==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-DEC-08 3FKF . COMPND 2 MOLECULE: THIOL-DISULFIDE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR N.E.C.DUKE,L.FREEMAN,C.TESAR,A.JOACHIMIAK,MIDWEST CENTER FOR . 559 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 12.9 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 . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 4 0 0 0 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 0 4 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 . 8 4 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 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 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 V 0 0 59 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 22.3 29.6 5.8 41.3 2 3 A T > - 0 0 91 1,-0.2 3,-2.2 2,-0.1 121,-0.3 -0.265 360.0 -60.1 -62.9 163.9 31.8 5.8 44.5 3 4 A V T 3 S+ 0 0 84 1,-0.3 121,-0.2 121,-0.1 -1,-0.2 -0.242 130.6 28.4 -49.9 130.5 34.2 2.8 44.9 4 5 A G T 3 S+ 0 0 30 119,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.394 96.8 112.7 89.8 -5.1 32.1 -0.4 45.1 5 6 A K S < S- 0 0 116 -3,-2.2 118,-2.9 118,-0.2 -1,-0.4 -0.551 77.6 -89.5 -85.5 164.2 29.2 0.9 43.0 6 7 A S B -A 122 0A 99 116,-0.2 116,-0.2 -2,-0.2 115,-0.1 -0.526 40.1-114.6 -67.9 134.7 28.3 -0.3 39.5 7 8 A A - 0 0 19 114,-3.1 3,-0.1 -2,-0.2 99,-0.1 -0.599 38.6-111.3 -70.1 127.0 30.0 1.3 36.5 8 9 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 98,-0.0 -0.269 37.1 -96.8 -57.5 146.4 27.3 3.2 34.4 9 10 A Y - 0 0 170 12,-0.1 2,-0.3 -3,-0.0 12,-0.0 -0.289 47.2-179.6 -54.9 141.6 26.5 1.8 31.0 10 11 A F - 0 0 7 -3,-0.1 12,-0.5 2,-0.0 2,-0.3 -0.990 19.8-172.3-142.3 154.9 28.3 3.4 28.1 11 12 A S + 0 0 43 -2,-0.3 10,-0.2 10,-0.2 8,-0.1 -0.825 23.1 164.7-144.9 105.8 28.3 2.9 24.4 12 13 A L E -B 20 0B 5 8,-2.4 8,-2.4 -2,-0.3 2,-0.2 -0.951 35.1-112.8-133.0 137.6 30.9 4.9 22.5 13 14 A P E -B 19 0B 24 0, 0.0 80,-2.4 0, 0.0 6,-0.3 -0.456 26.7-148.9 -76.3 139.1 32.4 4.8 19.1 14 15 A N B > -C 92 0C 19 4,-2.0 3,-1.7 78,-0.3 78,-0.2 -0.002 45.4 -72.3 -84.5-167.5 36.0 3.8 18.5 15 16 A E T 3 S+ 0 0 57 76,-0.5 452,-0.2 1,-0.3 77,-0.1 0.678 134.6 46.1 -68.1 -21.3 38.4 5.0 15.7 16 17 A K T 3 S- 0 0 175 2,-0.2 -1,-0.3 450,-0.1 3,-0.1 0.210 121.8-103.7-103.1 10.1 36.6 2.9 13.1 17 18 A G S < S+ 0 0 17 -3,-1.7 2,-0.5 1,-0.3 -2,-0.1 0.443 73.2 142.3 89.4 -2.8 33.1 4.0 14.2 18 19 A E - 0 0 107 -5,-0.1 -4,-2.0 1,-0.1 -1,-0.3 -0.631 52.4-123.9 -78.7 127.0 32.2 0.8 16.1 19 20 A K E -B 13 0B 121 -2,-0.5 2,-0.4 -6,-0.3 -1,-0.1 -0.478 29.4-163.0 -68.4 125.1 30.3 1.4 19.3 20 21 A L E +B 12 0B 1 -8,-2.4 -8,-2.4 -2,-0.2 2,-0.3 -0.926 12.7 172.7-116.7 142.1 31.9 -0.2 22.3 21 22 A S > - 0 0 12 -2,-0.4 3,-2.0 -10,-0.2 6,-0.2 -0.853 49.9 -97.2-137.4 170.8 30.4 -0.9 25.6 22 23 A R T 3 S+ 0 0 68 -12,-0.5 5,-0.1 -2,-0.3 -11,-0.1 0.859 122.3 60.6 -60.8 -30.4 31.6 -2.8 28.8 23 24 A S T 3 S+ 0 0 75 4,-0.1 -1,-0.3 5,-0.1 2,-0.1 0.299 