==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-04 1XM8 . COMPND 2 MOLECULE: GLYOXALASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR G.E.WESENBERG,D.W.SMITH,G.N.PHILLIPS JR.,E.BITTO, . 508 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 0 4 2 0 0 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 4 2 6 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 36 0, 0.0 2,-0.5 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 130.1 64.8 23.6 1.6 2 2 A Q E -A 18 0A 99 16,-2.5 16,-2.7 2,-0.0 2,-0.6 -0.810 360.0-155.7 -92.7 130.0 65.6 24.6 5.2 3 3 A I E -A 17 0A 37 -2,-0.5 2,-0.6 14,-0.2 14,-0.2 -0.948 8.1-165.0-109.0 116.0 62.4 25.4 7.2 4 4 A E E -A 16 0A 39 12,-2.9 12,-2.5 -2,-0.6 2,-0.3 -0.911 12.7-139.9-105.9 119.4 63.0 27.7 10.1 5 5 A L E -A 15 0A 41 -2,-0.6 10,-0.2 10,-0.2 8,-0.0 -0.577 16.6-166.5 -72.7 135.4 60.4 28.0 12.8 6 6 A V E -A 14 0A 8 8,-2.7 8,-2.3 -2,-0.3 2,-0.2 -0.931 13.0-141.6-126.9 102.9 59.9 31.5 14.0 7 7 A P E +A 13 0A 90 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.496 27.6 178.5 -64.5 132.3 57.9 32.0 17.2 8 8 A C E > -A 12 0A 2 4,-2.3 4,-2.2 -2,-0.2 3,-0.2 -0.953 45.8 -14.8-133.5 157.1 55.7 35.0 17.0 9 9 A L T 4 S- 0 0 62 -2,-0.3 23,-0.0 1,-0.2 49,-0.0 -0.285 117.1 -38.8 48.6-138.0 53.2 36.6 19.4 10 10 A K T 4 S- 0 0 83 1,-0.0 -1,-0.2 -3,-0.0 159,-0.0 0.854 132.3 -11.9 -87.2 -39.9 52.3 34.2 22.2 11 11 A D T 4 S+ 0 0 24 -3,-0.2 159,-2.4 157,-0.1 2,-0.2 0.139 95.5 124.7-154.9 22.1 52.1 30.9 20.4 12 12 A N E < -AB 8 169A 6 -4,-2.2 -4,-2.3 157,-0.2 2,-0.5 -0.604 43.0-149.8 -85.4 154.7 52.2 31.5 16.7 13 13 A Y E -A 7 0A 10 155,-2.2 2,-0.3 -2,-0.2 117,-0.1 -0.993 11.5-176.3-120.8 123.0 54.6 30.0 14.3 14 14 A A E -A 6 0A 0 -8,-2.3 -8,-2.7 -2,-0.5 2,-0.4 -0.750 20.5-140.3 -94.9 156.8 55.8 31.7 11.1 15 15 A Y E -AC 5 28A 2 13,-1.9 13,-2.9 -2,-0.3 2,-0.6 -0.987 5.9-153.5-127.7 122.7 58.1 29.7 8.9 16 16 A I E -AC 4 27A 0 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.5 -0.839 15.8-153.9 -92.4 122.2 61.1 31.1 7.0 17 17 A L E -AC 3 26A 0 9,-3.3 9,-2.2 -2,-0.6 2,-0.6 -0.877 8.5-167.4-100.7 124.5 61.8 29.0 4.0 18 18 A H E -AC 2 25A 8 -16,-2.7 -16,-2.5 -2,-0.5 2,-0.3 -0.925 10.5-149.6-117.9 114.0 65.4 29.0 2.7 19 19 A D > - 0 0 4 5,-2.6 4,-1.0 -2,-0.6 81,-0.1 -0.617 7.6-151.3 -75.1 140.4 66.1 27.6 -0.7 20 20 A E T 4 S+ 0 0 113 -2,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.878 88.5 45.9 -85.0 -34.5 69.6 26.1 -0.8 21 21 A D T 4 S+ 0 0 150 1,-0.1 -1,-0.1 79,-0.1 -2,-0.0 0.892 128.5 20.3 -76.8 -32.7 70.5 26.5 -4.4 22 22 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 78,-0.1 -1,-0.1 0.614 86.6-124.8-113.6 -16.4 69.3 30.1 -4.8 23 23 A G < + 0 0 33 -4,-1.0 23,-0.2 1,-0.3 2,-0.2 0.708 54.5 154.4 76.4 3.2 69.0 31.9 -1.5 24 24 A T - 0 0 28 21,-0.1 -5,-2.6 23,-0.1 2,-0.4 -0.573 27.8-158.6 -59.1 136.1 65.4 32.7 -2.3 25 25 A V E -C 18 0A 0 -2,-0.2 23,-2.7 21,-0.2 24,-1.9 -0.981 13.8-179.0-125.6 135.6 63.6 33.2 1.0 26 26 A G E -Cd 17 49A 0 -9,-2.2 -9,-3.3 -2,-0.4 2,-0.4 -0.879 13.8-148.4-120.4 162.1 59.9 32.9 1.8 27 27 A V E -Cd 16 50A 0 22,-1.8 24,-2.9 -2,-0.3 2,-0.5 -0.994 5.8-151.7-131.8 129.8 57.9 33.4 4.9 28 28 A V E S-Cd 15 51A 1 -13,-2.9 -13,-1.9 -2,-0.4 24,-0.2 -0.850 76.4 -11.8 -96.0 124.9 54.7 31.5 5.8 29 29 A D - 0 0 2 22,-2.7 2,-1.3 -2,-0.5 -1,-0.2 0.901 69.2-160.4 55.4 59.3 52.2 33.4 8.1 30 30 A P - 0 0 0 0, 0.0 32,-2.7 0, 0.0 33,-0.3 -0.520 7.5-173.5 -70.9 92.9 54.3 36.4 9.3 31 31 A S S S+ 0 0 5 -2,-1.3 2,-0.3 30,-0.2 29,-0.2 0.839 73.6 4.0 -56.8 -36.9 52.3 37.3 12.4 32 32 A E S > S- 0 0 67 29,-0.2 4,-0.6 30,-0.1 30,-0.2 -0.970 70.8-129.6-148.6 150.6 54.4 40.4 13.0 33 33 A A H >> S+ 0 0 5 -2,-0.3 4,-2.6 28,-0.2 3,-0.8 0.915 94.4 68.4 -72.3 -43.0 57.3 41.9 10.9 34 34 A E H 3> S+ 0 0 96 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.865 97.2 47.9 -51.7 -50.6 59.8 42.3 13.6 35 35 A P H 3> S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.827 115.0 48.6 -61.0 -28.8 60.7 38.6 14.4 36 36 A I H S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-1.2 0.870 105.2 55.7 -68.9 -37.6 66.6 37.6 8.2 41 41 A K H <5S+ 0 0 116 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.907 108.3 50.7 -60.1 -39.5 69.3 40.1 9.4 42 42 A R H <5S+ 0 0 163 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.979 113.8 41.3 -63.5 -55.7 71.0 37.1 11.1 43 43 A S H <5S- 0 0 44 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.639 108.5-130.1 -67.9 -11.6 71.0 35.0 7.9 44 44 A G T <5 + 0 0 64 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.884 61.7 129.9 64.6 41.0 72.0 38.1 6.0 45 45 A R < - 0 0 64 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.825 55.0-126.7-126.0 161.9 69.2 37.6 3.4 46 46 A N - 0 0 91 -2,-0.3 2,-0.5 -23,-0.2 -21,-0.2 -0.664 32.9-111.6 -97.9 156.5 66.3 39.6 1.8 47 47 A L + 0 0 1 -2,-0.3 -21,-0.2 1,-0.2 3,-0.1 -0.814 32.1 176.7 -96.1 129.2 62.8 38.3 1.7 48 48 A T + 0 0 44 -23,-2.7 25,-2.3 -2,-0.5 2,-0.3 0.842 63.0 23.1 -93.2 -47.4 61.4 37.2 -1.7 49 49 A Y E -de 26 73A 59 -24,-1.9 -22,-1.8 23,-0.3 2,-0.4 -0.959 50.3-160.6-131.0 146.5 58.0 