6 7 A T > - 0 0 3 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.975 35.7-115.8-133.4 152.7 29.5 12.4 33.0 7 8 A R H > S+ 0 0 87 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.906 116.4 54.3 -50.0 -47.6 28.0 10.5 35.9 8 9 A M H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 6,-0.3 0.944 107.0 50.1 -53.1 -51.6 31.3 8.6 36.4 9 10 A F H 4>S+ 0 0 3 1,-0.2 5,-2.0 2,-0.2 4,-0.5 0.882 115.0 44.1 -56.8 -42.4 33.4 11.8 36.6 10 11 A E H ><5S+ 0 0 158 -4,-2.1 3,-0.8 3,-0.2 -1,-0.2 0.972 119.0 40.4 -67.3 -53.6 31.0 13.3 39.2 11 12 A E H 3<5S+ 0 0 138 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.787 119.0 44.8 -67.4 -31.7 30.6 10.1 41.4 12 13 A E T 3<5S- 0 0 131 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.426 110.6-115.5 -98.1 3.6 34.3 9.0 41.2 13 14 A G T < 5 + 0 0 51 -3,-0.8 2,-0.2 -4,-0.5 -3,-0.2 0.860 48.0 172.8 66.0 40.0 35.7 12.4 41.9 14 15 A W < - 0 0 14 -5,-2.0 2,-0.4 -6,-0.3 15,-0.2 -0.538 26.1-130.9 -71.3 146.7 37.5 13.0 38.5 15 16 A I E -A 28 0A 65 13,-3.3 13,-1.7 -2,-0.2 2,-0.5 -0.862 5.9-141.2-104.9 130.6 39.0 16.5 38.1 16 17 A R E +A 27 0A 104 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.782 33.2 174.2 -87.2 127.9 38.5 18.6 35.0 17 18 A K E -A 26 0A 45 9,-3.2 9,-2.3 -2,-0.5 2,-0.5 -0.954 35.9-125.9-136.8 151.6 41.6 20.5 34.1 18 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 7,-0.2 2,-0.1 -0.857 40.2-118.0 -91.4 126.7 43.1 22.8 31.4 19 20 A C > - 0 0 5 5,-2.5 4,-0.9 -2,-0.5 16,-0.2 -0.415 12.1-139.8 -62.5 137.7 46.4 21.4 30.2 20 21 A K T 4 S+ 0 0 158 14,-1.5 -1,-0.1 2,-0.1 15,-0.1 0.755 99.1 37.0 -69.8 -24.4 49.4 23.7 30.9 21 22 A V T 4 S+ 0 0 91 13,-0.2 -1,-0.1 3,-0.1 14,-0.1 0.930 131.8 20.5 -93.1 -62.6 50.9 22.9 27.4 22 23 A C T 4 S- 0 0 53 2,-0.1 -2,-0.1 1,-0.1 13,-0.0 0.560 89.4-134.8 -87.9 -8.3 48.0 22.7 24.9 23 24 A G < + 0 0 45 -4,-0.9 -3,-0.1 1,-0.2 -1,-0.1 0.213 59.5 134.8 76.0 -16.3 45.4 24.6 27.0 24 25 A K - 0 0 84 -6,-0.2 -5,-2.5 1,-0.1 2,-0.2 -0.248 58.9-106.2 -71.0 151.3 42.8 21.9 26.2 25 26 A P E +A 18 0A 23 0, 0.0 163,-2.4 0, 0.0 2,-0.3 -0.523 42.4 166.7 -84.1 140.4 40.4 20.4 28.8 26 27 A F E -AB 17 187A 0 -9,-2.3 -9,-3.2 161,-0.3 2,-0.4 -0.971 28.9-127.5-147.2 156.9 40.9 16.8 30.2 27 28 A W E +AB 16 186A 21 159,-1.9 159,-1.6 -2,-0.3 2,-0.3 -0.872 32.7 169.5-110.4 144.4 39.6 14.8 33.1 28 29 A T E -A 15 0A 0 -13,-1.7 -13,-3.3 -2,-0.4 157,-0.1 -0.981 41.5-149.4-152.1 155.4 41.9 12.9 35.5 29 30 A L S S+ 0 0 44 155,-0.5 153,-0.1 -2,-0.3 154,-0.1 0.486 78.6 95.0 -96.6 -11.8 42.1 11.0 38.8 30 31 A D > - 0 0 42 152,-0.2 3,-1.8 154,-0.2 -1,-0.0 -0.723 59.5-162.0 -88.7 107.2 45.7 12.2 39.4 31 32 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.759 92.6 50.3 -62.3 -18.1 45.6 15.3 41.7 32 33 A D T 3 S+ 0 0 139 -3,-0.0 2,-0.4 2,-0.0 -2,-0.0 0.458 80.6 109.8 -96.5 -9.6 49.2 16.0 40.5 33 34 A R < + 0 0 24 -3,-1.8 -5,-0.0 1,-0.2 3,-0.0 -0.601 31.9 167.7 -74.2 124.5 48.7 15.7 36.7 34 35 A E + 0 0 122 -2,-0.4 -14,-1.5 -17,-0.0 2,-0.2 0.591 57.0 