==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 12-SEP-07 2R91 . COMPND 2 MOLECULE: 2-KETO-3-DEOXY-(6-PHOSPHO-)GLUCONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS TENAX; . AUTHOR A.PAULUHN,E.POHL,E.LORENTZEN,B.SIEBERS,H.AHMED,S.BUCHINGER, . 1144 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 887 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 84 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 473 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.1 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 4 1 4 4 0 0 5 0 4 12 8 0 2 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 17 5 3 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 . 5 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 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 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 21 A M 0 0 88 0, 0.0 191,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 140.7 76.1 52.1 6.0 2 22 A E E -a 192 0A 39 189,-2.3 191,-2.2 31,-0.0 2,-0.6 -0.595 360.0-147.0 -96.3 144.8 78.4 49.2 6.4 3 23 A I E -a 193 0A 0 29,-0.4 31,-2.6 -2,-0.2 32,-1.5 -0.952 25.7-170.2 -99.9 114.9 78.3 45.5 5.6 4 24 A V E -b 35 0A 2 189,-2.7 191,-0.4 -2,-0.6 194,-0.2 -0.935 11.2-146.1-110.0 126.7 80.3 43.8 8.3 5 25 A A E -b 36 0A 0 30,-2.5 32,-3.2 -2,-0.5 2,-1.7 -0.841 7.4-151.9 -95.6 119.4 81.2 40.1 7.9 6 26 A P E -b 37 0A 1 0, 0.0 32,-0.2 0, 0.0 193,-0.1 -0.707 41.5-144.0 -81.0 89.1 81.3 37.9 11.1 7 27 A V - 0 0 0 -2,-1.7 32,-0.4 30,-1.3 33,-0.4 -0.232 2.4-113.3 -69.5 143.2 83.8 35.8 9.2 8 28 A I - 0 0 0 188,-0.1 2,-0.6 35,-0.1 35,-0.2 -0.424 23.8-123.8 -66.4 150.5 84.0 32.0 9.4 9 29 A T - 0 0 0 33,-0.4 2,-1.0 -2,-0.1 -1,-0.1 -0.881 27.3-141.6 -97.3 116.3 87.2 30.5 11.0 10 30 A T - 0 0 3 -2,-0.6 7,-3.1 7,-0.2 11,-0.3 -0.693 21.4-175.6 -93.0 96.7 88.5 28.1 8.4 11 31 A F E +IJ 16 257B 3 246,-2.3 246,-1.8 -2,-1.0 2,-0.3 -0.596 5.9 173.8 -82.7 147.4 90.0 24.9 9.9 12 32 A R E > S+I 15 0B 103 3,-3.1 3,-1.5 -2,-0.2 -2,-0.0 -0.917 70.5 1.8-150.3 135.5 91.7 22.2 7.8 13 33 A G T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.793 131.5 -58.2 60.0 28.5 93.4 19.1 9.1 14 34 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.261 122.4 81.1 89.3 -11.8 92.5 20.1 12.6 15 35 A R E < S-I 12 0B 189 -3,-1.5 -3,-3.1 -5,-0.0 -1,-0.2 -0.800 90.6 -82.9-121.9 164.4 94.2 23.5 12.6 16 36 A L E -I 11 0B 25 -2,-0.3 -5,-0.3 -5,-0.3 240,-0.0 -0.471 36.6-150.1 -60.9 132.5 93.4 27.0 11.3 17 37 A D > - 0 0 20 -7,-3.1 4,-2.0 -2,-0.2 -7,-0.2 -0.906 12.4-174.1-109.9 105.3 94.3 27.4 7.7 18 38 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.711 82.6 59.3 -76.5 -17.3 95.3 31.0 7.0 19 39 A E H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.938 108.7 43.3 -73.8 -47.4 95.5 30.4 3.3 20 40 A L H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 116.5 50.5 -55.9 -45.1 91.9 29.4 3.0 21 41 A F H X S+ 0 0 3 -4,-2.0 4,-3.0 -11,-0.3 -2,-0.2 0.905 110.7 46.8 -61.6 -45.9 91.0 32.3 5.4 22 42 A A