==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-OCT-05 2D5B . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KONNO,R.TAKEDA,R.TAKASAKA,Y.MORI,R.ISHII,S.YOKOYAMA,RIKEN . 500 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.2 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 . 1 0.2 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-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 . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 4.2 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 2 3 3 0 0 1 0 1 0 1 1 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 3 3 1 0 0 0 0 0 0 1 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 2 1 0 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 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 1 A M 0 0 230 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 20.9 32.7 3.5 26.3 2 2 A E - 0 0 169 1,-0.1 2,-0.8 39,-0.0 39,-0.1 -0.636 360.0-134.9 -75.9 124.0 36.0 5.0 27.3 3 3 A K + 0 0 93 -2,-0.4 39,-3.1 37,-0.2 2,-0.4 -0.741 36.2 164.4 -87.8 110.7 35.8 6.3 30.8 4 4 A V E -a 42 0A 15 -2,-0.8 2,-0.4 37,-0.2 39,-0.2 -0.976 16.2-174.3-128.7 140.1 37.5 9.8 31.0 5 5 A F E +a 43 0A 1 37,-2.5 39,-2.2 -2,-0.4 2,-0.4 -0.997 2.7 179.4-136.8 129.2 37.3 12.5 33.6 6 6 A Y E +ab 44 253A 0 246,-0.9 248,-1.7 -2,-0.4 2,-0.4 -0.989 6.8 173.6-131.8 121.3 38.8 15.9 33.4 7 7 A V E -ab 45 254A 0 37,-2.3 39,-2.9 -2,-0.4 2,-0.3 -0.984 6.8-171.1-130.6 141.9 38.5 18.5 36.1 8 8 A T E -ab 46 255A 0 246,-2.1 248,-2.2 -2,-0.4 39,-0.2 -0.907 9.3-154.0-127.6 157.5 40.0 21.9 36.5 9 9 A T - 0 0 0 37,-1.2 248,-0.1 -2,-0.3 2,-0.1 -0.816 42.6 -84.8-121.1 163.4 40.2 24.5 39.3 10 10 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 38,-0.4 -0.427 41.0-120.5 -69.3 145.4 40.6 28.2 38.8 11 11 A I - 0 0 20 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.770 38.4-137.2 -84.1 130.6 44.3 29.2 38.5 12 12 A Y E -c 49 0A 23 36,-1.7 38,-3.0 -2,-0.5 2,-0.1 -0.513 24.9 -82.7 -92.8 157.3 44.8 31.7 41.3 13 13 A Y E > -c 50 0A 80 36,-0.2 3,-1.9 -2,-0.2 38,-0.2 -0.378 46.7-133.3 -53.4 121.3 46.6 35.0 41.6 14 14 A V T 3 S+ 0 0 0 36,-2.3 64,-0.2 1,-0.3 63,-0.2 0.763 99.8 43.4 -55.2 -32.7 50.2 33.8 42.1 15 15 A N T 3 S+ 0 0 46 35,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.304 88.3 120.6 -98.1 10.1 51.0 36.1 45.0 16 16 A A S < S- 0 0 20 -3,-1.9 -4,-0.0 1,-0.1 61,-0.0 -0.397 72.1-111.8 -74.0 149.1 47.7 35.7 46.8 17 17 A E - 0 0 157 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.720 38.7-116.4 -80.0 118.4 47.6 34.3 50.3 18 18 A P + 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.345 47.2 176.3 -56.8 131.0 46.0 30.9 50.1 19 19 A H > - 0 0 97 288,-0.1 4,-2.5 289,-0.1 5,-0.2 -0.665 46.3 -79.5-129.2-175.4 42.7 30.9 52.0 20 20 A L H > S+ 0 0 5 286,-0.4 4,-2.8 1,-0.2 5,-0.2 0.830 124.9 54.7 -55.8 -36.9 39.6 28.8 52.8 21 21 A G H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.932 109.6 45.5 -64.5 -46.2 38.0 29.5 49.5 22 22 A H H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.930 