65.8-107.7 -17.9 49.1 19.1 35.0 35 36 A T S S- 0 0 29 -16,-0.2 -16,-0.1 -15,-0.1 7,-0.0 -0.715 84.0-115.5-113.5 161.1 49.2 17.9 31.4 36 37 A C - 0 0 0 -2,-0.2 168,-0.1 2,-0.2 -9,-0.1 0.584 43.3-116.6 -75.9 -13.1 46.7 16.2 29.1 37 38 A G S S+ 0 0 2 1,-0.3 170,-0.3 -11,-0.1 168,-0.1 0.469 80.8 112.1 91.2 4.9 48.5 12.9 28.5 38 39 A D S > S- 0 0 34 166,-0.1 3,-2.2 168,-0.1 4,-0.4 -0.934 72.3 -73.6-120.2 125.4 48.9 13.6 24.8 39 40 A P T 3 S+ 0 0 19 0, 0.0 4,-0.1 0, 0.0 246,-0.1 -0.238 115.6 23.6 -52.9 144.6 52.2 14.2 23.0 40 41 A P T 3 S+ 0 0 81 0, 0.0 245,-0.1 0, 0.0 3,-0.0 -0.955 125.1 55.0 -89.8 10.1 53.9 16.6 23.0 41 42 A C S < S+ 0 0 16 -3,-2.2 2,-0.2 166,-0.0 -21,-0.1 0.850 128.1 8.3 -66.3 -36.7 52.3 17.5 26.4 42 43 A D S S- 0 0 25 -4,-0.4 2,-0.3 165,-0.1 -6,-0.0 -0.740 81.1-125.0-131.4-178.0 53.4 14.0 27.6 43 44 A E - 0 0 65 -2,-0.2 165,-0.1 -4,-0.1 239,-0.1 -0.948 31.4 -87.4-134.6 151.8 55.5 11.2 26.3 44 45 A Y + 0 0 13 237,-0.3 163,-0.2 -2,-0.3 162,-0.1 -0.362 43.0 174.3 -52.5 129.8 55.3 7.5 25.5 45 46 A Q + 0 0 76 161,-1.6 -1,-0.2 160,-0.1 162,-0.1 0.320 60.3 73.1-122.8 4.5 56.3 5.8 28.7 46 47 A F > + 0 0 0 160,-0.5 3,-1.9 2,-0.1 2,-1.0 0.372 54.5 115.1-108.5 -0.8 55.6 2.2 27.8 47 48 A I T 3 S+ 0 0 4 1,-0.3 200,-0.2 2,-0.1 199,-0.1 -0.647 102.0 4.0 -77.4 106.2 58.5 1.3 25.4 48 49 A G T 3 S+ 0 0 49 198,-1.2 -1,-0.3 -2,-1.0 199,-0.1 0.458 130.2 70.5 95.4 6.1 60.3 -1.3 27.5 49 50 A K S < S- 0 0 136 -3,-1.9 197,-0.2 198,-0.1 -2,-0.1 -0.488 78.1-148.1-152.8 70.1 57.5 -1.1 30.1 50 51 A P - 0 0 52 0, 0.0 194,-0.2 0, 0.0 193,-0.1 -0.183 2.5-152.1 -49.6 125.6 54.3 -2.6 28.9 51 52 A G S S+ 0 0 5 192,-1.0 129,-0.4 154,-0.1 193,-0.2 0.475 84.7 71.1 -80.1 -6.3 51.5 -0.6 30.6 52 53 A I S S- 0 0 0 191,-1.2 126,-0.1 127,-0.1 127,-0.1 -0.982 89.8-134.0-106.7 118.7 49.2 -3.7 30.3 53 54 A P S S+ 0 0 94 0, 0.0 2,-0.4 0, 0.0 125,-0.1 0.638 83.1 45.9 -51.7 -26.2 50.6 -6.3 32.8 54 55 A R S S- 0 0 123 123,-0.3 2,-0.1 -3,-0.0 -3,-0.0 -0.962 86.8-109.0-125.0 147.2 50.4 -9.3 30.4 55 56 A K - 0 0 125 -2,-0.4 2,-0.3 190,-0.1 190,-0.1 -0.411 36.6-168.1 -68.3 137.1 51.5 -9.8 26.8 56 57 A Y - 0 0 10 185,-0.3 2,-0.3 -2,-0.1 188,-0.1 -0.919 14.2-143.8-126.2 150.3 48.7 -10.1 24.2 57 58 A T > - 0 0 71 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.736 36.3-105.3-101.5 161.2 48.5 -11.2 20.6 58 59 A L H > S+ 0 0 19 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.941 123.9 49.4 -44.4 -57.1 46.1 -9.6 18.0 59 60 A D H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.878 111.4 49.6 -53.4 -45.3 43.9 -12.6 18.2 60 61 A E H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 115.4 42.4 -60.8 -43.9 43.9 -12.5 22.0 61 62 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.923 111.5 52.7 -72.8 -46.3 43.0 -8.8 22.2 62 63 A R H X S+ 0 0 22 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.971 115.2 41.9 -50.7 -59.8 40.4 -8.8 19.4 63 64 A E H X S+ 0 0 48 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.899 111.9 56.2 -57.4 -43.8 38.5 -11.7 21.1 64 65 A K H X S+ 0 0 60 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.934 112.4 41.3 -53.1 -49.3 39.1 -10.1 24.5 65 66 A F H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 5,-0.2 0.927 117.2 46.9 -64.5 -49.7 37.4 -6.9 23.4 66 67 A L H X S+ 0 0 15 -4,-2.9 4,-2.0 -5,-0.3 -2,-0.2 0.887 113.2 50.0 -63.4 -36.4 34.6 -8.6 21.5 67 68 A R H X S+ 0 0 128 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.972 106.3 53.9 -67.3 -53.6 33.9 -11.0 24.4 68 69 A F H < S+ 0 0 20 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.860 115.8 39.0 -46.7 -47.4 33.7 -8.3 27.1 69 70 A F H >< S+ 0 0 0 -4,-1.6 8,-1.9 2,-0.2 3,-0.6 0.845 115.0 52.5 -79.0 -32.0 31.1 -6.3 25.2 70 71 A E H 3< S+ 0 0 69 -4,-2.0 -2,-0.2 6,-0.2 -1,-0.2 0.887 116.6 38.6 -67.7 -41.2 29.1 -9.4 24.0 71 72 A K T 3< S+ 0 0 131 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.191 82.2 143.1 -94.9 11.8 28.8 -10.9 27.4 72 73 A H < - 0 0 16 -3,-0.6 -3,-0.1 3,-0.3 -4,-0.0 -0.278 45.5-145.0 -63.3 137.3 28.2 -7.7 29.4 73 74 A E S S+ 0 0 187 2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 0.819 95.0 26.8 -77.2 -29.1 25.7 -8.1 32.2 74 75 A I S S+ 0 0 120 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.810 137.1 22.1 -99.6 -38.4 24.1 -4.7 32.0 75 76 A Y S S- 0 0 64 2,-0.0 -3,-0.3 -6,-0.0 -1,-0.2 -0.636 73.6-173.7-127.9 76.5 24.6 -3.8 28.3 76 77 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.467 12.2-151.5 -68.9 142.5 25.2 -6.9 26.1 77 78 A H - 0 0 4 -8,-1.9 2,-0.3 -11,-0.2 42,-0.3 -0.923 15.4-117.6-111.3 140.3 26.2 -6.2 22.5 78 79 A G E -c 119 0A 29 40,-1.9 42,-2.9 -2,-0.4 2,-0.3 -0.566 30.6-127.1 -67.1 133.4 25.6 -8.3 19.4 79 80 A R E -c 120 0A 81 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.673 27.6-158.9 -84.9 136.4 28.8 -9.4 17.7 80 81 A V - 0 0 12 40,-2.0 42,-0.5 -2,-0.3 2,-0.1 -0.978 19.1-115.9-130.8 128.7 28.9 -8.5 14.0 81 82 A K - 0 0 187 -2,-0.4 42,-0.1 1,-0.1 40,-0.0 -0.388 44.9-103.2 -58.9 130.1 31.1 -10.0 11.2 82 83 A R - 0 0 41 40,-0.2 -1,-0.1 -2,-0.1 41,-0.1 -0.086 34.9-124.7 -55.1 155.8 33.4 -7.4 9.8 83 84 A Y - 0 0 7 1,-0.2 -1,-0.1 41,-0.1 19,-0.0 -0.580 35.0 -83.7 -98.5 164.4 32.5 -5.8 6.5 84 85 A P - 0 0 27 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.277 31.1-125.8 -63.4 157.6 34.7 -5.7 3.4 85 86 A V S S+ 0 0 0 249,-0.2 11,-2.8 1,-0.1 41,-0.2 0.587 101.0 77.7 -77.1 -10.3 37.2 -2.9 3.3 86 87 A L S S- 0 0 28 9,-0.2 2,-1.1 252,-0.1 9,-0.2 -0.895 91.3-132.1-101.9 108.5 35.6 -2.1 -0.1 87 88 A P > + 0 0 11 0, 0.0 3,-0.7 0, 0.0 6,-0.2 -0.456 35.0 168.2 -71.8 96.7 32.3 -0.3 0.7 88 89 A R T 3 S+ 0 0 33 -2,-1.1 -3,-0.0 1,-0.2 587,-0.0 0.694 71.5 62.8 -77.3 -21.1 29.7 -2.1 -1.4 89 90 A W T 3 S+ 0 0 4 -3,-0.1 2,-0.3 15,-0.1 -1,-0.2 0.425 110.3 30.2 -86.6 -0.5 26.8 -0.4 0.4 90 91 A R < - 0 0 23 -3,-0.7 3,-0.1 3,-0.1 585,-0.0 -0.979 58.5-150.0-155.4 160.3 27.7 3.2 -0.6 91 92 A D S S+ 0 0 132 -2,-0.3 -3,-0.1 1,-0.1 3,-0.0 0.142 78.7 79.7-122.3 19.0 29.5 5.0 -3.5 92 93 A D S S+ 0 0 98 