H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.870 111.4 50.4 -65.9 -42.5 92.9 34.9 3.4 23 43 A N H X S+ 0 0 80 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.944 113.7 46.7 -60.0 -47.7 91.4 33.8 0.1 24 44 A H H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.948 113.2 47.6 -61.4 -50.7 87.9 34.0 1.6 25 45 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.917 112.2 49.3 -58.1 -42.8 88.4 37.4 3.2 26 46 A K H X S+ 0 0 119 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.887 111.7 50.3 -68.4 -37.0 89.9 38.9 0.1 27 47 A N H X S+ 0 0 31 -4,-2.3 4,-0.9 -5,-0.2 3,-0.4 0.975 112.8 43.6 -60.7 -54.8 87.0 37.6 -2.0 28 48 A I H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.3 3,-0.7 0.881 111.5 52.7 -68.6 -32.4 84.2 38.9 0.2 29 49 A T H ><5S+ 0 0 49 -4,-2.3 3,-0.9 -5,-0.3 -1,-0.3 0.836 106.2 55.8 -70.8 -26.0 85.8 42.3 0.7 30 50 A S H 3<5S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.730 106.9 52.2 -69.4 -20.2 86.0 42.5 -3.1 31 51 A K T <<5S- 0 0 73 -4,-0.9 175,-0.3 -3,-0.7 -1,-0.2 0.178 136.4 -70.3-106.3 15.2 82.2 41.9 -3.2 32 52 A G T < 5S+ 0 0 19 -3,-0.9 2,-0.5 1,-0.3 -29,-0.4 0.366 81.7 138.2 119.1 -7.4 81.1 44.6 -0.8 33 53 A V < - 0 0 7 -5,-2.1 -1,-0.3 1,-0.2 -29,-0.2 -0.636 26.5-175.1 -71.3 124.8 82.1 43.6 2.8 34 54 A D + 0 0 60 -31,-2.6 2,-0.3 -2,-0.5 -30,-0.2 0.785 65.1 23.1 -87.2 -37.5 83.4 46.8 4.4 35 55 A V E -b 4 0A 1 -32,-1.5 -30,-2.5 30,-0.1 2,-0.5 -0.985 68.3-137.4-139.0 139.9 84.7 45.5 7.8 36 56 A V E -bc 5 67A 0 30,-2.8 32,-2.9 -2,-0.3 2,-0.7 -0.914 13.0-160.2-102.6 124.5 85.8 42.0 8.9 37 57 A F E > -bc 6 68A 5 -32,-3.2 -30,-1.3 -2,-0.5 3,-0.5 -0.920 16.0-156.9-104.1 107.4 84.5 40.9 12.4 38 58 A V E 3 + c 0 69A 1 30,-2.6 32,-2.8 -2,-0.7 -30,-0.1 -0.700 64.4 10.7 -93.6 142.8 86.8 38.1 13.6 39 59 A A T 3 S+ 0 0 1 -32,-0.4 -1,-0.2 -2,-0.3 9,-0.1 0.776 83.6 145.9 66.0 30.9 85.8 35.4 16.3 40 60 A G S < >S- 0 0 0 -3,-0.5 5,-2.6 -33,-0.4 3,-0.2 -0.200 72.6 -85.3 -74.6-176.3 82.1 36.3 16.3 41 61 A T T > 5S+ 0 0 12 1,-0.2 3,-2.0 3,-0.2 -1,-0.1 0.919 136.2 53.3 -60.1 -42.3 79.6 33.4 16.8 42 62 A T T 3 5S+ 0 0 27 1,-0.3 -33,-0.4 2,-0.1 -1,-0.2 0.834 108.1 52.2 -59.5 -31.5 79.7 32.7 13.1 43 63 A G T 3 5S- 0 0 0 -3,-0.2 -1,-0.3 -35,-0.2 -2,-0.2 0.252 118.7-115.2 -83.9 10.0 83.6 32.5 13.6 44 64 A L T X 5 + 0 0 1 -3,-2.0 3,-2.4 2,-0.1 4,-0.4 0.774 52.8 170.9 61.5 30.3 83.1 30.0 16.4 45 65 A G G > < + 0 0 1 -5,-2.6 3,-2.1 1,-0.3 -4,-0.1 0.813 68.3 47.5 -42.6 -60.4 84.6 32.6 18.8 46 66 A P G 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 315,-0.2 0.653 108.9 57.3 -60.4 -14.2 83.8 30.9 22.2 47 67 A A G < S+ 0 0 7 -3,-2.4 2,-0.4 313,-0.1 -2,-0.2 0.467 92.1 90.0 -88.3 -7.3 85.2 27.6 20.8 48 68 A L S < S- 0 0 8 -3,-2.1 314,-0.1 -4,-0.4 313,-0.0 -0.770 74.0-129.4 -97.7 138.7 88.6 29.2 20.0 49 69 A S > - 0 0 52 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.245 33.8-101.0 -72.5 168.8 91.6 29.3 22.4 50 70 A L H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 125.1 49.9 -55.7 -42.5 93.3 32.5 23.1 51 71 A