35.9 -0.9 50 50 A I E -de 27 74A 0 23,-2.6 25,-3.0 -2,-0.3 2,-0.4 -0.992 17.4-170.0-120.7 127.2 55.3 36.1 1.8 51 51 A L E -de 28 75A 2 -24,-2.9 -22,-2.7 -2,-0.4 2,-0.4 -0.987 2.9-162.0-121.6 131.8 52.7 33.2 1.8 52 52 A N - 0 0 1 23,-1.9 25,-0.3 -2,-0.4 3,-0.1 -0.954 15.6-163.6-118.0 134.3 49.5 33.2 3.9 53 53 A T S S- 0 0 1 -2,-0.4 64,-2.8 1,-0.2 2,-0.3 0.789 78.2 -11.5 -78.3 -31.5 47.4 30.3 4.9 54 54 A H S S- 0 0 1 62,-0.2 -1,-0.2 2,-0.1 -25,-0.1 -0.946 71.5 -99.9-164.7 174.9 44.4 32.4 5.9 55 55 A H + 0 0 24 -2,-0.3 5,-0.2 -3,-0.1 4,-0.1 0.567 66.9 127.6 -87.9 -12.1 43.4 35.9 6.6 56 56 A H >> - 0 0 3 1,-0.1 3,-2.5 453,-0.1 4,-1.0 -0.105 68.8-118.6 -55.2 145.0 43.4 36.2 10.4 57 57 A Y H 3> S+ 0 0 96 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.822 112.3 62.3 -56.3 -35.1 45.5 39.0 11.8 58 58 A D H 34 S+ 0 0 32 451,-0.3 -1,-0.3 1,-0.2 -27,-0.2 0.544 113.2 36.5 -70.1 -2.0 47.8 36.6 13.6 59 59 A H H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 -28,-0.1 -2,-0.2 0.500 128.6 31.2-119.2 -12.0 48.9 35.2 10.2 60 60 A T H >< S+ 0 0 7 -4,-1.0 3,-1.7 -3,-0.4 4,-0.4 0.372 83.7 105.0-128.9 -3.1 48.8 38.4 8.1 61 61 A G T 3< S+ 0 0 26 -4,-2.0 4,-0.3 1,-0.3 -28,-0.2 0.757 86.3 43.3 -59.2 -30.9 49.8 41.1 10.6 62 62 A G T 3> S+ 0 0 1 -32,-2.7 4,-2.4 -30,-0.2 -1,-0.3 0.484 87.4 97.5 -91.0 -4.9 53.4 41.5 9.2 63 63 A N H <> S+ 0 0 0 -3,-1.7 4,-2.8 -33,-0.3 5,-0.2 0.906 82.8 42.6 -53.4 -55.0 52.5 41.4 5.5 64 64 A L H > S+ 0 0 104 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.918 116.1 47.8 -69.1 -39.2 52.4 45.1 4.6 65 65 A E H > S+ 0 0 102 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.930 115.8 44.3 -64.0 -45.1 55.5 46.0 6.5 66 66 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-0.6 0.910 113.8 50.0 -68.1 -39.6 57.6 43.1 5.1 67 67 A K H X S+ 0 0 53 -4,-2.8 4,-2.2 -5,-0.3 5,-0.5 0.947 115.3 43.4 -62.1 -49.5 56.3 43.7 1.6 68 68 A D H < S+ 0 0 144 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 116.5 48.1 -63.2 -43.8 57.2 47.4 1.8 69 69 A R H < S+ 0 0 121 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.864 128.5 19.0 -66.6 -38.8 60.5 46.8 3.5 70 70 A Y H < S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.505 95.2-118.0-111.4 -10.4 61.8 44.1 1.2 71 71 A G < + 0 0 58 -4,-2.2 -4,-0.2 -5,-0.3 -3,-0.2 0.776 57.0 168.0 67.7 25.2 59.7 44.4 -2.0 72 72 A A - 0 0 1 -6,-0.6 2,-0.4 -5,-0.5 -23,-0.3 -0.322 34.7-122.7 -69.2 157.0 58.5 40.9 -1.3 73 73 A K E -e 49 0A 112 -25,-2.3 -23,-2.6 -3,-0.1 2,-0.5 -0.876 18.9-136.5-103.6 131.0 55.6 39.4 -3.2 