77.7 119.5 -75.0 5.0 29.7 -5.8 27.5 24 25 A A S X> S- 0 0 21 -3,-2.0 3,-2.3 1,-0.1 4,-2.1 -0.500 78.6-113.5 -73.1 154.3 31.8 -6.0 24.3 25 26 A E T 34 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.836 116.2 58.9 -55.8 -36.7 33.8 -9.3 23.9 26 27 A R T 34 S+ 0 0 80 1,-0.2 -1,-0.3 4,-0.0 -3,-0.1 0.720 118.2 28.5 -67.4 -19.5 37.0 -7.4 24.2 27 28 A F T X4 S+ 0 0 0 -3,-2.3 3,-1.2 -6,-0.2 -2,-0.2 0.658 87.0 112.3-112.7 -26.5 36.1 -6.1 27.7 28 29 A R T 3< S+ 0 0 114 -4,-2.1 3,-0.1 1,-0.2 92,-0.1 -0.269 88.0 8.8 -58.0 136.8 33.7 -8.7 29.4 29 30 A N T 3 S+ 0 0 117 90,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.717 107.7 111.5 66.9 26.6 35.2 -10.6 32.5 30 31 A R S < S- 0 0 26 -3,-1.2 2,-0.4 89,-0.2 91,-0.2 -0.931 79.5-107.5-127.8 149.2 38.2 -8.4 32.6 31 32 A Y E -d 64 0C 48 32,-3.2 34,-2.8 -2,-0.3 2,-0.5 -0.660 45.4-155.7 -65.1 130.2 39.7 -5.9 34.9 32 33 A L E -dE 65 117C 1 85,-1.8 85,-2.9 -2,-0.4 2,-0.7 -0.958 11.9-159.9-121.2 112.3 39.1 -2.7 32.8 33 34 A L E -dE 66 116C 0 32,-3.2 34,-2.6 -2,-0.5 2,-0.5 -0.858 11.7-162.4 -88.5 113.8 41.2 0.4 33.3 34 35 A L E -dE 67 115C 0 81,-3.2 81,-2.5 -2,-0.7 2,-0.5 -0.862 2.8-166.0 -91.7 128.2 39.4 3.5 31.8 35 36 A N E -dE 68 114C 5 32,-2.6 34,-3.0 -2,-0.5 2,-0.4 -0.962 5.0-157.3-115.6 122.9 41.5 6.5 31.2 36 37 A F E +dE 69 113C 0 77,-3.2 77,-1.8 -2,-0.5 2,-0.2 -0.781 33.4 138.2 -92.8 134.1 39.7 9.8 30.5 37 38 A W E -d 70 0C 10 32,-1.8 34,-2.3 -2,-0.4 2,-0.3 -0.847 36.0-143.8-156.9 177.4 41.9 12.3 28.6 38 39 A A > - 0 0 0 32,-0.3 3,-2.1 -2,-0.2 4,-0.1 -0.902 22.0-130.8-154.5 146.6 41.6 14.9 25.8 39 40 A S G > S+ 0 0 11 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.868 110.2 63.4 -62.7 -28.1 44.0 15.9 23.0 40 41 A W G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -3,-0.1 178,-0.0 0.606 97.8 56.4 -77.0 -2.9 43.4 19.5 24.0 41 42 A C G < S+ 0 0 5 -3,-2.1 -1,-0.3 284,-0.1 -2,-0.2 0.354 94.3 159.3-102.4 4.8 44.9 18.7 27.4 42 43 A D < + 0 0 5 -3,-2.0 2,-0.1 -4,-0.1 180,-0.1 -0.502 32.2 59.6 -87.5 157.6 48.3 17.5 26.1 43 44 A P + 0 0 86 0, 0.0 3,-0.1 0, 0.0 179,-0.0 0.327 51.3 155.8 -77.8 156.4 51.1 17.0 26.7 44 45 A Q > + 0 0 30 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.491 6.2 161.2-136.9 66.6 50.7 14.4 29.6 45 46 A P H > S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.881 74.1 48.3 -60.4 -35.2 54.1 12.6 29.5 46 47 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.947 115.2 44.1 -70.9 -49.5 53.9 11.2 33.0 47 48 A A H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 117.1 45.2 -58.9 -47.3 50.3 9.9 32.6 48 49 A N H X S+ 0 0 14 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.918 110.7 52.7 -69.6 -43.7 51.0 8.4 29.1 49 50 A A H X S+ 0 0 37 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.936 110.8 49.6 -55.4 -45.8 54.3 6.8 30.1 50 51 A E H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.930 114.1 42.9 -55.9 -54.5 52.5 5.2 33.0 51 52 A L H X S+ 0 0 5 