Q H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 107.9 52.6 -68.7 -36.9 96.2 31.5 20.7 52 72 A E H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 109.3 49.9 -60.9 -40.5 93.7 30.6 18.0 53 73 A K H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.852 109.8 51.3 -67.5 -34.1 92.1 34.0 18.3 54 74 A M H X S+ 0 0 57 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.912 110.5 48.4 -64.1 -44.9 95.6 35.6 18.1 55 75 A E H X S+ 0 0 92 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.914 112.9 48.2 -60.8 -41.5 96.3 33.6 14.9 56 76 A L H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.916 108.5 53.9 -67.5 -40.4 92.9 34.7 13.5 57 77 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.922 110.4 47.6 -57.0 -44.6 93.7 38.3 14.4 58 78 A D H X S+ 0 0 59 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.941 114.3 46.3 -64.2 -45.6 96.9 38.1 12.5 59 79 A A H X S+ 0 0 13 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.907 115.2 46.1 -63.8 -42.5 95.2 36.5 9.5 60 80 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 3,-0.5 0.949 113.4 47.4 -67.6 -50.5 92.3 39.0 9.5 61 81 A T H < S+ 0 0 34 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.776 113.0 49.1 -66.3 -24.8 94.5 42.2 9.9 62 82 A S H < S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.763 117.8 40.9 -84.8 -15.4 96.8 41.1 7.2 63 83 A A H < S+ 0 0 18 -4,-1.2 2,-0.4 -3,-0.5 -2,-0.2 0.721 118.0 39.3 -98.1 -23.2 93.9 40.3 4.7 64 84 A A < - 0 0 14 -4,-2.3 -1,-0.2 -5,-0.1 3,-0.1 -0.968 61.4-144.2-133.6 146.0 91.6 43.3 5.4 65 85 A R S S+ 0 0 246 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.736 94.0 48.1 -78.1 -23.8 92.1 47.0 6.0 66 86 A R S S+ 0 0 77 -32,-0.1 -30,-2.8 -6,-0.1 2,-0.4 -0.960 71.7 164.8-125.2 115.8 89.2 47.2 8.5 67 87 A V E -c 36 0A 3 -2,-0.5 25,-2.3 23,-0.3 26,-1.1 -0.986 21.6-168.8-137.3 130.6 89.0 44.6 11.3 68 88 A I E -cd 37 93A 4 -32,-2.9 -30,-2.6 -2,-0.4 2,-0.5 -0.990 19.5-148.2-115.2 133.5 87.1 44.3 14.6 69 89 A V E -cd 38 94A 1 24,-1.6 26,-2.8 -2,-0.4 2,-0.5 -0.892 6.3-141.3-109.1 127.1 88.2 41.5 16.9 70 90 A Q E + d 0 95A 2 -32,-2.8 26,-0.2 -2,-0.5 24,-0.0 -0.752 24.8 177.2 -79.3 122.1 85.8 39.6 19.2 71 91 A V + 0 0 2 24,-3.0 11,-0.2 -2,-0.5 25,-0.2 0.422 19.6 139.9-114.6 1.2 87.8 39.0 22.5 72 92 A A + 0 0 4 23,-0.3 2,-0.3 7,-0.1 4,-0.0 -0.106 18.2 165.3 -58.0 143.3 85.5 37.4 25.1 73 93 A S - 0 0 17 24,-0.1 6,-0.2 3,-0.0 261,-0.1 -0.982 45.9-127.3-147.9 149.9 86.9 34.6 27.3 74 94 A L S S+ 0 0 8 -2,-0.3 2,-0.5 259,-0.2 475,-0.3 0.447 109.1 65.4 -80.6 5.2 85.6 33.0 30.4 75 95 A N S >> S- 0 0 24 1,-0.1 3,-1.8 473,-0.1 4,-0.7 -0.948 82.7-157.9-113.4 105.7 89.0 33.8 31.8 76 96 A A H >> S+ 0 0 5 471,-2.9 4,-1.9 -2,-0.5 3,-0.5 0.770 85.4 65.9 -63.3 -28.3 88.7 37.6 31.7 77 97 A D H 3> S+ 0 0 99 470,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.834 98.5 56.4 -58.6 -32.9 92.5 38.2 31.7 78 98 A E H <> S+ 0 0 63 -3,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.834 102.8 52.8 -68.5 -33.4 92.5 36.5 28.3 79 