74 74 A V E -ef 50 87A 0 12,-0.6 14,-3.0 -2,-0.4 15,-2.1 -0.819 17.6-167.9 -92.9 128.9 52.5 38.2 -1.2 75 75 A I E +ef 51 89A 7 -25,-3.0 -23,-1.9 -2,-0.5 2,-0.3 -0.959 25.2 137.1-119.5 124.4 51.1 34.8 -2.3 76 76 A G E - f 0 90A 1 13,-2.4 15,-3.4 -2,-0.5 2,-0.3 -0.871 50.4 -47.4-158.1-171.9 47.6 33.8 -1.0 77 77 A S E > - f 0 91A 3 -25,-0.3 3,-1.0 -2,-0.3 15,-0.2 -0.513 29.0-147.0 -78.2 131.6 44.2 32.3 -1.6 78 78 A A G > S+ 0 0 39 13,-2.6 3,-1.6 -2,-0.3 4,-0.2 0.894 102.9 59.6 -59.6 -37.8 42.1 33.4 -4.6 79 79 A M G 3 S+ 0 0 117 12,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.802 114.2 35.8 -57.2 -29.4 39.0 32.8 -2.4 80 80 A D G X> S+ 0 0 5 -3,-1.0 3,-3.1 35,-0.3 4,-0.8 0.158 77.2 129.0-111.8 18.6 40.3 35.3 0.1 81 81 A K G X4 S+ 0 0 111 -3,-1.6 3,-0.7 1,-0.3 6,-0.3 0.803 74.4 49.1 -53.4 -40.7 41.9 37.8 -2.3 82 82 A D G 34 S+ 0 0 173 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.618 114.4 48.5 -76.0 -4.4 40.2 40.9 -0.8 83 83 A R G <4 S+ 0 0 86 -3,-3.1 -1,-0.2 2,-0.1 -2,-0.2 0.465 86.9 87.3-112.3 -5.0 41.2 39.8 2.7 84 84 A I S X< S- 0 0 6 -4,-0.8 3,-1.8 -3,-0.7 -29,-0.1 -0.857 82.7-124.8 -98.6 108.1 44.9 39.0 2.3 85 85 A P T 3 S- 0 0 41 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.292 86.1 -1.5 -58.7 127.9 46.9 42.3 2.9 86 86 A G T 3 S+ 0 0 24 1,-0.2 -12,-0.6 -2,-0.1 0, 0.0 0.582 84.6 178.3 77.9 9.5 49.1 43.2 -0.0 87 87 A I E < +f 74 0A 28 -3,-1.8 -1,-0.2 -6,-0.3 -12,-0.2 -0.183 15.3 171.2 -57.5 127.6 48.4 40.1 -2.1 88 88 A D E + 0 0 66 -14,-3.0 2,-0.4 1,-0.3 -13,-0.2 0.644 69.3 34.1-102.2 -32.0 50.2 40.0 -5.4 89 89 A M E -f 75 0A 92 -15,-2.1 -13,-2.4 -8,-0.0 2,-0.5 -0.992 68.4-156.6-135.7 121.2 49.3 36.5 -6.6 90 90 A A E -f 76 0A 30 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.896 13.7-156.1-107.0 124.3 46.1 34.7 -5.9 91 91 A L E -f 77 0A 5 -15,-3.4 -13,-2.6 -2,-0.5 -12,-0.4 -0.769 1.3-150.7-111.9 144.1 46.1 30.9 -5.9 92 92 A K > - 0 0 123 -2,-0.3 3,-2.2 -15,-0.2 14,-0.2 -0.639 39.9 -73.3-104.2 160.6 43.3 28.3 -6.5 93 93 A D T 3 S+ 0 0 77 1,-0.3 14,-0.2 -2,-0.2 -1,-0.1 -0.267 119.8 15.2 -55.4 133.8 42.8 24.8 -5.3 94 94 A G T 3 S+ 0 0 54 12,-2.6 -1,-0.3 1,-0.3 13,-0.1 0.276 91.5 144.5 78.8 -2.2 45.1 22.4 -7.1 95 95 A D < - 0 0 36 -3,-2.2 11,-2.9 11,-0.1 2,-0.4 -0.334 43.5-142.0 -63.1 145.7 47.4 25.2 -8.4 96 96 A K E -G 105 0B 121 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.890 20.3-175.9-103.4 138.1 51.0 24.5 -8.6 97 97 A W E -G 104 0B 24 7,-2.1 7,-1.9 -2,-0.4 2,-0.6 -0.997 20.6-129.5-135.6 137.0 53.3 27.4 -7.7 98 98 A M E -G 103 0B 84 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.777 12.5-166.1-102.6 119.0 57.1 27.4 -7.9 99 99 A F E > S-G 102 0B 0 3,-3.0 3,-1.5 -2,-0.6 -73,-0.1 -0.869 86.8 -38.9 -94.4 92.5 59.2 28.5 -5.0 100 100 A A T 3 S- 0 0 31 -2,-0.9 -1,-0.2 1,-0.3 -79,-0.1 0.924 124.9 -41.3 48.8 49.9 62.6 28.8 -6.8 101 101 A G T 3 S+ 0 0 62 1,-0.3 2,-0.5 -3,-0.0 -1,-0.3 0.686 114.4 118.6 77.1 8.6 61.8 25.7 -8.9 102 102 A H E < -G 99 0B 63 -3,-1.5 -3,-3.0 20,-0.0 -1,-0.3 -0.960 67.3-118.7-107.5 130.3 60.3 23.7 -6.0 103 103 A E E -G 98 0B 72 -2,-0.5 2,-0.5 -5,-0.2 20,-0.4 -0.437 24.6-168.1 -70.3 133.5 56.7 22.8 -6.5 104 104 A V E -G 97 0B 0 -7,-1.9 -7,-2.1 -2,-0.2 2,-0.6 -0.994 9.2-153.5-119.5 124.7 54.1 24.0 -4.1 105 105 A H E -GH 96 120B 53 15,-2.9 15,-2.7 -2,-0.5 2,-0.4 -0.911 12.2-142.2-105.3 119.4 50.7 22.3 -4.3 106 106 A V E - H 0 119B 2 -11,-2.9 -12,-2.6 -2,-0.6 2,-0.5 -0.723 17.5-171.7 -84.7 127.7 47.9 24.5 -3.1 107 107 A M E - H 0 118B 22 11,-2.4 11,-2.7 -2,-0.4 2,-0.3 -0.983 22.1-134.0-122.8 118.8 45.0 22.8 -1.2 108 108 A D E + H 0 117B 30 -2,-0.5 9,-0.3 9,-0.2 8,-0.1 -0.596 27.9 178.7 -65.2 129.1 41.8 24.6 -0.3 109 109 A T - 0 0 0 7,-2.8 3,-0.4 -2,-0.3 4,-0.3 -0.511 5.4-179.5-135.9 61.7 41.2 23.6 3.3 110 110 A P + 0 0 29 0, 0.0 42,-0.3 0, 0.0 4,-0.2 -0.199 42.7 84.9 -63.9 154.6 38.1 25.3 4.5 111 111 A G S S+ 0 0 0 2,-1.7 33,-2.3 41,-0.1 32,-0.8 -0.571 89.8 45.7 152.6 -71.4 36.8 24.9 8.1 112 112 A H S S- 0 0 8 -3,-0.4 31,-1.2 29,-0.2 30,-0.8 0.956 137.1 -3.0 -59.7 -51.1 38.5 27.4 10.4 113 113 A T S S- 0 0 0 -4,-0.3 -2,-1.7 29,-0.2 2,-0.8 -0.916 76.6-113.1-129.2 167.7 37.9 30.0 7.7 114 114 A K S S+ 0 0 103 -2,-0.3 3,-0.1 -4,-0.2 -6,-0.0 -0.909 111.4 36.1 -96.1 110.8 36.3 29.9 4.3 115 115 A G S S+ 0 0 2 -2,-0.8 -35,-0.3 1,-0.4 -1,-0.2 0.122 81.7 140.5 127.4 -14.9 39.3 30.7 2.2 116 116 A H - 0 0 1 -3,-0.4 -7,-2.8 -7,-0.1 -1,-0.4 -0.278 29.1-171.3 -61.9 136.5 42.0 28.8 4.2 117 117 A I E -H 108 0B 2 -64,-2.8 2,-0.3 -9,-0.3 -9,-0.2 -0.900 14.8-146.0-121.5 159.9 44.6 27.0 2.2 118 118 A S E -H 107 0B 0 -11,-2.7 -11,-2.4 -2,-0.3 2,-0.5 -0.914 15.1-138.3-121.3 154.0 47.4 24.6 3.0 119 119 A L E -HI 106 128B 3 9,-2.1 9,-2.5 -2,-0.3 2,-0.5 -0.947 13.1-162.3-121.5 112.5 50.7 24.5 1.2 120 120 A Y E -HI 105 127B 33 -15,-2.7 -15,-2.9 -2,-0.5 7,-0.2 -0.851 8.0-170.1-102.1 122.6 52.2 21.2 0.3 121 121 A F E >>> - 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0 0 16 -3,-2.1 4,-2.5 1,-0.2 5,-0.1 -0.591 50.5-164.1 -71.1 107.1 39.9 56.3 21.0 442 187 B E H > S+ 0 0 159 -2,-0.7 