==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUL-00 1E5D . COMPND 2 MOLECULE: RUBREDOXIN\:OXYGEN OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR C.FRAZAO,G.SILVA,C.M.GOMES,P.MATIAS,R.COELHO,L.SIEKER, . 802 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 613 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 77 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 0 2 4 0 3 2 3 0 4 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 7 4 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 PARALLEL BRIDGES PER LADDER . 2 4 8 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 4 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 2 A Q 0 0 115 0, 0.0 60,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -10.7 68.6 44.1 18.1 2 3 A A - 0 0 29 59,-0.4 2,-0.5 58,-0.2 10,-0.2 -0.394 360.0-147.5 -77.2 147.8 69.0 40.5 16.9 3 4 A T E -A 11 0A 37 8,-2.1 8,-3.0 -2,-0.1 2,-0.5 -0.958 13.1-130.7-118.8 126.2 70.8 37.9 19.0 4 5 A K E +A 10 0A 115 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.616 28.7 170.9 -78.7 122.0 72.7 35.0 17.4 5 6 A I E S- 0 0 18 4,-3.0 2,-0.3 1,-0.6 -1,-0.2 0.925 72.2 -23.5 -89.4 -64.0 71.8 31.7 19.0 6 7 A I E > S-A 9 0A 41 3,-0.6 3,-3.0 1,-0.0 -1,-0.6 -0.848 99.2 -56.0-133.7 168.4 73.5 29.5 16.5 7 8 A D T 3 S+ 0 0 120 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 -0.215 128.4 5.8 -50.8 123.2 74.5 30.1 12.9 8 9 A G T 3 S+ 0 0 10 1,-0.2 32,-3.3 31,-0.1 2,-0.5 0.435 110.9 101.0 79.9 -0.6 71.4 31.0 10.9 9 10 A F E < +AB 6 39A 2 -3,-3.0 -4,-3.0 30,-0.2 -3,-0.6 -0.962 49.2 179.3-117.9 118.3 69.3 31.2 14.1 10 11 A H E -AB 4 38A 21 28,-3.3 28,-2.9 -2,-0.5 2,-0.6 -0.963 26.2-136.8-128.2 143.3 68.5 34.5 15.6 11 12 A L E +AB 3 37A 4 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.3 -0.779 34.3 171.4 -83.4 117.6 66.5 35.7 18.6 12 13 A V E + B 0 36A 1 24,-3.2 24,-2.9 -2,-0.6 2,-0.4 -0.892 24.5 69.3-125.3 163.0 64.4 38.7 17.7 13 14 A G E S- B 0 35A 5 44,-0.4 2,-0.4 -2,-0.3 22,-0.2 -0.993 72.4 -46.6 141.6-138.4 61.6 40.7 19.6 14 15 A A E - B 0 34A 2 20,-2.0 20,-3.0 -2,-0.4 2,-0.6 -0.994 25.3-139.2-146.5 138.3 61.3 42.9 22.6 15 16 A I E - B 0 33A 29 -2,-0.4 2,-0.9 18,-0.2 18,-0.3 -0.824 18.7-157.8 -87.4 121.7 62.4 43.1 26.2 16 17 A D E > + B 0 32A 15 16,-3.2 16,-1.4 -2,-0.6 3,-1.3 -0.662 19.1 170.3-106.5 78.8 59.5 44.5 28.3 17 18 A W T 3 S+ 0 0 141 -2,-0.9 -1,-0.2 