114.6 50.2 -61.0 -45.4 41.1 28.3 47.5 23 23 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.921 109.8 49.0 -59.3 -49.1 41.2 25.3 49.8 24 24 A Y H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.943 111.0 47.6 -58.1 -54.5 37.6 24.3 49.5 25 25 A T H X S+ 0 0 12 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.895 115.8 45.6 -55.2 -43.5 37.4 24.5 45.7 26 26 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.863 110.9 52.1 -70.4 -37.1 40.6 22.4 45.3 27 27 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.881 110.2 49.8 -66.3 -38.5 39.5 19.9 47.9 28 28 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 111.2 47.9 -66.0 -44.1 36.3 19.4 46.0 29 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.912 111.1 52.1 -62.1 -41.7 38.1 18.9 42.7 30 30 A D H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.899 107.7 51.1 -62.7 -39.7 40.4 16.5 44.4 31 31 A F H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.955 112.4 47.1 -61.7 -47.9 37.5 14.5 45.7 32 32 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.922 115.3 45.1 -57.9 -48.3 36.0 14.4 42.2 33 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.952 115.2 46.6 -62.4 -51.0 39.3 13.3 40.7 34 34 A R H X S+ 0 0 58 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.908 112.2 52.0 -59.7 -41.6 40.1 10.7 43.3 35 35 A W H X S+ 0 0 3 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.937 111.3 45.4 -61.5 -47.9 36.6 9.3 43.1 36 36 A H H <>S+ 0 0 2 -4,-2.4 5,-2.8 2,-0.2 -1,-0.2 0.900 112.5 50.4 -65.8 -37.6 36.7 8.9 39.3 37 37 A R H ><5S+ 0 0 73 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.920 109.5 52.0 -63.5 -41.2 40.2 7.4 39.4 38 38 A L H 3<5S+ 0 0 27 -4,-2.4 437,-2.8 1,-0.3 438,-0.5 0.817 107.8 53.4 -62.9 -30.0 38.9 5.0 42.1 39 39 A D T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 435,-0.2 -2,-0.2 0.132 127.3 -98.9 -93.2 19.5 36.0 4.2 39.7 40 40 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.620 71.1 149.4 77.6 15.6 38.4 3.3 36.8 41 41 A Y < - 0 0 54 -5,-2.8 2,-0.8 -6,-0.1 -37,-0.2 -0.581 55.2-120.3 -83.5 143.8 38.4 6.6 34.9 42 42 A R E -a 4 0A 140 -39,-3.1 -37,-2.5 -2,-0.2 2,-0.4 -0.767 52.2-162.8 -78.1 114.9 41.4 7.8 32.9 43 43 A T E -a 5 0A 17 -2,-0.8 2,-0.4 -39,-0.2 -37,-0.2 -0.855 32.3-176.7-118.8 143.1 41.7 11.1 34.9 44 44 A F E -a 6 0A 33 -39,-2.2 -37,-2.3 -2,-0.4 2,-0.5 -0.992 8.2-173.0-132.9 124.2 43.3 14.5 34.6 45 45 A F E -a 7 0A 0 -2,-0.4 45,-2.7 -39,-0.2 46,-1.3 -0.974 11.7-162.7-121.7 114.7 43.0 17.0 37.4 46 46 A L E +ad 8 91A 0 -39,-2.9 -37,-1.2 -2,-0.5 2,-0.3 -0.799 18.7 155.7-106.1 141.9 44.4 20.5 36.7 47 47 A T E + d 0 92A 0 44,-1.7 46,-2.9 -2,-0.4 2,-0.3 -0.874 13.7 136.5-145.5 174.2 45.4 23.3 39.0 48 48 A G E - d 0 93A 0 -38,-0.4 -36,-1.7 44,-0.3 2,-0.4 -0.998 40.6 -81.5 169.5-171.0 47.7 26.3 38.7 49 49 A T E -cd 12 94A 0 44,-2.2 46,-1.7 -2,-0.3 2,-0.8 -0.980 22.7-133.8-131.6 141.2 48.7 30.0 39.2 50 50 A D E +c 13 0A 30 -38,-3.0 -36,-2.3 -2,-0.4 -35,-0.2 -0.839 31.6 170.7 -91.0 110.0 47.9 33.1 37.2 51 51 A E + 0 0 0 -2,-0.8 2,-0.2 -38,-0.2 -1,-0.1 0.175 41.8 84.5-112.1 18.9 51.3 34.8 37.0 52 52 A H + 0 0 21 174,-0.1 4,-0.3 4,-0.1 161,-0.2 -0.657 51.0 71.4-114.5 173.3 50.8 37.7 34.5 53 53 A G S > S- 0 0 3 159,-2.2 4,-1.7 -2,-0.2 5,-0.1 -0.251 83.4 -82.0 108.0 162.7 49.5 41.2 34.7 54 54 A E H > S+ 0 0 32 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.796 121.6 62.5 -73.7 -29.0 50.7 44.6 36.1 55 55 A T H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.957 107.5 43.2 -60.8 -49.4 49.6 43.7 39.7 56 56 A V H > S+ 0 0 1 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.941 114.7 51.7 -58.9 -48.1 52.0 40.8 39.8 57 57 A Y H X S+ 0 0 62 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.904 111.4 45.2 -56.2 -47.0 54.7 42.9 38.2 58 58 A R H X S+ 0 0 98 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.813 108.4 57.7 -70.2 -28.6 54.3 45.7 40.7 59 59 A A H X S+ 0 0 20 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.931 108.1 47.5 -65.7 -43.2 54.3 43.3 43.6 60 60 A A H X>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 4,-0.5 0.928 112.1 49.2 -62.2 -46.5 57.6 42.0 42.4 61 61 A Q H ><5S+ 0 0 109 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.922 112.0 48.2 -59.7 -44.5 59.0 45.5 42.1 62 62 A A H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.5 51.9 -63.5 -36.4 57.7 46.4 45.5 63 63 A A H 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.536 115.0-120.5 -77.2 -6.3 59.3 43.2 46.9 64 64 A G T <<5S+ 0 0 68 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.765 71.3 126.0 72.3 26.5 62.6 44.2 45.2 65 65 A E S - 0 0 98 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.491 40.1-122.3 -66.5 137.8 62.9 40.3 39.4 67 67 A P H > S+ 0 0 21 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.894 109.2 43.9 -51.5 -49.6 59.4 39.4 38.2 68 68 A K H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.914 116.7 47.5 -64.9 -41.5 60.1 35.9 36.8 69 69 A A H > S+ 0 0 43 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.876 111.1 53.9 -64.9 -37.8 62.2 35.2 39.9 70 70 A F H X S+ 0 0 5 -4,-2.9 4,-2.8 2,-0.2 3,-0.3 0.963 112.1 40.9 -61.6 -54.8 59.3 36.5 42.0 71 71 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.862 109.7 60.2 -64.5 -34.0 56.6 34.3 40.5 72 72 A D H < S+ 0 0 69 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.891 115.1 36.3 -58.6 -38.7 59.0 31.4 40.5 73 73 A R H >< S+ 0 0 134 -4,-1.6 3,-1.6 -3,-0.3 4,-0.2 0.963 117.4 45.5 -79.5 -58.1 59.2 31.8 44.3 74 74 A V H >X S+ 0 0 2 -4,-2.8 3,-1.6 1,-0.3 4,-0.5 0.729 99.9 69.1 -62.7 -23.5 55.7 32.8 45.4 75 75 A S H >X S+ 0 0 1 -4,-1.9 4,-1.5 -5,-0.3 3,-0.7 0.805 86.7 71.0 -65.1 -24.8 54.0 30.2 43.2 76 76 A G H <> S+ 0 0 24 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.3 0.708 83.3 71.0 -63.4 -18.6 55.5 27.7 45.7 77 77 A R H <> S+ 0 0 64 -3,-1.6 4,-2.1 -4,-0.2 -1,-0.2 0.929 102.0 41.0 -64.9 -45.8 53.0 28.9 48.3 78 78 A F H S+ 0 0 1 -4,-2.4 5,-3.1 2,-0.2 4,-0.4 0.842 110.4 51.1 -70.4 -31.9 