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.888 113.0 53.7 -59.5 -42.0 49.7 3.8 30.8 52 53 A K H X S+ 0 0 86 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.916 107.8 51.0 -63.5 -38.9 52.2 2.8 28.1 53 54 A R H X S+ 0 0 144 -4,-2.7 4,-3.2 -5,-0.2 -2,-0.2 0.943 112.8 45.0 -59.0 -54.2 54.1 0.8 30.7 54 55 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.925 108.7 56.3 -56.2 -47.0 51.0 -1.0 31.8 55 56 A N H < S+ 0 0 37 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.3 39.1 -51.2 -44.3 49.8 -1.6 28.3 56 57 A K H >< S+ 0 0 157 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.932 112.5 54.1 -74.8 -49.4 53.1 -3.4 27.6 57 58 A E H 3< S+ 0 0 113 -4,-3.2 3,-0.2 1,-0.3 -1,-0.2 0.859 120.8 31.0 -53.0 -39.0 53.5 -5.2 30.9 58 59 A Y T >< S+ 0 0 24 -4,-2.3 3,-0.6 -5,-0.2 6,-0.3 0.140 80.1 115.4-113.7 20.5 50.1 -6.9 30.7 59 60 A K T < S+ 0 0 142 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.878 83.5 44.2 -57.7 -42.1 49.7 -7.3 26.9 60 61 A K T 3 S+ 0 0 199 -4,-0.3 2,-0.9 -3,-0.2 -1,-0.2 0.705 90.7 100.6 -74.8 -20.3 49.7 -11.1 27.2 61 62 A N X - 0 0 52 -3,-0.6 3,-1.9 1,-0.2 -1,-0.1 -0.579 55.5-164.9 -79.8 100.5 47.3 -11.1 30.2 62 63 A K T 3 S+ 0 0 157 -2,-0.9 -1,-0.2 1,-0.3 -3,-0.0 0.486 83.0 67.3 -61.4 -7.4 43.8 -11.9 29.1 63 64 A N T 3 S+ 0 0 77 -33,-0.1 -32,-3.2 -5,-0.1 2,-0.4 0.530 93.5 65.6 -92.2 -2.5 42.4 -10.7 32.4 64 65 A F E < +d 31 0C 19 -3,-1.9 2,-0.3 -6,-0.3 -32,-0.2 -0.950 56.0 172.7-124.0 135.5 43.3 -7.0 31.9 65 66 A A E -d 32 0C 13 -34,-2.8 -32,-3.2 -2,-0.4 2,-0.4 -0.979 15.2-149.8-137.9 159.6 42.0 -4.5 29.4 66 67 A X E -d 33 0C 8 -2,-0.3 24,-0.7 -34,-0.2 2,-0.4 -0.946 8.2-172.9-127.0 141.8 42.4 -0.7 28.8 67 68 A L E -df 34 90C 0 -34,-2.6 -32,-2.6 -2,-0.4 2,-0.5 -0.952 12.1-152.1-139.8 119.7 40.1 1.8 27.3 68 69 A G E -df 35 91C 0 22,-3.2 24,-2.6 -2,-0.4 2,-0.5 -0.764 10.9-167.8 -85.8 129.0 40.9 5.5 26.5 69 70 A I E -df 36 92C 3 -34,-3.0 -32,-1.8 -2,-0.5 2,-0.3 -0.962 11.5-158.2-119.3 115.0 37.8 7.7 26.6 70 71 A S E -d 37 0C 3 22,-2.3 24,-0.5 -2,-0.5 25,-0.3 -0.670 23.3-154.5 -97.4 146.5 38.5 11.1 25.1 71 72 A L + 0 0 2 -34,-2.3 27,-0.2 -2,-0.3 -33,-0.2 0.044 54.2 134.8-100.1 22.4 36.7 14.5 25.6 72 73 A D - 0 0 3 -35,-0.2 25,-0.9 25,-0.1 23,-0.3 -0.213 42.9-164.0 -52.7 148.8 37.9 15.6 22.2 73 74 A I S S+ 0 0 49 1,-0.2 2,-0.5 23,-0.2 477,-0.2 0.390 73.0 64.6-112.7 -6.6 35.3 17.3 19.9 74 75 A D > - 0 0 50 1,-0.1 4,-2.4 475,-0.1 -1,-0.2 -0.982 67.3-151.6-126.9 118.2 37.3 17.0 16.7 75 76 A R H > S+ 0 0 14 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.837 96.9 53.1 -47.9 -45.5 38.1 13.7 15.1 76 77 A E H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 109.8 45.9 -64.9 -49.9 41.3 15.0 13.5 77 78 A A H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.939 114.4 50.0 -57.1 -49.2 42.8 16.4 16.8 78 79 A W H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.961 113.3 44.3 -56.0 -55.8 41.9 13.2 18.6 79 80 A E