1,-0.2 154,-0.1 0.825 73.7 51.1 -53.0 -38.0 61.2 45.9 31.3 18 19 A N T 3 S+ 0 0 135 -3,-0.2 -1,-0.2 13,-0.1 2,-0.1 0.498 73.8 125.8 -88.2 -5.0 58.1 47.6 32.7 19 20 A S < + 0 0 12 -3,-1.3 12,-0.7 1,-0.2 3,-0.2 -0.274 14.1 141.0 -56.7 120.9 55.7 44.7 32.6 20 21 A R + 0 0 131 1,-0.4 8,-2.8 -2,-0.1 2,-1.1 0.629 64.6 57.9-124.2 -52.1 54.2 44.2 36.0 21 22 A D E S-G 27 0B 75 6,-0.2 2,-0.9 7,-0.1 -1,-0.4 -0.727 83.7-154.8 -72.8 101.6 50.6 43.3 35.3 22 23 A F E >> -G 26 0B 1 4,-2.5 4,-1.9 -2,-1.1 3,-1.4 -0.762 62.9 -41.3 -89.6 104.6 51.3 40.3 33.1 23 24 A H T 34 S- 0 0 11 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.671 102.2 -72.1 51.1 28.3 48.3 39.8 30.7 24 25 A G T 34 S+ 0 0 10 2,-0.3 -1,-0.3 1,-0.1 638,-0.1 0.257 127.0 66.6 84.5 -14.7 45.7 40.6 33.3 25 26 A Y T <4 S+ 0 0 9 -3,-1.4 2,-0.2 1,-0.1 -2,-0.2 0.793 100.2 17.9-114.2 -30.4 46.0 37.4 35.4 26 27 A T E < S-G 22 0B 8 -4,-1.9 -4,-2.5 267,-0.1 2,-0.4 -0.770 72.8 -99.9-133.9 177.6 49.4 37.4 37.1 27 28 A L E -G 21 0B 53 -2,-0.2 -6,-0.2 -6,-0.2 -7,-0.1 -0.827 13.7-165.8-102.3 144.8 52.4 39.5 38.1 28 29 A S > + 0 0 0 -8,-2.8 3,-2.4 -2,-0.4 -7,-0.1 -0.714 14.8 172.5-122.1 74.8 55.7 39.8 36.3 29 30 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.695 80.3 44.9 -61.3 -20.9 57.8 41.5 38.9 30 31 A M T 3 S- 0 0 70 1,-0.5 141,-2.5 139,-0.4 -10,-0.1 0.138 112.9-118.7-108.1 15.7 60.9 41.1 36.8 31 32 A G < - 0 0 0 -3,-2.4 -1,-0.5 -12,-0.7 2,-0.3 -0.419 31.2-123.4 79.3-163.2 59.4 42.2 33.6 32 33 A T E -B 16 0A 0 -16,-1.4 -16,-3.2 138,-0.2 2,-0.3 -0.963 9.8-127.1-166.3 178.6 59.2 39.9 30.6 33 34 A T E -B 15 0A 0 -2,-0.3 2,-0.5 135,-0.3 -18,-0.2 -0.928 10.6-134.5-135.1 166.3 60.2 39.5 27.0 34 35 A Y E -B 14 0A 2 -20,-3.0 -20,-2.0 -2,-0.3 2,-0.5 -0.954 30.1-162.5-123.8 110.0 58.6 38.6 23.7 35 36 A N E +B 13 0A 2 189,-3.3 2,-0.3 -2,-0.5 14,-0.2 -0.818 17.1 167.9-103.3 126.8 60.7 36.1 21.8 36 37 A A E -B 12 0A 0 -24,-2.9 -24,-3.2 -2,-0.5 2,-0.5 -0.922 24.1-138.3-127.2 154.9 60.5 35.3 18.1 37 38 A Y E -BC 11 47A 2 10,-2.4 10,-3.1 -2,-0.3 2,-0.6 -0.968 5.8-157.4-128.3 122.1 63.1 33.3 16.2 38 39 A L E -BC 10 46A 0 -28,-2.9 -28,-3.3 -2,-0.5 2,-0.6 -0.836 10.8-165.7 -91.3 118.9 64.4 34.0 12.7 39 40 A V E -BC 9 45A 0 6,-3.7 6,-2.4 -2,-0.6 2,-0.7 -0.931 11.3-144.8-113.2 114.4 65.8 31.0 10.9 40 41 A E + 0 0 64 -32,-3.3 2,-0.2 -2,-0.6 4,-0.1 -0.714 44.4 127.1 -80.7 111.4 67.9 