48.1 21.6 48.0 83 83 A D H ><5S+ 0 0 114 -4,-1.7 3,-1.3 3,-0.2 -2,-0.2 0.955 111.1 48.4 -67.6 -47.9 50.7 19.4 49.5 84 84 A L H 3<5S+ 0 0 70 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.892 113.6 46.9 -57.9 -41.2 49.5 20.2 53.0 85 85 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.489 113.9-118.9 -81.0 -2.6 45.9 19.5 51.9 86 86 A G T < 5 + 0 0 9 -3,-1.3 2,-0.6 -4,-0.4 -3,-0.2 0.888 46.4 175.8 67.5 41.7 46.9 16.3 50.2 87 87 A I < - 0 0 14 -5,-3.1 2,-1.4 -6,-0.1 -1,-0.2 -0.695 20.9-158.1 -84.5 115.9 45.8 17.3 46.7 88 88 A A + 0 0 31 -2,-0.6 2,-0.1 -58,-0.0 -43,-0.1 -0.537 28.2 165.3 -93.4 71.4 46.6 14.7 44.1 89 89 A Y - 0 0 72 -2,-1.4 -43,-0.2 1,-0.1 3,-0.1 -0.468 37.4-142.3 -84.0 158.3 46.6 16.9 41.0 90 90 A D S S+ 0 0 72 -45,-2.7 2,-0.3 1,-0.3 -44,-0.2 0.727 81.3 9.8 -91.6 -24.6 48.1 15.8 37.7 91 91 A D E -d 46 0A 38 -46,-1.3 -44,-1.7 2,-0.0 2,-0.5 -0.993 52.5-152.6-155.8 149.1 49.5 19.1 36.7 92 92 A F E -d 47 0A 12 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.3 -0.944 27.5-155.1-123.4 100.6 50.2 22.6 38.2 93 93 A I E -d 48 0A 0 -46,-2.9 -44,-2.2 -2,-0.5 2,-0.5 -0.683 8.5-165.3 -87.1 129.4 50.1 25.0 35.3 94 94 A R E > -d 49 0A 36 -2,-0.4 3,-2.3 -46,-0.2 6,-0.2 -0.962 20.3-138.2-112.3 125.4 52.0 28.3 35.6 95 95 A T T 3 S+ 0 0 0 -46,-1.7 -45,-0.1 -2,-0.5 -1,-0.1 0.537 99.2 69.3 -63.1 -6.8 51.0 30.9 33.0 96 96 A T T 3 S+ 0 0 21 4,-0.1 -1,-0.3 -28,-0.1 2,-0.1 0.506 76.2 115.5 -85.7 -5.6 54.7 31.9 32.5 97 97 A E S X> S- 0 0 51 -3,-2.3 4,-1.9 1,-0.1 3,-0.6 -0.375 73.4-128.9 -64.9 140.2 55.3 28.5 30.9 98 98 A E H 3> S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 107.0 57.3 -58.3 -41.6 56.2 28.6 27.2 99 99 A R H 3> S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 107.4 49.5 -61.6 -30.8 53.6 26.1 26.2 100 100 A H H <> S+ 0 0 0 -3,-0.6 4,-2.6 -6,-0.2 5,-0.2 0.931 108.9 52.0 -71.7 -44.4 51.0 28.5 27.6 101 101 A K H X S+ 0 0 75 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.906 110.5 48.8 -56.8 -43.9 52.5 31.4 25.8 102 102 A K H X S+ 0 0 146 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.884 111.4 48.1 -66.5 -39.1 52.3 29.6 22.5 103 103 A V H X S+ 0 0 6 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.920 110.9 50.4 -68.3 -42.8 48.7 28.4 23.0 104 104 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 113.8 45.7 -61.9 -41.1 47.5 31.9 23.9 105 105 A Q H X S+ 0 0 42 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.853 112.7 50.2 -71.0 -33.6 49.2 33.4 20.8 106 106 A L H X S+ 0 0 64 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 112.7 46.3 -69.7 -42.0 47.9 30.6 18.6 107 107 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.904 111.3 51.6 -67.0 -40.6 44.3 31.1 19.8 108 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.917 109.1 51.7 -61.2 -41.8 44.6 34.9 19.5 109 109 A K H X S+ 0 0 114 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.902 109.5 50.1 -61.5 -40.6 45.8 34.4 15.9 110 110 A K H X S+ 0 0 77 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.914 