4,-2.1 2,-0.2 5,-0.2 0.890 85.0 49.3 -66.5 -40.3 42.8 58.2 22.6 443 188 B V H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.921 112.2 49.9 -67.2 -39.5 42.8 56.5 26.0 444 189 B L H > S+ 0 0 1 27,-0.3 4,-3.0 1,-0.2 5,-0.3 0.911 108.5 52.7 -63.8 -42.1 42.7 53.1 24.2 445 190 B Q H X S+ 0 0 89 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.939 113.4 43.6 -56.8 -44.9 45.7 54.2 22.0 446 191 B S H X S+ 0 0 86 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.925 115.7 47.3 -68.5 -45.0 47.7 55.1 25.2 447 192 B Y H X S+ 0 0 18 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.904 110.7 51.8 -63.7 -43.0 46.7 52.0 27.0 448 193 B A H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.897 109.8 50.2 -61.4 -39.2 47.5 49.7 24.1 449 194 B A H X S+ 0 0 62 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.910 111.0 48.1 -66.4 -40.1 50.9 51.3 23.8 450 195 B H H X S+ 0 0 100 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.911 110.7 52.8 -61.4 -46.5 51.5 50.7 27.6 451 196 B V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.918 107.8 50.0 -55.4 -46.8 50.3 47.1 27.1 452 197 B A H X S+ 0 0 45 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 110.9 50.2 -61.0 -38.1 52.8 46.5 24.3 453 198 B E H X S+ 0 0 106 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.956 111.7 47.7 -66.8 -45.8 55.6 47.9 26.4 454 199 B L H ><>S+ 0 0 36 -4,-2.8 5,-2.6 1,-0.2 3,-1.0 0.948 113.2 47.3 -58.9 -49.2 54.7 45.7 29.4 455 200 B R H ><5S+ 0 0 60 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.869 104.8 60.3 -69.2 -30.2 54.4 42.6 27.2 456 201 B S H 3<5S+ 0 0 90 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.792 108.7 45.6 -61.7 -28.8 57.8 43.4 25.5 457 202 B K T <<5S- 0 0 126 -4,-1.1 -1,-0.3 -3,-1.0 -2,-0.2 0.256 119.2-114.0 -95.0 10.5 59.3 43.1 29.0 458 203 B K T < 5 + 0 0 167 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.771 69.8 143.5 57.7 34.4 57.3 39.9 29.7 459 204 B L < - 0 0 79 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.759 53.6-103.7-102.6 148.4 55.4 41.7 32.4 460 205 B P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.232 13.4-155.2 -60.1 151.9 51.6 41.1 33.2 461 206 B T + 0 0 8 -7,-0.0 -10,-0.0 -6,-0.0 -7,-0.0 0.270 54.5 128.3-103.4 7.4 49.0 43.6 32.1 462 207 B I + 0 0 9 -40,-0.1 2,-0.2 2,-0.0 -41,-0.1 -0.916 35.6 55.9-118.6 134.8 46.7 42.5 34.9 463 208 B P + 0 0 55 0, 0.0 -42,-0.2 0, 0.0 2,-0.2 0.328 65.7 172.9 -79.1 156.7 45.1 44.0 37.0 464 209 B T E -W 420 0E 6 -44,-2.0 -44,-2.6 -2,-0.2 2,-0.3 -0.361 24.8-120.8-103.8-171.2 