1,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.481 88.2 50.4-114.6 -9.7 31.0 8.0 -1.9 93 94 A V - 0 0 46 -6,-0.2 -3,-0.1 1,-0.1 3,-0.1 -0.974 62.8-148.0-130.5 153.4 34.2 6.5 -0.3 94 95 A L S S+ 0 0 33 -2,-0.3 2,-0.3 1,-0.2 253,-0.2 0.835 81.1 10.2 -82.6 -39.7 36.9 4.3 -1.8 95 96 A L S S- 0 0 19 -9,-0.2 2,-0.3 31,-0.1 -1,-0.2 -0.975 82.5 -97.6-144.1 151.3 37.8 2.2 1.3 96 97 A V + 0 0 0 -11,-2.8 30,-3.3 -2,-0.3 3,-0.1 -0.549 39.8 173.6 -69.6 125.8 36.4 1.6 4.8 97 98 A G + 0 0 5 1,-0.3 2,-0.3 -2,-0.3 28,-0.2 0.483 63.1 11.6-110.2 0.4 38.5 3.9 7.1 98 99 A A S > S- 0 0 15 26,-0.2 3,-1.6 1,-0.1 4,-0.4 -0.949 77.1-106.8-176.9 141.5 36.6 3.4 10.4 99 100 A S G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.883 114.0 65.0 -54.5 -38.8 34.0 1.1 11.8 100 101 A I G > S+ 0 0 8 1,-0.3 3,-2.2 133,-0.2 4,-0.3 0.810 87.4 71.1 -55.4 -25.6 31.3 3.8 11.7 101 102 A M G X S+ 0 0 46 -3,-1.6 3,-0.8 1,-0.3 -1,-0.3 0.763 84.1 68.8 -68.6 -20.9 31.6 3.8 7.9 102 103 A D G < S+ 0 0 6 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.689 105.8 41.9 -59.1 -19.5 29.9 0.3 7.9 103 104 A F G <>>S+ 0 0 1 -3,-2.2 5,-1.7 -4,-0.3 4,-0.7 0.287 91.3 131.6-124.0 4.0 26.7 2.1 9.0 104 105 A Q T <45 - 0 0 29 -3,-0.8 2,-0.2 -4,-0.3 -15,-0.1 -0.843 69.5 -3.5 -99.2 147.6 26.7 5.3 6.9 105 106 A P T >5S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 6,-0.2 -0.909 130.9 39.1 -85.0 -24.3 24.5 6.5 5.3 106 107 A W T 4>S+ 0 0 39 1,-0.2 6,-1.7 2,-0.2 5,-0.6 0.748 115.5 43.5 -68.1 -36.7 21.6 4.0 5.7 107 108 A V T ><5S+ 0 0 9 -4,-0.7 3,-0.9 4,-0.2 -1,-0.2 0.919 115.7 48.2 -75.8 -39.9 21.7 2.9 9.3 108 109 A I T 34 S+ 0 0 20 -2,-0.4 3,-1.1 1,-0.2 4,-0.2 0.591 73.2 74.8 -88.4 -9.0 46.1 6.3 2.9 129 130 A T T 3 S+ 0 0 76 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.845 96.9 48.9 -75.6 -30.7 46.7 9.7 4.3 130 131 A D T > S+ 0 0 51 1,-0.2 3,-2.2 -3,-0.2 4,-0.4 0.424 81.2 110.7 -78.1 1.5 49.1 8.4 6.9 131 132 A I G X + 0 0 0 -3,-1.1 3,-2.0 1,-0.3 -1,-0.2 0.836 69.4 55.0 -56.1 -44.0 51.0 6.4 4.2 132 133 A D G 3 S+ 0 0 19 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.633 106.3 55.7 -63.4 -15.3 54.3 8.5 4.1 133 134 A N G X> S+ 0 0 11 -3,-2.2 4,-1.8 3,-0.1 3,-1.7 0.463 77.8 118.0 -88.7 -8.9 54.6 7.8 7.9 134 135 A V T <4 S+ 0 0 5 -3,-2.0 190,-0.2 -4,-0.4 7,-0.1 -0.488 89.7 1.5 -71.3 123.3 54.4 4.0 7.7 135 136 A G T 34 S+ 0 0 4 5,-0.6 -1,-0.3 -2,-0.3 188,-0.2 0.387 122.6 78.0 87.8 -3.7 57.6 2.5 8.9 136 137 A I T <4 S+ 0 0 23 -3,-1.7 -2,-0.2 4,-0.1 -3,-0.1 0.732 97.3 32.9-108.9 -33.5 59.0 5.9 9.8 137 138 A T S < S- 0 0 2 -4,-1.8 146,-0.2 3,-0.1 -3,-0.1 0.707 97.9-123.2 -97.7 -24.3 57.3 6.8 13.0 138 139 A G S S+ 0 0 3 -5,-0.4 112,-2.8 2,-0.2 113,-0.3 0.355 97.9 54.4 93.8 -3.6 56.9 3.3 14.6 139 140 A R S S+ 0 0 25 -6,-0.3 2,-0.4 110,-0.2 -5,-0.1 0.499 74.9 102.8-139.7 -3.8 53.1 3.5 15.0 140 141 A H - 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0 0 85 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.556 34.8-114.9 -86.4 157.9 75.1 12.0 