H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.872 109.5 56.6 -53.7 -41.7 43.5 10.9 15.9 80 81 A T H X S+ 0 0 20 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.924 110.9 43.8 -58.4 -46.9 46.6 13.1 15.7 81 82 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 6,-0.2 0.899 108.3 57.3 -65.8 -40.9 47.1 12.7 19.5 82 83 A I H <>S+ 0 0 8 -4,-2.6 5,-2.7 -5,-0.2 4,-0.2 0.944 116.0 37.8 -53.1 -44.5 46.4 9.0 19.3 83 84 A K H ><5S+ 0 0 119 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.900 115.0 50.5 -76.1 -45.2 49.3 8.7 16.7 84 85 A K H 3<5S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 121.0 35.4 -59.7 -41.5 51.8 11.2 18.1 85 86 A D T 3<5S- 0 0 20 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.356 106.3-125.6 -93.7 2.3 51.6 9.6 21.6 86 87 A T T < 5 - 0 0 86 -3,-0.8 2,-1.8 -4,-0.2 -3,-0.2 0.953 34.4-178.4 46.6 58.5 51.2 6.0 20.3 87 88 A L < + 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 -19,-0.1 -0.608 9.6 169.8 -84.7 76.7 47.9 5.4 22.3 88 89 A S + 0 0 84 -2,-1.8 -1,-0.2 -3,-0.2 3,-0.1 0.676 43.4 86.8 -67.2 -28.7 47.8 1.7 21.0 89 90 A W S S- 0 0 13 -3,-0.2 -22,-0.1 1,-0.2 2,-0.0 -0.112 100.1 -61.4 -65.7 174.9 45.0 0.5 23.3 90 91 A D E - f 0 67C 50 -24,-0.7 -22,-3.2 -76,-0.0 2,-0.4 -0.317 56.6-167.7 -58.3 140.7 41.3 0.8 22.5 91 92 A Q E + f 0 68C 1 -24,-0.2 -76,-0.5 -3,-0.1 2,-0.3 -0.995 9.4 176.3-135.3 128.9 40.1 4.5 22.1 92 93 A V E +Cf 14 69C 0 -24,-2.6 -22,-2.3 -2,-0.4 -78,-0.3 -0.898 3.9 167.0-129.3 160.6 36.6 5.8 21.9 93 94 A C - 0 0 1 -80,-2.4 -22,-0.1 -2,-0.3 -20,-0.0 -0.822 23.4-163.8-167.2 131.7 35.2 9.4 21.7 94 95 A D - 0 0 20 -24,-0.5 458,-2.3 -2,-0.3 459,-0.9 0.325 44.0-120.7-105.8 9.9 31.8 10.6 20.9 95 96 A F S S+ 0 0 7 -23,-0.3 455,-0.5 -25,-0.3 458,-0.1 0.793 76.8 121.3 63.5 34.3 32.9 14.3 20.2 96 97 A T > - 0 0 25 -24,-0.2 3,-0.7 1,-0.2 -23,-0.2 0.619 54.6-161.8 -97.2 -18.7 30.7 15.9 22.9 97 98 A G G > - 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0 0 3 -5,-2.9 -1,-0.2 1,-0.1 3,-0.1 -0.745 10.9-179.7 -82.1 129.0 35.1 12.8 36.3 109 110 A L + 0 0 78 -2,-0.5 272,-2.5 1,-0.3 2,-0.3 0.759 60.7 2.3 -99.7 -33.3 36.2 16.3 37.6 110 111 A T S S- 0 0 22 270,-0.2 -1,-0.3 271,-0.1 -74,-0.1 -0.884 85.4 -68.5-146.1 178.3 39.5 16.9 35.7 111 112 A L S S+ 0 0 5 -2,-0.3 -74,-0.1 212,-0.1 2,-0.1 -0.931 98.5 31.1-129.8 145.0 41.7 15.3 33.1 112 113 A P S S+ 0 0 40 0, 0.0 2,-0.4 0, 0.0 -75,-0.2 0.638 77.5 162.1 -75.5 149.0 43.6 12.9 32.9 113 114 A T E -E 36 0C 5 -77,-1.8 -77,-3.2 -2,-0.1 2,-0.4 -0.988 24.6-152.0-138.3 132.8 41.6 10.6 35.3 114 115 A N E -E 35 0C 18 -2,-0.4 13,-1.9 -79,-0.2 14,-0.9 -0.862 7.8-171.3 -99.9 138.3 41.8 6.8 35.6 115 116 A I E -EG 34 126C 0 -81,-2.5 -81,-3.2 -2,-0.4 2,-0.6 -1.000 11.8-152.0-126.2 124.5 38.9 4.6 36.8 116 117 A L E -EG 33 125C 0 9,-2.7 8,-2.9 -2,-0.4 9,-1.0 -0.897 13.5-168.3-101.4 122.5 39.6 0.9 37.5 117 118 A L E -EG 32 123C 0 -85,-2.9 -85,-1.8 -2,-0.6 6,-0.2 -0.823 