112.2 45.6 -64.0 -45.4 42.8 32.2 15.2 111 111 A V H <>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 6,-0.3 0.870 113.5 51.6 -65.5 -37.2 40.3 34.7 16.6 112 112 A Y H ><5S+ 0 0 109 -4,-2.4 3,-2.3 -5,-0.2 5,-0.4 0.955 109.3 47.9 -64.2 -51.7 42.1 37.4 14.6 113 113 A E H 3<5S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.695 103.3 63.7 -63.9 -17.4 41.9 35.5 11.4 114 114 A A T 3<5S- 0 0 44 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.465 117.3-117.3 -83.5 -1.5 38.2 34.9 12.1 115 115 A G T < 5S+ 0 0 40 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.705 80.9 123.9 74.0 21.9 37.9 38.7 11.8 116 116 A D < + 0 0 0 -5,-2.1 46,-2.7 159,-0.1 2,-0.4 0.330 52.4 82.0 -95.8 7.6 36.8 39.0 15.5 117 117 A 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50.4 -55.5 -49.3 36.0 15.4 55.5 323 323 A Y H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.920 111.2 47.1 -56.7 -48.3 34.4 18.4 57.3 324 324 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.907 116.9 43.1 -63.1 -40.9 34.3 20.6 54.2 325 325 A L H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.823 119.5 43.4 -74.4 -31.6 32.9 17.9 52.0 326 326 A R H < S+ 0 0 44 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.876 123.3 31.3 -82.5 -39.6 30.4 16.7 54.6 327 327 A E H < S+ 0 0 51 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.554 105.0 71.9 -99.9 -8.0 29.1 20.0 55.9 328 328 A I S < S- 0 0 5 -4,-1.3 2,-0.3 -5,-0.3 -1,-0.1 -0.831 70.1-147.5-114.9 98.1 29.3 22.4 52.9 329 329 A P > - 0 0 20 0, 0.0 3,-1.9 0, 0.0 -41,-0.2 -0.435 33.9-110.2 -61.5 119.5 26.7 21.7 50.1 330 330 A Y T 3 S+ 0 0 13 68,-0.4 -43,-0.1 -2,-0.3 -44,-0.1 -0.294 99.2 23.2 -56.0 125.4 28.5 22.6 46.9 331 331 A G T 3 S+ 0 0 9 1,-0.2 2,-0.4 -46,-0.1 -1,-0.2 0.087 101.1 92.4 108.4 -24.2 27.0 25.8 45.4 332 332 A Q S < S- 0 0 119 -3,-1.9 -44,-0.2 -44,-0.2 -1,-0.2 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2,-0.3 0.819 114.2 106.9 61.8 32.1 43.8 -11.7 66.3 371 371 A R B < S-O 488 0F 99 -3,-1.4 -1,-0.2 -7,-0.6 97,-0.0 -0.929 81.0 -98.9-137.0 159.3 42.8 -12.6 62.7 372 372 A I - 0 0 0 115,-2.4 67,-0.1 -2,-0.3 63,-0.0 -0.678 51.8-119.5 -76.9 129.9 40.0 -11.8 60.4 373 373 A P - 0 0 12 0, 0.0 114,-0.1 0, 0.0 -1,-0.1 0.009 39.5 -71.6 -63.0 175.1 37.5 -14.7 60.6 374 374 A E - 0 0 141 1,-0.1 65,-0.1 112,-0.1 111,-0.1 -0.469 65.6 -94.0 -68.9 139.6 36.5 -17.0 57.7 375 375 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.253 48.7 178.8 -58.2 139.6 34.2 -15.1 55.3 376 376 A V - 0 0 48 60,-0.2 106,-0.0 -3,-0.1 0, 0.0 -0.913 39.3 -78.5-135.8 161.2 30.5 -15.5 55.8 377 377 A A - 0 0 64 -2,-0.3 63,-0.1 1,-0.1 4,-0.1 -0.180 39.8-125.1 -57.4 156.5 27.5 -14.0 54.0 378 378 A G > - 0 0 3 1,-0.2 3,-2.0 2,-0.1 -1,-0.1 0.692 34.0-177.6 -81.5 -20.1 26.7 -10.4 54.9 379 379 A E G > S- 0 0 111 1,-0.3 3,-1.3 2,-0.2 4,-0.3 -0.356 75.7 -1.2 58.3-129.9 23.0 -10.8 55.9 380 380 A E G > S+ 0 0 89 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.762 138.7 54.1 -61.9 -26.5 21.6 -7.3 