12.8 309 325 A V H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.720 114.7 58.7 -62.1 -24.0 72.0 11.9 10.6 310 326 A E H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.938 109.8 39.9 -73.4 -48.1 74.0 10.0 7.9 311 327 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.839 116.2 53.5 -71.8 -30.3 74.9 7.1 10.2 312 328 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.981 109.9 46.2 -59.9 -55.8 71.3 7.3 11.6 313 329 A E H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.872 111.9 53.4 -55.1 -39.9 69.9 7.1 8.0 314 330 A K H < S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.7 40.3 -60.0 -42.9 72.4 4.2 7.4 315 331 A A H < S+ 0 0 19 -4,-2.0 4,-0.4 -3,-0.3 -2,-0.2 0.890 122.2 35.5 -81.0 -41.6 71.1 2.3 10.4 316 332 A I H >X S+ 0 0 2 -4,-3.0 4,-2.1 2,-0.1 3,-1.2 0.843 95.8 78.7 -81.9 -37.3 67.3 2.9 10.3 317 333 A R H 3X S+ 0 0 60 -4,-1.8 4,-2.6 -5,-0.3 5,-0.3 0.880 91.3 53.3 -46.0 -53.3 66.5 2.9 6.6 318 334 A P H 3> S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.889 111.4 47.7 -52.9 -35.8 66.6 -0.8 6.2 319 335 A Y H <> S+ 0 0 9 -3,-1.2 4,-3.0 -4,-0.4 5,-0.2 0.943 109.3 53.4 -65.6 -45.2 64.1 -1.1 9.1 320 336 A E H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.941 110.5 47.5 -53.8 -51.0 61.9 1.6 7.5 321 337 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.935 113.1 46.4 -55.8 -52.2 61.8 -0.3 4.2 322 338 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.888 111.7 52.0 -62.1 -38.8 61.0 -3.7 5.8 323 339 A Y H X S+ 0 0 6 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.929 111.5 46.7 -62.9 -46.3 58.2 -2.1 8.1 324 340 A A H X S+ 0 0 2 -4,-2.3 4,-3.4 -5,-0.2 5,-0.3 0.895 111.8 50.1 -59.7 -45.4 56.6 -0.5 5.1 325 341 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.919 112.6 48.8 -59.0 -45.3 56.7 -3.8 3.0 326 342 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.952 116.7 40.5 -58.5 -54.6 55.2 -5.7 5.9 327 343 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.5 0.966 115.7 50.1 -59.7 -55.6 52.4 -3.1 6.4 328 344 A H H X S+ 0 0 0 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.868 109.7 50.7 -58.5 -36.2 51.7 -2.6 2.7 329 345 A T H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.3 -1,-0.2 0.851 108.7 51.4 -71.6 -30.9 51.5 -6.3 2.0 330 346 A K H >X S+ 0 0 6 -4,-1.6 4,-1.8 -3,-0.5 3,-0.7 0.960 110.3 49.8 -64.0 -47.7 49.0 -6.9 4.8 331 347 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.877 108.1 53.2 -59.6 -39.2 46.9 -4.1 3.4 332 348 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.795 103.5 58.1 -68.1 -28.0 47.0 -5.6 -0.0 333 349 A T H S+ 0 0 0 -4,-2.6 5,-2.8 2,-0.2 4,-0.5 0.915 116.1 39.5 -55.3 -47.5 42.1 -5.3 -0.3 336 352 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.5 3,-0.2 -1,-0.2 0.951 115.4 51.8 -70.2 -47.3 42.5 -8.1 -2.8 337 353 A A H 3<5S+ 0 0 10 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.903 109.1 51.1 -50.6 -45.3 40.6 -10.7 -0.8 338 354 A D T 3<5S- 0 0 21 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.539 