14.9-128.3-105.3 151.6 36.7 -1.5 37.1 118 119 A S > - 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0 0 8 -2,-0.4 3,-1.8 -10,-0.2 6,-0.2 -0.843 51.0 -97.8-140.9 163.3 20.6 27.3 -3.6 443 23 D R T 3 S+ 0 0 67 -12,-0.4 7,-0.1 -2,-0.3 5,-0.1 0.782 124.0 62.0 -54.3 -29.1 18.9 26.8 -0.3 444 24 D S T 3 S+ 0 0 71 5,-0.1 -1,-0.3 4,-0.1 5,-0.1 0.479 77.7 123.8 -77.2 0.5 15.8 27.9 -2.1 445 25 D A S X> S- 0 0 20 -3,-1.8 4,-2.7 1,-0.1 3,-2.1 -0.284 75.6-115.2 -64.4 147.3 15.9 24.9 -4.5 446 26 D E T 34 S+ 0 0 151 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.872 116.0 54.8 -46.5 -46.1 12.8 22.7 -4.7 447 27 D R T 34 S+ 0 0 81 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.654 120.7 28.4 -69.4 -14.7 14.8 19.8 -3.2 448 28 D F T X4 S+ 0 0 4 -3,-2.1 3,-1.4 -6,-0.2 -2,-0.2 0.657 87.4 117.1-114.2 -27.6 15.9 21.8 -0.1 449 29 D R T 3< S+ 0 0 135 -4,-2.7 -5,-0.1 1,-0.3 3,-0.1 -0.167 85.3 6.5 -56.2 132.6 13.2 24.4 0.6 450 30 D N T 3 S+ 0 0 117 90,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.708 107.3 110.2 69.2 25.1 11.4 24.2 3.8 451 31 D R S < S- 0 0 55 -3,-1.4 2,-0.3 89,-0.3 -1,-0.3 -0.855 80.0-101.9-121.3 153.7 13.6 21.4 5.2 452 32 D Y E -y 485 0L 57 32,-3.1 34,-2.1 -2,-0.3 2,-0.5 -0.659 47.5-153.1 -61.6 131.7 16.2 21.2 7.9 453 33 D L E -yZ 486 538L 3 85,-2.1 85,-3.0 -2,-0.3 2,-0.7 -0.969 14.2-158.7-124.8 115.5 19.4 21.3 5.9 454 34 D L E -yZ 487 537L 0 32,-2.7 34,-2.5 -2,-0.5 2,-0.5 -0.853 13.8-162.7 -87.0 112.3 22.7 19.8 6.9 455 35 D L E -yZ 488 536L 0 81,-3.3 81,-2.6 -2,-0.7 2,-0.6 -0.855 2.6-165.2 -92.6 128.2 25.6 21.5 5.1 456 36 D N E -yZ 489 535L 2 32,-2.8 34,-2.8 -2,-0.5 2,-0.4 -0.953 3.5-159.3-113.1 119.4 28.9 19.7 5.0 457 37 D F E +yZ 490 534L 0 77,-3.0 77,-2.0 -2,-0.6 2,-0.3 -0.780 32.5 135.1 -92.5 134.6 32.0 21.6 3.9 458 38 D W E -y 491 0L 1 32,-2.1 34,-2.6 -2,-0.4 2,-0.3 -0.909 35.6-148.5-160.3 174.7 34.9 19.5 2.8 459 39 D A > - 0 0 0 3,-0.4 3,-1.6 -2,-0.3 32,-0.0 -0.922 25.3-127.4-155.4 152.7 37.5 19.2 0.0 460 40 D S T 3 S+ 0 0 41 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.778 111.7 58.3 -72.1 -21.1 39.2 16.2 -1.5 461 41 D W T 3 S+ 0 0 39 1,-0.2 -1,-0.3 -3,-0.1 -208,-0.1 0.538 115.3 34.2 -83.6 -4.2 42.6 17.9 -0.8 462 42 D C S < S+ 0 0 2 -3,-1.6 -3,-0.4 1,-0.1 -1,-0.2 -0.457 76.7 114.3-144.4 66.7 41.8 18.0 3.0 463 43 D D + 0 0 35 -3,-0.5 -280,-0.1 -280,-0.1 -1,-0.1 -0.510 25.5 152.4-133.0 66.3 39.8 15.0 4.0 464 44 D P + 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -281,-0.1 0.648 55.3 68.3 -81.0 -10.6 42.2 13.2 6.3 465 45 D Q >> - 0 0 27 1,-0.1 3,-1.9 -3,-0.1 4,-0.6 -0.902 59.7-164.2-114.0 106.6 39.6 11.4 8.6 466 46 D P H >> S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.841 87.0 66.7 -54.3 -37.3 37.5 8.6 6.9 467 47 D E H 3> S+ 0 0 28 1,-0.2 4,-1.8 -452,-0.2 5,-0.2 0.667 86.6 69.4 -62.9 -17.5 34.9 8.6 9.8 468 48 D A H <> S+ 0 0 8 -3,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.972 110.8 31.5 -60.5 -51.9 33.8 12.2 8.8 469 49 D N H < S+ 0 0 147 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.909 114.1 51.7 -57.4 -50.6 20.8 6.4 4.9 478 58 D E H 3< S+ 0 0 104 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.826 119.4 32.6 -61.8 -38.3 19.0 6.8 8.2 479 59 D Y T >< S+ 0 0 24 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.134 80.4 122.1-109.2 19.1 16.9 9.8 7.3 480 60 D K T < S+ 0 0 134 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.786 80.1 39.5 -49.6 -38.5 16.4 9.0 3.6 481 61 D K T 3 S+ 0 0 198 -3,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.484 87.8 105.5 -94.2 -6.2 12.6 9.0 3.8 482 62 D N X - 0 0 44 -3,-1.4 3,-1.3 1,-0.2 -3,-0.0 -0.683 52.0-167.3 -88.2 117.1 12.3 11.9 6.1 483 63 D K T 3 S+ 0 0 156 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.500 80.8 70.2 -93.7 -2.9 11.1 14.8 4.0 484 64 D N T 3 S+ 0 0 97 -33,-0.1 -32,-3.1 1,-0.1 2,-0.4 0.416 98.2 66.8 -81.5 4.4 11.8 17.4 6.6 485 65 D F E < +y 452 0L 11 -3,-1.3 2,-0.3 -34,-0.2 -32,-0.2 -0.984 50.8 164.2-138.8 136.0 15.6 16.7 6.0 486 66 D A E -y 453 0L 11 -34,-2.1 -32,-2.7 -2,-0.4 2,-0.4 -0.967 19.4-144.5-142.9 158.9 18.2 17.2 3.3 487 67 D X E -y 454 0L 8 -2,-0.3 24,-0.7 -34,-0.2 2,-0.4 -0.964 10.0-171.9-121.9 142.5 22.0 17.2 3.0 488 68 D L E -ya 455 511L 0 -34,-2.5 -32,-2.8 -2,-0.4 2,-0.5 -0.983 11.4-151.5-134.3 126.9 24.3 19.2 0.8 489 69 D G E -ya 456 512L 0 22,-3.1 24,-3.3 -2,-0.4 2,-0.5 -0.822 10.2-167.8 -91.0 132.0 28.1 18.8 0.4 490 70 D I E -ya 457 513L 3 -34,-2.8 -32,-2.1 -2,-0.5 2,-0.4 -0.988 10.3-159.4-122.0 114.8 30.0 21.9 -0.5 491 71 D S E -ya 458 514L 1 22,-2.7 24,-0.5 -2,-0.5 25,-0.3 -0.766 22.1-153.5 -99.7 140.9 33.5 21.2 -1.6 492 72 D L + 0 0 2 -34,-2.6 -33,-0.2 -2,-0.4 28,-0.1 -0.003 53.1 136.5 -91.7 23.0 36.4 23.7 -1.6 493 73 D D - 0 0 3 -35,-0.2 25,-0.8 1,-0.1 23,-0.4 -0.284 41.9-164.5 -62.5 156.0 38.0 21.7 -4.4 494 74 D I S S+ 0 0 65 23,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.322 72.8 67.6-119.3 -1.1 39.6 23.6 -7.3 495 75 D D > - 0 0 81 1,-0.1 4,-2.4 2,-0.0 -1,-0.1 -0.977 66.0-154.6-126.4 115.7 39.8 20.6 -9.8 496 76 D R H > S+ 0 0 90 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.827 94.9 53.7 -60.7 -33.5 36.7 19.1 -11.1 497 77 D E H > S+ 0 0 144 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 110.5 44.5 -70.4 -43.1 38.3 15.7 -11.7 498 78 D A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 113.3 54.9 -62.6 -39.1 39.7 15.3 -8.0 499 79 D W H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 112.8 38.7 -60.2 -52.8 36.3 16.5 -6.8 500 80 D E H X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.851 112.1 57.2 -69.2 -37.3 34.3 13.8 -8.7 501 81 D T H X S+ 0 0 63 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.919 109.6 46.3 -57.4 -39.5 36.9 11.1 -8.1 502 82 D A H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 6,-0.2 0.926 110.2 53.1 -71.4 -42.5 36.4 11.7 -4.3 503 83 D I H <>S+ 0 0 13 -4,-2.1 