31.6 7.8 41 42 A D S S- 0 0 15 -2,-0.7 91,-0.2 90,-0.1 3,-0.1 -0.728 78.9 -82.4-139.7-171.5 67.4 28.9 5.2 42 43 A E S S+ 0 0 132 1,-0.3 2,-0.9 89,-0.2 90,-0.2 0.978 136.5 43.4 -62.3 -51.9 66.5 28.9 1.5 43 44 A K S S- 0 0 55 88,-3.5 2,-0.5 -3,-0.1 -1,-0.3 -0.839 100.4-147.6 -82.5 102.3 63.0 29.2 2.8 44 45 A T - 0 0 11 -2,-0.9 28,-2.7 26,-0.5 29,-2.0 -0.660 18.4-159.7 -85.0 128.9 63.6 31.8 5.5 45 46 A T E -Cd 39 73A 1 -6,-2.4 -6,-3.7 -2,-0.5 2,-0.5 -0.878 20.9-158.8-124.1 139.8 61.3 31.4 8.5 46 47 A L E -Cd 38 74A 0 27,-2.4 29,-2.8 -2,-0.4 2,-0.4 -0.936 14.8-158.2-106.5 121.0 60.0 33.4 11.4 47 48 A F E -Cd 37 75A 0 -10,-3.1 -10,-2.4 -2,-0.5 29,-0.2 -0.900 59.6 -10.5-102.3 137.6 58.7 31.5 14.4 48 49 A D - 0 0 0 27,-2.2 2,-0.2 -2,-0.4 27,-0.2 0.020 67.6-134.0 66.9-176.0 56.3 33.3 16.8 49 50 A T - 0 0 2 34,-0.8 2,-0.3 -14,-0.2 35,-0.2 -0.609 21.8-111.2-148.0-161.7 55.5 37.0 16.6 50 51 A V - 0 0 0 -2,-0.2 36,-1.0 -37,-0.1 37,-0.2 -0.873 44.2 -62.5-133.0 179.7 55.3 39.6 19.5 51 52 A K > - 0 0 50 -2,-0.3 3,-2.5 31,-0.2 31,-0.2 -0.374 59.1-111.9 -52.0 140.9 52.8 41.8 21.3 52 53 A A G > S+ 0 0 35 29,-0.3 3,-1.9 1,-0.3 4,-0.3 0.822 114.9 62.6 -50.1 -38.2 51.3 44.1 18.7 53 54 A E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.548 102.7 51.3 -69.7 -7.5 52.9 47.2 20.3 54 55 A Y G <> + 0 0 48 -3,-2.5 4,-2.3 1,-0.1 -1,-0.3 0.234 69.4 111.6-114.2 12.7 56.3 45.7 19.6 55 56 A K H <> S+ 0 0 76 -3,-1.9 4,-3.1 1,-0.2 5,-0.3 0.903 79.8 54.6 -50.8 -42.2 56.0 45.0 15.9 56 57 A G H > S+ 0 0 43 -4,-0.3 4,-2.7 1,-0.2 5,-0.2 0.954 107.2 46.2 -58.8 -51.4 58.5 47.8 15.3 57 58 A E H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -44,-0.4 0.884 114.3 51.7 -60.8 -33.4 61.2 46.4 17.6 58 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.961 111.0 44.6 -66.1 -49.9 60.5 43.0 16.0 59 60 A L H X S+ 0 0 40 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.890 112.1 53.4 -64.5 -37.1 60.9 44.2 12.4 60 61 A C H X S+ 0 0 93 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.936 111.6 45.5 -59.4 -46.4 64.0 46.2 13.3 61 62 A G H >< S+ 0 0 0 -4,-2.0 3,-1.2 -5,-0.2 4,-0.5 0.964 113.8 48.4 -63.2 -53.6 65.6 43.1 14.8 62 63 A I H >X S+ 0 0 0 -4,-2.9 3,-2.3 1,-0.3 4,-2.0 0.925 108.6 54.1 -45.2 -54.4 64.6 41.0 11.8 63 64 A A H 3< S+ 0 0 52 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 93.6 71.3 -60.7 -21.1 65.9 43.6 9.4 64 65 A S T << S+ 0 0 73 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.713 112.9 28.7 -67.1 -19.9 69.3 43.5 11.2 65 66 A V T <4 S- 0 0 34 -3,-2.3 2,-0.3 -4,-0.5 -2,-0.2 0.737 136.0 -15.6-104.5 -38.9 69.7 40.1 9.7 66 67 A I S < S- 0 0 29 -4,-2.0 -1,-0.4 -26,-0.0 5,-0.1 -0.988 77.0 -79.6-167.0 154.6 67.7 40.3 6.5 67 68 A D > - 0 0 82 -2,-0.3 3,-2.8 1,-0.2 4,-0.4 -0.570 41.8-131.7 -67.4 125.0 65.1 42.3 4.6 68 69 A P G > S+ 0 0 18 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.766 103.8 66.3 -49.6 -31.1 61.7 41.3 6.1 69 70 A K G 3 S+ 0 0 118 1,-0.3 25,-0.1 27,-0.0 -2,-0.1 0.573 91.5 64.8 -72.1 -6.2 60.2 40.8 2.6 70 71 A K G < S+ 0 0 116 -3,-2.8 -26,-0.5 26,-0.0 -1,-0.3 0.605 76.5 104.1 -87.1 -15.8 62.7 37.9 2.1 71 72 A I < + 0 0 2 -3,-1.6 -26,-0.2 -4,-0.4 26,-0.1 -0.478 45.5 178.2 -65.7 133.4 61.0 35.9 4.8 72 73 A D + 0 0 40 -28,-2.7 26,-2.1 -2,-0.2 25,-1.7 0.799 56.5 50.0-104.1 -36.4 58.9 33.2 3.2 73 74 A Y E -de 45 98A 18 -29,-2.0 -27,-2.4 23,-0.2 2,-0.5 -0.851 51.9-169.1-116.3 141.3 57.4 31.3 6.1 74 75 A L E -de 46 99A 0 24,-2.6 26,-4.1 -2,-0.4 2,-0.7 -0.992 9.0-163.6-121.9 120.8 55.6 32.3 9.3 75 76 A V E -de 47 100A 0 -29,-2.8 -27,-2.2 -2,-0.5 2,-0.8 -0.903 3.1-166.3-107.1 112.0 55.0 29.6 11.9 76 77 A I E + e 0 101A 0 24,-3.7 26,-0.7 -2,-0.7 3,-0.1 -0.851 13.3 171.5-103.4 109.0 52.4 30.6 14.4 77 78 A Q + 0 0 0 -2,-0.8 73,-1.3 1,-0.2 2,-0.3 0.482 68.2 21.0 -91.9 -11.1 52.6 28.2 17.4 78 79 A H - 0 0 0 71,-0.2 -1,-0.2 2,-0.1 85,-0.0 -0.950 59.8-151.1-160.6 136.5 50.1 30.0 19.8 79 80 A L + 0 0 0 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.513 55.5 122.5-100.5 -2.3 47.3 32.4 19.0 80 81 A E S >> S- 0 0 9 1,-0.2 3,-2.2 3,-0.1 4,-2.0 -0.315 75.8-114.6 -52.5 140.1 47.3 34.3 22.2 81 82 A L H 3> S+ 0 0 32 1,-0.3 4,-1.4 2,-0.2 -29,-0.3 0.672 111.8 63.4 -68.1 -15.2 47.9 37.9 21.3 82 83 A D H 34 S+ 0 0 2 1,-0.2 -1,-0.3 2,-0.2 -31,-0.2 0.787 116.7 33.0 -76.3 -16.3 51.3 38.3 22.9 83 84 A H H <4 S+ 0 0 2 -3,-2.2 -34,-0.8 -33,-0.1 -2,-0.2 0.760 134.6 25.7 -98.6 -36.1 52.5 35.7 20.5 84 85 A A H >< S+ 0 0 0 -4,-2.0 3,-1.8 -35,-0.2 -3,-0.2 0.337 86.8 105.4-113.9 2.7 50.4 36.4 17.4 85 86 A G T 3< S+ 0 0 10 -4,-1.4 4,-0.3 -5,-0.3 -34,-0.2 0.765 84.0 45.4 -62.9 -28.5 49.6 40.1 17.8 86 87 A A T 3> S+ 0 0 1 -36,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.304 81.9 105.0 -97.2 7.5 51.9 41.4 15.2 87 88 A L