43.2 46.4 35.0 465 210 B T E > -W 419 0E 45 -46,-0.3 4,-2.4 -2,-0.2 5,-0.3 -0.977 16.6-115.4-131.8 157.7 40.4 48.6 36.4 466 211 B V H > S+ 0 0 0 -48,-2.1 4,-2.7 -51,-0.3 5,-0.2 0.924 117.2 53.4 -50.4 -44.8 36.7 49.2 35.9 467 212 B K H > S+ 0 0 139 -51,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.919 109.3 45.4 -61.1 -48.8 37.5 52.8 34.8 468 213 B M H > S+ 0 0 57 -52,-0.3 4,-1.3 2,-0.2 5,-0.2 0.898 113.6 50.3 -60.3 -44.2 40.1 51.7 32.1 469 214 B E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.5 0.927 107.9 52.6 -67.5 -41.2 37.8 49.0 30.8 470 215 B K H < S+ 0 0 89 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.904 114.8 43.7 -52.8 -40.0 34.8 51.4 30.5 471 216 B A H < S+ 0 0 28 -4,-1.7 -27,-0.3 -5,-0.2 -1,-0.2 0.671 131.9 15.4 -75.1 -30.6 37.1 53.7 28.5 472 217 B C H < S+ 0 0 0 -4,-1.3 -3,-0.2 -3,-0.5 -2,-0.2 0.635 90.0 99.2-124.5 -25.4 38.7 51.0 26.2 473 218 B N >< - 0 0 0 -4,-2.5 3,-2.2 -5,-0.2 4,-0.3 -0.656 55.8-150.4 -84.7 117.4 37.0 47.6 26.1 474 219 B P G > S+ 0 0 2 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.813 95.4 61.6 -57.2 -34.2 34.8 47.2 23.0 475 220 B F G 3 S+ 0 0 1 1,-0.3 3,-0.3 2,-0.1 -67,-0.1 0.689 105.9 45.7 -68.6 -18.4 32.4 44.9 24.8 476 221 B L G < S+ 0 0 39 -3,-2.2 -1,-0.3 -7,-0.3 3,-0.1 0.316 112.1 55.0 -96.3 5.0 31.6 47.6 27.4 477 222 B R X + 0 0 56 -3,-1.5 3,-2.3 -4,-0.3 6,-0.2 -0.159 61.4 138.7-130.1 32.7 31.2 50.2 24.5 478 223 B S T 3 S+ 0 0 8 -3,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.609 72.8 53.1 -68.2 -14.3 28.6 48.3 22.3 479 224 B S T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 4,-0.0 2,-0.1 0.389 79.3 127.6 -96.1 -0.5 26.6 51.6 21.7 480 225 B N <> - 0 0 34 -3,-2.3 4,-2.5 -6,-0.2 5,-0.2 -0.333 58.3-141.2 -59.1 133.1 29.7 53.4 20.4 481 226 B T H > S+ 0 0 104 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.905 99.7 49.5 -64.0 -43.3 29.2 55.0 17.0 482 227 B D H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 113.1 47.6 -62.9 -44.3 32.6 54.2 15.7 483 228 B I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.949 113.3 47.2 -60.8 -47.8 32.3 50.5 16.7 484 229 B R H X>S+ 0 0 18 -4,-2.5 5,-2.4 1,-0.2 4,-0.8 0.901 112.2 51.0 -62.6 -37.4 28.8 50.2 15.2 485 230 B R H ><5S+ 0 0 154 -4,-2.7 3,-0.9 -5,-0.2 -1,-0.2 0.950 109.5 50.1 -62.8 -48.3 30.0 51.8 12.0 486 231 B A H 3<5S+ 0 0 53 -4,-2.7 -1,-0.2 -49,-0.3 -2,-0.2 0.826 119.7 35.7 -62.1 -32.9 33.0 49.5 11.7 487 232 B L H 3<5S- 0 0 42 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.364 107.8-118.0-107.1 6.1 30.9 