56.9 381 381 A L G X S+ 0 0 8 -3,-2.0 3,-2.0 1,-0.2 -1,-0.3 0.593 82.5 87.2 -85.7 -10.9 25.0 -5.7 56.2 382 382 A A G X S+ 0 0 31 -3,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.780 71.9 75.0 -59.7 -26.9 25.3 -7.1 52.7 383 383 A E G X S+ 0 0 152 -3,-0.5 3,-2.1 -4,-0.3 4,-0.3 0.647 73.0 83.8 -63.1 -9.8 23.4 -4.1 51.3 384 384 A G G X S+ 0 0 1 -3,-2.0 3,-1.3 1,-0.3 4,-0.4 0.770 77.1 69.1 -63.0 -22.4 26.6 -2.1 51.9 385 385 A T G < S+ 0 0 36 -3,-2.1 4,-0.3 1,-0.2 -1,-0.3 0.607 93.2 58.4 -71.4 -10.7 27.7 -3.4 48.5 386 386 A G G <> S+ 0 0 36 -3,-2.1 4,-1.3 1,-0.1 -1,-0.2 0.509 80.9 86.8 -95.7 -5.5 25.0 -1.3 46.9 387 387 A L H <> S+ 0 0 19 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.885 81.9 57.8 -62.0 -40.7 26.3 2.0 48.2 388 388 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 90,-0.3 -1,-0.2 0.945 106.4 49.3 -56.0 -49.2 28.7 2.7 45.4 389 389 A G H 4 S+ 0 0 38 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 113.6 46.8 -59.1 -33.7 25.9 2.5 42.8 390 390 A R H X S+ 0 0 137 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.843 114.0 47.9 -77.1 -33.5 23.9 4.9 44.9 391 391 A L H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.797 93.6 74.2 -79.7 -28.6 26.8 7.3 45.4 392 392 A R H X S+ 0 0 56 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.932 101.4 41.7 -51.0 -53.6 28.0 7.5 41.8 393 393 A P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.867 112.5 55.2 -64.4 -34.1 25.1 9.8 40.7 394 394 A L H <>S+ 0 0 21 -4,-0.7 5,-3.2 2,-0.2 -2,-0.2 0.934 110.6 45.3 -63.1 -45.0 25.3 11.8 43.9 395 395 A V H ><5S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.935 111.9 51.5 -63.8 -45.8 29.0 12.6 43.2 396 396 A R H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.8 50.9 -62.8 -26.9 28.3 13.4 39.6 397 397 A E T 3<5S- 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.213 120.3-108.5 -96.9 16.5 25.6 15.8 40.6 398 398 A L T < 5S+ 0 0 8 -3,-1.8 2,-0.5 1,-0.1 -68,-0.4 0.755 77.6 134.0 65.2 29.2 27.8 17.6 43.1 399 399 A K >< + 0 0 80 -5,-3.2 4,-2.0 1,-0.2 3,-0.4 -0.417 13.8 148.2-104.1 56.0 26.0 16.2 46.1 400 400 A F H > + 0 0 2 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.852 69.0 55.9 -58.6 -37.7 29.2 15.3 48.0 401 401 A H H > S+ 0 0 41 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.873 107.9 47.8 -64.9 -37.0 27.6 15.9 51.4 402 402 A V H > S+ 0 0 35 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.905 111.0 52.0 -69.9 -39.7 24.8 13.5 50.6 403 403 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.941 112.1 44.3 -60.1 -51.0 27.3 10.9 49.4 404 404 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.900 110.7 56.3 -62.3 -39.9 29.3 11.1 52.6 405 405 A E H X S+ 0 0 97 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.919 108.7 46.5 -57.9 -44.8 26.1 11.1 54.7 406 406 A E H X S+ 0 0 46 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.886 112.4 49.5 -66.7 -38.2 25.1 7.8 53.1 407 407 A A H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.937 113.4 46.5 -65.9 -44.3 