H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.948 79.4 49.7 -54.5 -53.3 50.8 38.7 12.7 88 89 A P H > S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 112.7 47.1 -52.2 -47.7 48.8 41.2 10.7 89 90 A A H > S+ 0 0 17 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.882 113.1 49.8 -62.2 -35.1 51.7 43.6 10.5 90 91 A L H X>S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.6 0.905 105.6 53.7 -73.8 -39.3 54.1 40.8 9.5 91 92 A I H X5S+ 0 0 30 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.905 113.2 48.2 -55.6 -38.4 51.9 39.4 6.8 92 93 A E H <5S+ 0 0 157 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.935 118.2 35.8 -65.4 -52.9 52.0 43.0 5.5 93 94 A A H <5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.802 128.4 33.7 -76.9 -29.2 55.7 43.5 5.7 94 95 A C H <5S- 0 0 1 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.762 80.4-151.4-100.1 -27.5 56.8 40.1 4.8 95 96 A Q << - 0 0 137 -4,-1.6 -4,-0.1 -5,-0.6 -3,-0.1 0.981 31.1-152.1 50.1 59.7 54.2 39.0 2.3 96 97 A P - 0 0 12 0, 0.0 -23,-0.2 0, 0.0 -24,-0.2 -0.264 21.1-141.3 -70.0 149.9 54.9 35.4 3.4 97 98 A E S S+ 0 0 99 -25,-1.7 2,-0.4 1,-0.3 -24,-0.2 0.884 85.7 15.2 -72.9 -37.2 54.3 32.5 1.0 98 99 A K E -e 73 0A 57 -26,-2.1 -24,-2.6 2,-0.0 2,-0.6 -0.984 56.2-154.7-147.1 141.8 53.0 30.4 3.9 99 100 A I E -ef 74 120A 0 20,-2.7 22,-2.7 -2,-0.4 2,-0.5 -0.956 21.4-156.4-109.3 114.8 51.7 30.7 7.4 100 101 A F E +ef 75 121A 1 -26,-4.1 -24,-3.7 -2,-0.6 2,-0.3 -0.835 25.8 148.9 -97.0 127.9 52.1 27.6 9.4 101 102 A T E -ef 76 122A 0 20,-1.4 22,-2.2 -2,-0.5 -24,-0.2 -0.962 47.0 -92.4-147.6 162.3 49.9 26.9 12.4 102 103 A S E > - f 0 123A 2 -26,-0.7 4,-2.7 46,-0.3 5,-0.2 -0.242 41.1-108.9 -70.1 167.1 48.4 24.0 14.2 103 104 A S H > S+ 0 0 49 20,-0.6 4,-1.6 2,-0.2 -1,-0.1 0.963 126.2 42.1 -63.6 -45.9 44.9 22.8 13.3 104 105 A L H > S+ 0 0 52 1,-0.2 4,-2.6 43,-0.2 44,-0.3 0.890 111.9 59.3 -67.6 -32.3 43.5 24.1 16.5 105 106 A G H > S+ 0 0 0 43,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.893 101.4 50.9 -57.8 -39.8 45.8 27.1 15.8 106 107 A Q H X S+ 0 0 33 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.916 109.1 54.1 -70.5 -29.6 44.1 27.9 12.6 107 108 A K H >X S+ 0 0 107 -4,-1.6 4,-1.6 -5,-0.2 3,-1.0 0.983 112.0 41.3 -59.0 -58.6 40.8 27.7 14.4 108 109 A A H 3X S+ 0 0 11 -4,-2.6 4,-1.4 1,-0.3 5,-0.3 0.825 107.1 65.7 -61.0 -28.9 41.9 30.3 17.0 109 