5,-2.1 -5,-0.2 4,-0.3 0.954 114.6 41.8 -57.3 -48.9 32.7 11.7 -4.6 504 84 D K H ><5S+ 0 0 161 -4,-2.7 3,-1.1 3,-0.2 -2,-0.2 0.952 114.8 50.6 -65.1 -46.6 32.8 8.3 -6.4 505 85 D K H 3<5S+ 0 0 146 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.852 119.7 33.5 -59.1 -43.0 35.5 6.8 -4.1 506 86 D D T 3<5S- 0 0 52 -4,-2.4 -1,-0.3 -5,-0.1 3,-0.2 0.271 108.8-122.9 -96.9 4.8 33.8 7.7 -0.7 507 87 D T T < 5 - 0 0 82 -3,-1.1 2,-1.9 -4,-0.3 -3,-0.2 0.914 36.0-176.3 44.0 59.7 30.3 7.2 -2.3 508 88 D L < + 0 0 2 -5,-2.1 -1,-0.2 -6,-0.2 -19,-0.1 -0.519 12.6 167.0 -80.7 76.5 29.1 10.8 -1.4 509 89 D S + 0 0 83 -2,-1.9 -1,-0.2 -3,-0.2 3,-0.1 0.638 41.5 83.3 -82.3 -15.1 25.6 10.1 -2.8 510 90 D W S S- 0 0 15 1,-0.2 -22,-0.1 -3,-0.1 -24,-0.0 -0.230 102.7 -53.1 -77.6 177.2 23.7 13.1 -1.5 511 91 D D E - a 0 488L 46 -24,-0.7 -22,-3.1 1,-0.0 2,-0.4 -0.268 59.5-163.2 -55.1 134.9 23.7 16.4 -3.3 512 92 D Q E + a 0 489L 1 -24,-0.2 -76,-0.6 -3,-0.1 2,-0.3 -0.989 10.8 176.9-127.7 124.7 27.2 17.8 -4.1 513 93 D V E +Xa 435 490L 0 -24,-3.3 -22,-2.7 -2,-0.4 2,-0.3 -0.891 6.4 164.0-123.7 156.3 28.3 21.4 -5.1 514 94 D C E - a 0 491L 0 -80,-2.0 -22,-0.1 -2,-0.3 -20,-0.1 -0.886 18.9-169.9-157.5 136.3 31.6 23.0 -5.7 515 95 D D - 0 0 58 -24,-0.5 -23,-0.1 -2,-0.3 -21,-0.1 0.232 44.0-122.2-114.5 13.7 32.4 26.4 -7.5 516 96 D F S S+ 0 0 62 -23,-0.4 -24,-0.1 -25,-0.3 -22,-0.1 0.640 75.0 120.8 68.9 23.4 36.2 25.8 -7.6 517 97 D T > - 0 0 49 1,-0.2 3,-1.1 -24,-0.1 -23,-0.1 0.610 52.0-163.4 -90.6 -13.8 37.4 28.8 -5.8 518 98 D G G > - 0 0 1 -25,-0.8 3,-2.0 1,-0.2 -1,-0.2 -0.420 62.3 -6.6 77.9-150.1 39.2 26.9 -3.0 519 99 D L G 3 S+ 0 0 10 -268,-1.9 -1,-0.2 1,-0.3 -268,-0.1 0.636 130.7 64.6 -59.5 -22.7 40.3 28.5 0.2 520 100 D S G < S+ 0 0 47 -3,-1.1 -1,-0.3 -269,-0.1 -2,-0.2 0.334 74.4 145.3 -83.6 8.5 39.2 31.9 -1.2 521 101 D S <> - 0 0 3 -3,-2.0 4,-2.0 1,-0.2 5,-0.1 -0.228 42.3-156.1 -49.8 126.9 35.6 30.5 -1.2 522 102 D E H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.847 94.7 56.3 -70.8 -34.5 33.1 33.3 -0.5 523 103 D T H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 108.1 48.1 -60.9 -43.9 30.5 30.8 0.7 524 104 D A H 4>S+ 0 0 2 2,-0.2 5,-3.1 1,-0.2 -2,-0.2 0.940 112.8 49.2 -63.8 -47.4 33.1 29.4 3.3 525 105 D K H ><5S+ 0 0 114 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.943 112.3 47.2 -53.7 -51.1 33.9 33.0 4.4 526 106 D Q H 3<5S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.792 113.1 46.6 -65.4 -34.0 30.2 33.9 4.8 527 107 D Y T 3<5S- 0 0 3 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.292 114.3-121.9 -83.7 7.8 29.3 30.8 6.7 528 108 D A T < 5 + 0 0 46 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.930 46.2 173.9 50.4 51.2 32.5 31.5 8.8 529 109 D I < + 0 0 0 -5,-3.1 -1,-0.2 1,-0.2 3,-0.1 -0.847 7.1 168.4 -90.1 116.7 34.0 28.1 7.9 530 110 D L + 0 0 59 -2,-0.7 -290,-2.4 1,-0.2 2,-0.3 0.680 60.2 19.8-105.8 -25.8 37.5 28.3 9.4 531 111 D T S S- 0 0 28 -292,-0.2 -1,-0.2 -291,-0.1 -74,-0.1 -0.916 86.5 -82.7-141.0 162.9 38.6 24.6 9.0 532 112 D L S S+ 0 0 5 -2,-0.3 -74,-0.2 -3,-0.1 2,-0.1 -0.942 96.7 29.5-123.8 146.8 37.6 21.5 7.0 533 113 D P S S+ 0 0 32 0, 0.0 2,-0.3 0, 0.0 -75,-0.2 0.666 76.9 164.4 -74.1 158.4 35.5 19.4 7.3 534 114 D T E -Z 457 0L 4 -77,-2.0 -77,-3.0 -2,-0.1 2,-0.4 -0.970 24.5-150.8-140.9 132.1 32.8 21.4 9.0 535 115 D N E -Z 456 0L 11 -2,-0.3 13,-2.3 -79,-0.2 14,-0.5 -0.809 11.7-172.2 -98.1 140.1 29.1 20.5 9.4 536 116 D I E -ZB 455 547L 0 -81,-2.6 -81,-3.3 -2,-0.4 2,-0.6 -0.999 10.2-151.9-132.3 127.8 26.5 23.4 9.7 537 117 D L E -ZB 454 546L 1 9,-3.1 8,-3.5 -2,-0.4 9,-1.0 -0.904 13.1-167.7-109.3 126.6 22.9 22.6 10.5 538 118 D L E -ZB 453 544L 0 -85,-3.0 -85,-2.1 -2,-0.6 6,-0.2 -0.867 16.2-130.1-112.6 143.4 20.1 24.9 9.2 539 119 D S > - 0 0 11 4,-2.1 3,-3.0 -2,-0.4 -88,-0.2 -0.463 38.9 -97.2 -78.6 161.9 16.5 25.1 10.2 540 120 D P T 3 S+ 0 0 38 0, 0.0 -90,-0.6 0, 0.0 -89,-0.3 0.873 128.0 52.9 -42.8 -39.3 13.7 25.2 7.4 541 121 D T T 3 S- 0 0 96 -91,-0.1 -113,-0.1 -92,-0.1 -89,-0.1 0.324 124.0-102.5 -87.2 9.3 13.8 29.0 7.9 542 122 D G S < S+ 0 0 2 -3,-3.0 -114,-1.7 1,-0.2 2,-0.3 0.511 70.3 141.2 89.9 6.6 17.5 29.4 7.3 543 123 D K B -V 427 0J 107 -116,-0.2 -4,-2.1 1,-0.1 2,-0.5 -0.660 58.0-114.3 -93.2 142.5 18.9 29.8 10.9 544 124 D I E +B 538 0L 48 -118,-2.7 -6,-0.2 -2,-0.3 3,-0.1 -0.563 36.7 175.7 -70.9 115.3 22.1 28.3 11.9 545 125 D L E - 0 0 64 -8,-3.5 2,-0.3 -2,-0.5 -1,-0.2 0.769 63.7 -12.2 -92.6 -30.9 21.1 25.8 14.6 546 126 D A E -B 537 0L 20 -9,-1.0 -9,-3.1 3,-0.0 -1,-0.4 -0.949 61.3-169.0-164.0 150.3 24.5 24.2 15.3 547 127 D R E +B 536 0L 72 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.975 64.3 26.5-143.8 161.3 27.9 24.1 13.7 548 128 D D S S+ 0 0 71 -13,-2.3 2,-0.4 -2,-0.3 -12,-0.1 0.775 80.0 151.9 63.2 32.1 31.2 22.2 14.0 549 129 D I + 0 0 21 -14,-0.5 2,-0.3 4,-0.1 -1,-0.2 -0.773 15.2 166.1-103.2 139.6 29.4 19.1 15.4 550 130 D Q >> - 0 0 20 -455,-0.5 3,-1.3 -2,-0.4 4,-0.8 -0.866 51.7 -1.2-134.8 169.0 30.7 15.5 14.9 551 131 D G H >> S- 0 0 7 -2,-0.3 4,-2.8 1,-0.3 3,-0.7 -0.169 132.5 -5.9 54.8-132.6 29.8 12.2 16.5 552 132 D E H 3> S+ 0 0 83 -458,-2.3 4,-2.3 1,-0.3 5,-0.5 0.796 130.1 66.0 -69.9 -30.7 27.0 12.3 19.2 553 133 D A H <> S+ 0 0 30 -3,-1.3 4,-0.7 -459,-0.9 -1,-0.3 0.874 114.1 33.7 -55.6 -35.7 27.0 16.2 19.0 554 134 D L H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 3,-0.7 0.944 108.4 53.7 -67.0 -48.0 19.3 15.4 14.6 559 139 D K H 3< S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 110.6 49.2 -45.9 -43.9 17.5 12.8 16.6 560 140 D E H 3< S+ 0 0 136 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.708 117.0 39.9 -78.1 -19.3 16.1 15.6 18.7 561 141 D L H << 0 0 46 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.821 360.0 360.0 -92.8 -31.8 15.0 17.7 15.6 562 142 D L < 0 0 56 -4,-2.8 -83,-0.0 -5,-0.1 -77,-0.0 -0.253 360.0 360.0-107.3 360.0 13.6 14.9 13.3