28.5 6.2 53.6 408 408 A M H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.787 104.4 61.0 -68.7 -28.1 28.6 7.3 57.2 409 409 A A H X S+ 0 0 48 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.866 104.6 50.0 -65.6 -34.4 25.0 6.1 57.8 410 410 A Y H X S+ 0 0 19 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.915 107.5 53.7 -68.1 -41.6 26.3 2.6 56.9 411 411 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.906 108.4 49.8 -57.6 -41.7 29.1 3.1 59.4 412 412 A K H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 107.8 54.2 -64.0 -38.0 26.5 3.9 62.0 413 413 A A H X S+ 0 0 34 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.876 103.7 55.0 -63.9 -37.5 24.6 0.8 61.0 414 414 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.897 107.7 50.8 -62.1 -39.5 27.8 -1.3 61.6 415 415 A N H X S+ 0 0 17 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.7 45.7 -62.9 -48.4 28.0 0.1 65.1 416 416 A R H X S+ 0 0 150 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.877 108.4 57.1 -64.5 -36.9 24.3 -0.8 65.9 417 417 A Y H X S+ 0 0 8 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.920 107.9 48.7 -59.0 -44.1 24.8 -4.2 64.4 418 418 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.971 114.8 42.7 -58.9 -56.3 27.6 -4.8 66.9 419 419 A N H < S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.793 116.6 51.2 -61.4 -29.3 25.6 -3.6 69.8 420 420 A E H < S+ 0 0 118 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 119.2 32.1 -73.4 -51.1 22.6 -5.5 68.5 421 421 A K H < S- 0 0 69 -4,-3.1 5,-0.3 -5,-0.2 -2,-0.2 0.795 88.3-156.3 -78.6 -31.5 24.3 -8.9 68.0 422 422 A K >X - 0 0 91 -4,-3.2 3,-2.2 -5,-0.3 4,-2.1 0.971 5.8-163.7 51.5 72.0 26.8 -8.6 70.9 423 423 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.793 86.6 65.3 -54.8 -27.9 29.6 -10.9 69.8 424 424 A W H 34 S+ 0 0 79 1,-0.2 4,-0.3 2,-0.2 -2,-0.1 0.749 107.9 40.0 -67.7 -23.0 30.9 -10.9 73.3 425 425 A E H X> S+ 0 0 78 -3,-2.2 3,-1.1 2,-0.1 4,-0.5 0.848 112.6 54.3 -90.1 -41.3 27.7 -12.6 74.4 426 426 A L H >X S+ 0 0 25 -4,-2.1 4,-2.9 -5,-0.3 3,-0.6 0.833 97.9 66.4 -60.3 -33.7 27.5 -14.9 71.4 427 427 A F H 3< S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.784 85.4 72.3 -60.3 -29.8 31.0 -16.2 72.1 428 428 A K H <4 S- 0 0 146 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.914 124.8 -1.0 -52.5 -49.9 29.9 -17.8 75.4 429 429 A K H << S+ 0 0 136 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.580 141.1 38.0-118.5 -19.1 28.0 -20.7 73.7 430 430 A E X + 0 0 93 -4,-2.9 4,-1.6 -5,-0.2 3,-0.4 -0.594 55.3 164.6-138.3 76.7 28.4 -20.0 70.0 431 431 A P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.781 77.6 60.6 -61.0 -30.9 31.9 -18.7 69.1 432 432 A E H > S+ 0 0 155 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.903 106.4 46.1 -65.9 -39.8 31.4 -19.4 65.4 433 433 A E H > S+ 0 0 72 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.853 111.4 52.7 -70.2 -33.9 28.4 -17.1 65.3 434 434 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -8,-0.2 -2,-0.2 0.928 110.9 46.7 -65.7 -44.6 30.4 -14.5 67.2 435 435 A R H X S+ 0 0 74 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.828 108.9 55.3 -66.2 -33.1 33.2 -14.7 64.7 436 436 A A H X S+ 0 0 9 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.909 107.5 49.5 -66.2 -41.9 30.7 -14.5 61.8 437 437 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.929 110.6 50.5 -62.5 -43.6 29.4 -11.2 63.2 438 438 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.863 107.8 53.2 -63.9 -35.1 32.9 -9.9 63.5 439 439 A Y H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.938 106.3 53.1 -65.4 -43.4 33.6 -10.8 59.9 440 440 A R H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.867 110.2 47.4 -58.8 -38.6 30.6 -8.9 58.8 441 441 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.900 112.3 49.0 -70.8 -40.7 31.7 -5.8 60.6 442 442 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.949 113.9 45.6 -63.1 -48.6 35.2 -6.0 59.2 443 443 A E H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.872 112.1 52.9 -62.7 -36.8 33.9 -6.5 55.6 444 444 A G H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.903 109.1 48.8 -64.5 -40.3 31.5 -3.7 56.2 445 445 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.894 107.3 55.6 -66.4 -38.8 34.4 -1.4 57.3 446 446 A R H X S+ 0 0 15 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.966 111.9 43.8 -56.1 -52.7 36.4 -2.4 54.2 447 447 A I H >X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.6 0.940 114.6 48.1 -58.0 -51.2 33.5 -1.3 52.0 448 448 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.895 107.7 56.6 -58.7 -40.3 32.9 1.9 54.0 449 449 A S H 3X S+ 0 0 2 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.805 105.5 51.5 -62.7 -31.3 36.6 2.8 53.9 450 450 A I H X< S+ 0 0 0 -4,-1.4 3,-0.9 -3,-0.6 -1,-0.2 0.923 108.1 50.2 -71.0 -45.7 36.6 2.6 50.1 451 451 A L H 3< S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.2 4,-0.2 0.853 114.8 45.6 -60.3 -35.5 33.7 4.9 49.7 452 452 A L H >X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 3,-0.8 0.523 86.9 93.5 -86.3 -7.3 35.4 7.4 52.1 453 453 A T T << S+ 0 0 17 -3,-0.9 -1,-0.2 -4,-0.5 7,-0.2 0.891 79.5 55.4 -55.2 -45.8 38.8 7.2 50.5 454 454 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -420,-0.2 0.817 115.2 41.3 -59.6 -27.4 38.4 10.2 48.1 455 455 A A T <4 S+ 0 0 0 -3,-0.8 -2,-0.2 1,-0.2 -133,-0.1 0.884 133.3 18.5 -85.3 -42.2 37.5 12.3 51.1 456 456 A M S X S+ 0 0 0 -4,-2.5 4,-2.4 -7,-0.1 5,-0.3 -0.583 71.0 169.1-130.0 69.9 40.2 11.0 53.5 457 457 A P H > S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.906 77.5 38.7 -47.1 -58.3 42.9 9.2 51.4 458 458 A D H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.906 116.6 49.1 -65.6 -44.1 45.5 8.7 54.1 459 459 A K H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.848 111.0 49.6 -66.4 -34.9 43.2 7.9 57.0 460 460 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.858 110.6 50.2 -73.0 -31.6 41.2 5.3 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