110 A M H 3X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 5,-0.5 0.870 103.6 45.2 -66.9 -28.8 43.4 32.3 14.2 110 111 A E H - 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0 0 67 -2,-1.2 -1,-0.1 -62,-0.1 19,-0.1 -0.777 35.7-161.2-133.3 84.8 12.7 64.3 65.9 620 219 B P - 0 0 13 0, 0.0 -59,-0.2 0, 0.0 3,-0.1 -0.227 33.2-168.8 -68.4 156.2 16.3 65.5 66.5 621 220 B E S S+ 0 0 81 -61,-2.7 12,-4.4 1,-0.3 2,-0.4 0.362 91.9 43.0-105.9 -18.6 17.9 68.8 66.0 622 221 B F E -dE 561 632I 19 -62,-1.8 -60,-3.5 10,-0.2 2,-0.5 -0.981 61.7-177.3-134.2 120.2 21.1 66.9 66.5 623 222 B I E -dE 562 631I 0 8,-2.0 8,-2.9 -2,-0.4 -60,-0.2 -0.987 13.4-165.6-115.6 122.2 22.2 63.6 65.2 624 223 B C E -d 563 0I 1 -62,-3.8 -60,-0.7 -2,-0.5 -59,-0.5 -0.854 8.4-174.3-115.9 93.9 25.6 62.5 66.5 625 224 B P E -d 565 0I 0 0, 0.0 -59,-0.2 0, 0.0 -57,-0.1 -0.407 35.2-118.1 -84.5 161.7 27.2 59.6 64.6 626 225 B D S S+ 0 0 4 -61,-2.6 -189,-2.8 -59,-0.1 2,-0.4 0.699 99.2 40.5 -65.6 -26.3 30.4 57.7 65.4 627 226 B H S S- 0 0 1 -62,-0.4 -57,-1.6 -191,-0.2 2,-0.2 -0.990 107.1 -3.0-132.1 134.0 32.1 58.8 62.1 628 227 B G S S- 0 0 0 -2,-0.4 -57,-0.1 -56,-0.2 2,-0.1 -0.495 97.3 -14.7 91.8-161.0 32.0 62.1 60.2 629 228 B V - 0 0 0 -2,-0.2 2,-0.4 1,-0.1 -51,-0.3 -0.316 64.9-106.6 -83.2 161.5 30.2 65.4 61.0 630 229 B I B -f 578 0J 1 -53,-4.2 -51,-3.5 -6,-0.1 2,-0.8 -0.716 28.8-122.8 -86.1 137.2 27.4 66.1 63.4 631 230 B F E -E 623 0I 0 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.6 -0.743 34.6-170.1 -83.0 112.8 24.0 66.7 61.9 632 231 B R E +E 622 0I 84 -2,-0.8 4,-0.2 -10,-0.2 -10,-0.2 -0.910 44.9 28.7-112.3 111.3 23.1 70.1 63.2 633 232 B G S > S- 0 0 17 -12,-4.4 4,-3.3 -2,-0.6 5,-0.3 -0.018 80.1-100.1 117.3 139.3 19.6 71.4 62.7 634 233 B A H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.835 123.7 51.8 -60.2 -31.2 16.1 69.9 62.4 635 234 B D H > S+ 0 0 113 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.952 112.1 44.9 -70.5 -46.3 16.3 70.4 58.6 636 235 B Q H > S+ 0 0 33 -4,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.951 113.1 49.6 -60.2 -49.9 19.7 68.6 58.4 637 236 B C H X S+ 0 0 2 -4,-3.3 4,-1.7 2,-0.2 -1,-0.2 0.831 111.8 50.1 -59.5 -29.4 18.6 65.8 60.7 638 237 B T H X S+ 0 0 75 -4,-1.4 4,-2.7 -5,-0.3 -1,-0.2 0.924 107.2 54.4 -74.2 -43.0 15.5 65.5 58.5 639 238 B F H X S+ 0 0 46 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.959 