99 A A H S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 4,-0.3 0.925 109.9 51.8 -57.5 -46.0 94.3 43.2 18.5 87 107 A E H ><5S+ 0 0 56 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.904 108.3 50.6 -57.8 -40.7 95.0 46.9 19.0 88 108 A S H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.2 56.8 -70.0 -27.7 98.8 46.3 18.3 89 109 A R T 3<5S- 0 0 111 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.418 125.0-102.0 -83.3 2.7 97.8 44.5 15.1 90 110 A G T < 5 + 0 0 54 -3,-1.4 -23,-0.3 -4,-0.3 -3,-0.2 0.674 59.6 166.0 89.6 16.5 95.9 47.5 13.9 91 111 A A < - 0 0 3 -5,-2.2 -1,-0.2 1,-0.1 -23,-0.2 -0.404 35.6-140.7 -58.8 141.0 92.3 46.4 14.6 92 112 A E S S- 0 0 53 -25,-2.3 2,-0.3 1,-0.2 -24,-0.2 0.768 77.6 -9.4 -81.0 -19.8 90.0 49.4 14.4 93 113 A A E -d 68 0A 0 -26,-1.1 -24,-1.6 30,-0.2 2,-0.3 -0.977 61.4-132.4-160.2 163.4 88.0 48.2 17.4 94 114 A V E -de 69 125A 0 30,-2.2 32,-2.8 -2,-0.3 2,-0.3 -0.927 20.6-163.0-118.1 156.8 87.5 45.2 19.7 95 115 A A E -de 70 126A 0 -26,-2.8 -24,-3.0 -2,-0.3 2,-0.3 -0.927 2.0-163.6-129.9 157.4 84.2 43.7 20.7 96 116 A S E - e 0 127A 0 30,-1.9 32,-2.6 -2,-0.3 -26,-0.1 -0.980 19.0-133.9-143.5 136.3 83.0 41.4 23.5 97 117 A L - 0 0 1 -2,-0.3 32,-0.2 30,-0.2 -24,-0.1 -0.429 45.6-102.5 -55.3 152.5 80.1 39.2 24.3 98 118 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.440 61.8 -66.9 -66.5 159.1 79.0 39.7 27.9 99 119 A P S S- 0 0 3 0, 0.0 2,-0.1 0, 0.0 6,-0.1 -0.288 71.5-165.1 -47.0 128.3 80.2 36.9 30.2 100 120 A Y + 0 0 12 -3,-0.1 2,-2.5 35,-0.1 35,-0.1 -0.432 49.9 34.8-115.4-174.7 78.2 33.9 28.9 101 121 A Y S S+ 0 0 11 33,-0.6 321,-0.1 32,-0.3 287,-0.0 -0.361 90.2 92.7 65.9 -64.5 77.3 30.3 30.1 102 122 A F S > S- 0 0 5 -2,-2.5 3,-0.6 1,-0.1 2,-0.2 -0.409 72.1-138.1 -67.9 122.5 77.0 31.1 33.9 103 123 A P T 3 S+ 0 0 36 0, 0.0 424,-0.3 0, 0.0 423,-0.1 -0.511 76.6 12.3 -76.4 145.2 73.5 32.0 34.9 104 124 A R T 3 + 0 0 120 -2,-0.2 422,-0.6 1,-0.1 423,-0.3 0.822 69.6 167.7 61.2 39.4 72.9 34.8 37.3 105 125 A L < - 0 0 17 -3,-0.6 2,-0.1 420,-0.1 -1,-0.1 -0.437 44.9-100.9 -62.4 158.2 76.3 36.6 37.4 106 126 A S > - 0 0 18 418,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.461 17.0-115.9 -84.7 158.7 75.7 40.0 39.1 107 127 A E H > S+ 0 0 176 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 118.5 57.0 -55.7 -38.6 75.3 43.3 37.5 108 128 A R H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 106.2 49.3 -61.0 -41.7 78.6 44.3 39.3 109 129 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.926 111.8 47.2 -63.9 -45.5 80.4 41.4 37.7 110 130 A I H X S+ 0 0 18 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 113.8 48.6 -60.2 -44.3 79.2 42.2 34.1 111 131 A A H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.904 109.3 51.1 -65.4 -44.1 80.1 45.9 34.6 112 132 A K H X S+ 0 0 80 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.919 107.5 55.4 -59.5 -45.7 83.6 45.2 35.9 113 133 A Y H X S+ 0 0 4 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.939 113.5 38.9 -49.3 -56.9 84.2 