133.4 -86.2 -81.4 -4.6 37.7 -8.3 -0.4 339 355 A G T < 5S+ 0 0 6 -3,-1.5 2,-0.6 -4,-0.5 -3,-0.2 0.563 70.4 150.9 121.3 13.3 37.6 -7.7 -4.2 340 356 A V < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.2 268,-0.1 -0.615 26.2-161.6 -75.6 119.9 40.0 -4.9 -5.3 341 357 A V - 0 0 12 -2,-0.6 11,-0.1 267,-0.1 10,-0.1 -0.909 27.5-115.7-100.9 115.7 41.4 -5.4 -8.8 342 358 A P + 0 0 6 0, 0.0 2,-0.2 0, 0.0 7,-0.2 -0.134 61.0 123.1 -48.0 141.9 44.5 -3.3 -9.5 343 359 A S S S- 0 0 6 5,-1.0 9,-0.2 3,-0.1 377,-0.1 -0.881 73.4 -79.7-177.1-161.3 44.0 -0.7 -12.1 344 360 A N S S+ 0 0 80 375,-0.5 2,-0.4 -2,-0.2 376,-0.1 0.223 99.2 74.6-114.0 12.8 44.2 3.1 -12.7 345 361 A V S >> S- 0 0 63 374,-0.2 3,-1.4 133,-0.0 4,-0.9 -0.977 97.5 -42.1-130.9 139.0 40.9 4.0 -11.0 346 362 A K H >> S- 0 0 135 131,-0.8 4,-1.4 -2,-0.4 3,-0.8 -0.057 124.0 -4.4 54.6-139.2 39.6 4.2 -7.4 347 363 A A H 3> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.784 131.5 63.7 -62.8 -23.5 40.7 1.4 -5.1 348 364 A G H <> S+ 0 0 6 -3,-1.4 4,-2.8 2,-0.2 -5,-1.0 0.924 103.0 50.4 -57.6 -42.0 42.5 -0.4 -8.1 349 365 A Y H S+ 0 0 5 -4,-2.4 5,-3.0 1,-0.2 4,-0.4 0.860 111.6 48.3 -54.8 -38.7 62.4 -4.5 -1.9 363 379 A R H ><5S+ 0 0 159 -4,-1.8 3,-0.6 3,-0.2 -1,-0.2 0.852 108.7 52.4 -73.2 -34.5 64.7 -3.2 -4.5 364 380 A E H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.835 108.2 52.3 -68.9 -29.9 66.1 -0.5 -2.2 365 381 A L T 3<5S- 0 0 26 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.693 114.9-121.6 -68.4 -18.9 66.8 -3.3 0.3 366 382 A G T < 5 + 0 0 60 -3,-0.6 2,-0.6 -4,-0.4 -3,-0.2 0.724 61.2 153.8 71.8 25.3 68.6 -5.1 -2.4 367 383 A L < - 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0 0 11 -4,-2.0 3,-2.4 -7,-0.1 4,-0.4 -0.603 64.5-179.5-131.0 78.0 40.1 -14.7 8.0 387 403 A P T >> S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-1.4 0.744 74.6 75.3 -46.1 -29.5 39.2 -17.9 6.0 388 404 A E H 3> S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.792 85.3 64.0 -56.3 -29.7 38.6 -15.8 2.9 389 405 A F H <> S+ 0 0 0 -3,-2.4 4,-0.9 2,-0.2 -1,-0.3 0.841 105.6 44.1 -63.0 -35.7 42.3 -15.3 2.5 390 406 A K H <4 S+ 0 0 131 -3,-1.4 3,-0.4 -4,-0.4 4,-0.4 0.945 113.8 50.3 -71.6 -50.1 42.6 -19.1 1.9 391 407 A E H < S+ 0 0 127 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.840 120.4 35.0 -55.0 -37.6 39.6 -19.1 -0.4 392 408 A M H >X S+ 0 0 8 -4,-2.6 4,-2.1 -5,-0.2 3,-1.6 0.605 86.1 109.9 -94.6 -12.1 41.0 -16.2 -2.5 393 409 A E H 3X S+ 0 0 64 -4,-0.9 4,-2.4 -3,-0.4 5,-0.2 0.722 75.7 50.3 -36.0 -48.2 44.7 -17.1 -2.3 394 410 A D H 3> S+ 0 0 133 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.3 0.889 115.1 43.2 -63.9 -38.7 45.2 -18.2 -5.9 395 411 A I H <> S+ 0 0 24 -3,-1.6 4,-2.6 2,-0.2 5,-0.2 0.919 113.0 51.9 -72.8 -44.8 43.6 -15.0 -7.3 396 412 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.933 113.8 43.5 -54.4 -49.3 45.4 -12.7 -4.8 397 413 A L H X S+ 0 0 34 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.870 113.5 51.2 -71.6 -35.0 48.8 -14.2 -5.7 398 414 A E H X S+ 0 0 71 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.880 109.4 50.7 -63.8 -42.1 48.1 -14.2 -9.4 399 415 A M H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.925 111.5 48.5 -65.7 -43.4 47.1 -10.5 -9.3 400 416 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.945 111.7 48.7 -59.6 -48.3 50.3 -9.7 -7.4 401 417 A E H X S+ 0 0 101 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.905 110.9 50.0 -62.7 -44.4 52.5 -11.6 -9.9 402 418 A L H X S+ 0 0 51 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.919 112.3 47.5 -55.7 -47.3 50.8 -10.0 -12.9 403 419 A E H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.912 113.5 48.4 -63.6 -43.3 51.3 -6.6 -11.5 404 420 A E H X S+ 0 0 46 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.931 115.2 44.3 -60.4 -47.2 54.9 -7.4 -10.6 405 421 A K H >X S+ 0 0 150 -4,-3.1 3,-0.8 1,-0.2 4,-0.7 0.948 114.8 47.7 -65.1 -47.1 55.6 -8.7 -14.1 406 422 A K H 3X S+ 0 0 57 -4,-3.3 4,-1.9 1,-0.2 3,-0.3 0.781 104.8 62.8 -67.3 -24.7 53.7 -5.8 -15.9 407 423 A Y H 3X S+ 0 0 4 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.830 92.9 62.7 -65.0 -33.3 55.7 -3.3 -13.7 408 424 A A H X>S+ 0 0 117 -4,-0.7 4,-1.6 -3,-0.3 3,-1.1 0.954 107.4 60.8 -77.9 -56.1 58.0 -3.2 -18.6 410 426 A T H 3X5S+ 0 0 28 -4,-1.9 4,-1.3 1,-0.3 -2,-0.2 0.801 107.3 52.7 -32.9 -38.0 56.2 -0.1 -17.5 411 427 A L H 3X5S+ 0 0 29 -4,-1.4 4,-2.2 2,-0.2 -1,-0.3 0.825 104.9 48.0 -75.3 -41.2 59.6 0.9 -16.1 412 428 A R H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.7 0.974 108.9 57.1 -72.3 -51.5 60.6 10.7 -18.8 419 435 A R H 3X S+ 0 0 86 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.838 108.9 49.8 -43.3 -40.1 64.3 11.2 -19.5 420 436 A R H 3X S+ 0 0 162 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.3 0.878 111.6 45.7 -70.0 -38.3 63.3 12.7 -22.8 421 437 A E H <>S+ 0 0 26 -4,-1.3 5,-1.3 1,-0.2 3,-0.6 0.836 110.1 57.6 -58.9 -33.9 62.1 21.0 -19.5 426 442 A K H ><5S+ 0 0 80 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.851 107.2 44.6 -70.3 -38.4 65.9 21.5 -19.0 427 443 A K T 3<5S+ 0 0 170 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.397 104.2 68.1 -84.2 1.2 66.4 23.4 -22.3 428 444 A K T < 5S- 0 0 156 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.020 126.6-100.2 -99.5 20.7 63.2 25.3 -21.3 429 445 A G T < 5S+ 0 0 70 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.829 80.5 133.6 65.4 37.3 65.2 26.9 -18.5 430 446 A I < + 0 0 44 -5,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 -0.972 22.1 164.6-120.7 131.2 64.0 24.6 -15.7 431 447 A K + 0 0 158 -2,-0.4 31,-0.4 30,-0.1 -1,-0.1 0.017 67.8 54.9-130.9 27.8 66.5 23.0 -13.2 432 448 A E S S- 0 0 100 29,-0.2 32,-0.1 30,-0.1 -2,-0.0 0.750 73.9-142.2-123.5 -65.4 64.0 21.9 -10.4 433 449 A I - 0 0 9 30,-0.1 31,-0.1 -8,-0.1 2,-0.1 0.826 26.2-130.4 76.4 100.3 61.0 19.6 -11.2 434 450 A P >> - 0 0 53 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.425 21.2-103.9 -79.9 153.6 57.9 20.7 -9.1 