108.1 50.8 -43.5 -59.7 17.8 65.4 55.5 640 239 B A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.878 112.1 44.7 -50.2 -46.9 19.6 62.5 57.2 641 240 B V H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.863 110.4 53.1 -76.1 -34.8 16.5 60.4 57.9 642 241 B Q H X S+ 0 0 128 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.984 110.8 48.1 -57.4 -57.1 14.9 60.9 54.5 643 242 B K H X S+ 0 0 35 -4,-2.2 4,-4.1 2,-0.3 5,-0.2 0.851 107.7 53.9 -52.1 -43.8 18.1 59.7 52.8 644 243 B Y H X S+ 0 0 2 -4,-1.9 4,-3.4 -5,-0.2 5,-0.3 0.968 110.7 47.8 -59.3 -47.2 18.4 56.7 55.0 645 244 B V H X S+ 0 0 37 -4,-2.3 4,-1.9 1,-0.2 -2,-0.3 0.936 113.9 46.9 -56.0 -47.9 14.8 55.8 54.0 646 245 B E H X>S+ 0 0 87 -4,-3.1 4,-1.7 1,-0.2 5,-0.5 0.952 113.3 49.2 -60.1 -45.7 15.7 56.4 50.3 647 246 B Y H <5S+ 0 0 7 -4,-4.1 3,-0.4 1,-0.2 -2,-0.2 0.956 112.0 46.0 -61.2 -49.4 18.9 54.4 50.7 648 247 B A H <5S+ 0 0 5 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 107.8 59.9 -61.9 -29.2 17.2 51.4 52.3 649 248 B E H <5S- 0 0 89 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.876 84.4-163.7 -71.9 -34.0 14.4 51.5 49.8 650 249 B Q T <5 - 0 0 8 -4,-1.7 -3,-0.1 -3,-0.4 -2,-0.1 0.913 13.1-176.9 57.8 42.6 16.9 51.0 46.9 651 250 B K < - 0 0 129 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.0 -0.565 28.0-105.5 -73.8 144.1 14.5 52.1 44.2 652 251 B P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 54,-0.2 -0.119 34.8-170.5 -58.8 156.2 15.9 51.9 40.7 653 252 B T - 0 0 53 2,-0.3 2,-0.5 51,-0.0 53,-0.3 -0.817 44.0 -89.3-137.7 177.8 17.0 54.8 38.6 654 253 B N S S+ 0 0 55 -2,-0.3 30,-3.3 51,-0.1 2,-0.5 -0.141 87.9 118.8 -85.3 39.5 18.1 55.2 34.9 655 254 B K E -g 684 0K 25 -2,-0.5 51,-2.1 49,-0.2 52,-1.8 -0.896 47.0-162.8-110.1 133.0 21.6 54.4 35.9 656 255 B V E -gh 685 707K 0 28,-3.6 30,-2.9 -2,-0.5 2,-0.6 -0.957 0.7-163.7-116.2 129.9 23.6 51.4 34.5 657 256 B V E -gh 686 708K 0 50,-2.8 52,-3.0 -2,-0.5 2,-0.5 -0.952 7.0-175.6-110.7 117.9 26.7 50.1 36.1 658 257 B I E +gh 687 709K 0 28,-2.5 30,-3.2 -2,-0.6 2,-0.4 -0.940 5.6 177.1-107.8 122.2 28.9 47.8 34.0 659 258 B F E +gh 688 710K 0 50,-2.8 52,-2.5 -2,-0.5 2,-0.3 -0.972 10.6 148.9-128.9 147.4 31.9 46.2 35.7 660 259 B Y E -gh 689 711K 13 28,-1.4 30,-2.7 -2,-0.4 2,-0.3 -0.941 30.7-142.6-156.6 169.5 34.3 43.8 34.2 661 260 B D - 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