46.3 12.2 488 233 B R T <<5 + 0 0 230 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.873 52.6 166.0 58.0 43.7 27.7 47.5 10.4 489 234 B I < - 0 0 8 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.778 40.9-113.8 -89.2 121.0 25.6 47.3 13.5 490 235 B P > - 0 0 75 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.202 19.5-123.3 -53.9 147.2 22.3 49.0 13.1 491 236 B E T 3 S+ 0 0 185 1,-0.3 -2,-0.0 -7,-0.0 -7,-0.0 0.810 108.9 48.3 -62.6 -32.6 21.9 52.1 15.2 492 237 B A T 3 S+ 0 0 100 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.537 81.8 120.3 -90.3 -5.4 18.7 50.8 16.8 493 238 B A < - 0 0 11 -3,-1.2 -4,-0.0 1,-0.1 5,-0.0 -0.293 69.7-111.2 -56.5 139.7 20.0 47.4 17.7 494 239 B D > - 0 0 96 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.220 27.8-109.0 -70.8 164.9 19.9 46.5 21.4 495 240 B E H > S+ 0 0 60 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.818 117.4 57.2 -69.6 -31.8 23.3 46.2 23.2 496 241 B A H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 110.1 45.3 -60.0 -46.1 23.0 42.4 23.5 497 242 B E H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.937 113.8 49.2 -60.4 -48.2 22.6 42.1 19.8 498 243 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.934 110.0 51.5 -56.5 -49.8 25.5 44.5 19.3 499 244 B L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.897 107.0 54.6 -55.3 -43.1 27.7 42.5 21.8 500 245 B G H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.896 109.7 45.7 -57.3 -41.8 27.0 39.3 19.9 501 246 B I H X S+ 0 0 54 -4,-1.9 4,-2.4 -3,-0.2 -2,-0.2 0.901 112.4 50.0 -71.3 -41.1 28.2 40.8 16.6 502 247 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 111.4 51.5 -60.2 -40.1 31.3 42.3 18.3 503 248 B R H X S+ 0 0 7 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.921 110.6 46.2 -66.4 -46.8 32.0 38.8 19.8 504 249 B K H X S+ 0 0 151 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.908 112.4 51.5 -62.2 -43.1 31.7 37.1 16.4 505 250 B A H < S+ 0 0 28 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.891 111.6 46.5 -57.1 -47.6 33.9 39.6 14.8 506 251 B K H >< S+ 0 0 32 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.929 107.7 57.2 -64.0 -42.4 36.5 39.2 17.4 507 252 B D H 3< S+ 0 0 39 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.872 115.3 37.1 -52.4 -43.6 36.3 35.4 17.2 508 253 B D T 3< 0 0 36 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.109 360.0 360.0-100.8 19.9 37.1 35.6 13.4 509 254 B F < 0 0 68 -3,-1.7 -451,-0.3 -453,-0.1 -453,-0.1 -0.620 360.0 360.0 -82.9 360.0 39.6 38.5 13.5