435 451 A V H 3> S+ 0 0 66 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.858 117.8 58.5 -33.4 -61.1 55.7 18.4 -7.0 436 452 A E H 3> S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.754 107.4 45.2 -44.0 -40.0 52.9 18.4 -9.6 437 453 A K H <> S+ 0 0 84 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.823 108.9 54.4 -82.7 -34.6 55.1 17.0 -12.4 438 454 A L H X S+ 0 0 9 -4,-1.6 4,-1.8 -3,-0.5 -2,-0.2 0.876 109.5 51.1 -58.7 -39.1 56.6 14.3 -10.2 439 455 A V H X S+ 0 0 2 -4,-2.2 4,-3.5 -5,-0.2 -2,-0.2 0.956 109.2 49.1 -61.8 -51.4 53.0 13.3 -9.5 440 456 A T H X S+ 0 0 52 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.825 104.7 59.4 -59.0 -33.0 52.3 13.3 -13.3 441 457 A F H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 6,-1.2 0.952 114.3 36.6 -64.2 -45.4 55.4 11.1 -13.9 442 458 A Y H X S+ 0 0 5 -4,-1.8 4,-1.8 4,-0.3 -2,-0.2 0.957 115.7 55.6 -62.0 -52.5 53.8 8.5 -11.6 443 459 A E H < S+ 0 0 89 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.766 126.4 16.3 -58.6 -30.3 50.3 9.2 -12.8 444 460 A S H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.548 136.4 32.2-125.1 -9.1 51.1 8.5 -16.5 445 461 A H H < S- 0 0 36 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.420 95.0-128.6-122.7 -5.6 54.4 6.7 -16.7 446 462 A G < + 0 0 4 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.3 0.598 56.9 145.6 68.7 15.2 54.1 4.8 -13.5 447 463 A L - 0 0 0 -6,-1.2 -1,-0.2 -33,-0.1 -2,-0.2 -0.669 43.3-137.9 -88.4 139.4 57.5 5.9 -12.2 448 464 A T >> - 0 0 0 -2,-0.3 4,-1.4 -92,-0.1 3,-1.2 -0.646 29.6-106.8 -89.1 151.4 58.1 6.5 -8.5 449 465 A P H 3> S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.689 115.2 63.1 -56.4 -28.4 60.2 9.6 -7.5 450 466 A E H 3> S+ 0 0 37 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.935 107.2 45.8 -59.5 -42.8 63.4 7.6 -6.5 451 467 A I H <> S+ 0 0 4 -3,-1.2 4,-1.4 1,-0.2 3,-0.2 0.918 110.9 52.4 -66.5 -43.8 63.6 6.5 -10.2 452 468 A V H X S+ 0 0 4 -4,-1.4 4,-2.8 1,-0.2 3,-0.2 0.906 105.1 56.5 -57.8 -44.4 63.0 9.9 -11.6 453 469 A K H X S+ 0 0 77 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.849 105.9 46.2 -65.4 -38.1 65.7 11.5 -9.5 454 470 A E H < S+ 0 0 91 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.775 115.3 48.9 -77.4 -23.0 68.6 9.3 -10.7 455 471 A I H < S+ 0 0 10 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.911 115.2 45.8 -69.2 -45.4 67.5 9.8 -14.2 456 472 A A H ><>S+ 0 0 0 -4,-2.8 2,-1.8 1,-0.2 3,-1.7 0.989 106.5 54.9 -66.7 -65.9 67.3 13.6 -13.6 457 473 A E T 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 5,-0.1 -0.587 94.9 71.2 -68.5 91.3 70.6 14.1 -11.8 458 474 A K T 3 5S+ 0 0 171 -2,-1.8 -1,-0.3 -3,-0.0 -2,-0.1 0.035 107.5 33.9 169.0 0.8 72.4 12.5 -14.7 459 475 A E T < 5S- 0 0 60 -3,-1.7 -2,-0.2 2,-0.2 -3,-0.1 -0.014 125.7 -85.0-159.6 41.7 71.7 15.5 -16.9 460 476 A G T 5S+ 0 0 62 1,-0.2 2,-0.3 -29,-0.0 -3,-0.2 0.777 84.5 125.6 66.8 35.4 71.8 18.5 -14.5 461 477 A V < - 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