42.9 32.9 114 134 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 115.2 52.4 -66.6 -39.9 83.4 45.6 30.4 115 135 A R H X S+ 0 0 120 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.922 108.1 51.6 -65.7 -38.8 85.0 48.5 32.3 116 136 A D H X S+ 0 0 48 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.882 109.5 50.9 -60.1 -39.3 88.3 46.5 32.6 117 137 A L H >X S+ 0 0 2 -4,-1.6 3,-0.7 -5,-0.3 4,-0.7 0.940 108.9 50.1 -63.2 -47.3 88.2 45.9 28.8 118 138 A a H >< S+ 0 0 26 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.863 109.5 52.1 -58.6 -35.9 87.7 49.6 28.1 119 139 A S H 3< S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.732 101.5 63.6 -71.4 -24.2 90.6 50.5 30.4 120 140 A A H << S+ 0 0 22 -4,-1.0 2,-0.3 -3,-0.7 -1,-0.2 0.670 108.3 27.7 -74.7 -23.8 92.9 48.0 28.6 121 141 A V << - 0 0 15 -4,-0.7 4,-0.1 -3,-0.6 -37,-0.1 -0.907 55.7-142.6-139.3 166.4 92.9 49.8 25.2 122 142 A S S S+ 0 0 103 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.701 78.9 87.3 -99.1 -30.7 92.5 53.1 23.4 123 143 A I S S- 0 0 34 1,-0.1 -30,-0.2 -32,-0.1 -2,-0.1 -0.289 97.4 -77.3 -67.2 159.0 90.6 51.9 20.4 124 144 A P - 0 0 27 0, 0.0 -30,-2.2 0, 0.0 2,-0.5 -0.273 40.0-142.3 -59.1 139.2 86.7 51.7 20.7 125 145 A V E -ef 94 149A 4 23,-0.5 25,-2.4 -32,-0.2 26,-0.6 -0.940 16.5-155.8-103.1 126.9 85.2 48.8 22.6 126 146 A F E -ef 95 151A 5 -32,-2.8 -30,-1.9 -2,-0.5 2,-0.5 -0.816 14.4-129.8-100.5 140.4 81.9 47.4 21.2 127 147 A L E -ef 96 152A 0 24,-2.8 26,-2.9 -2,-0.4 2,-0.7 -0.769 17.7-159.1 -79.6 128.8 79.3 45.5 23.0 128 148 A Y E - f 0 153A 2 -32,-2.6 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S+ 0 0 1 -4,-1.3 4,-0.7 -5,-0.2 3,-0.5 0.912 108.7 49.5 -67.3 -45.3 38.0 38.8 46.4 692 138 B c H >< S+ 0 0 24 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.886 110.2 51.8 -62.1 -41.3 39.1 38.2 50.0 693 139 B S H 3< S+ 0 0 102 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.725 101.9 62.9 -63.4 -25.7 36.7 41.0 51.2 694 140 B A H 3< S+ 0 0 13 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.723 109.3 29.4 -79.4 -22.7 33.8 39.6 49.4 695 141 B V << - 0 0 11 -4,-0.7 -37,-0.1 -3,-0.7 4,-0.1 -0.879 57.0-146.0-133.7 164.7 33.6 36.3 51.2 696 142 B S S S+ 0 0 105 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.621 78.2 88.5-104.2 -19.8 34.4 34.9 54.7 697 143 B I S S- 0 0 32 1,-0.1 -30,-0.2 -32,-0.0 -2,-0.1 -0.309 96.6 -76.2 -69.5 160.9 35.4 31.5 53.4 698 144 B P - 0 0 28 0, 0.0 -30,-2.1 0, 0.0 2,-0.5 -0.261 40.1-145.5 -59.9 143.1 39.0 30.8 52.4 699 145 B V E -z 668 0F 4 23,-0.5 25,-2.2 -32,-0.2 26,-0.7 -0.970 14.3-155.1-111.8 124.5 40.3 32.2 49.1 700 146 B F E -za 669 725F 7 -32,-3.0 -30,-2.0 -2,-0.5 2,-0.5 -0.799 14.8-128.9 -95.2 140.6 42.9 30.1 47.3 701 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53.4 23.9 37.9 731 177 B E S S+ 0 0 67 -2,-0.3 2,-1.0 1,-0.1 -285,-0.5 0.615 87.0 88.7 -77.3 -14.6 56.3 21.5 36.9 732 178 B S B > -U 445 0E 22 1,-0.2 4,-1.6 -287,-0.2 -287,-0.2 -0.743 53.5-177.4 -88.4 100.8 58.5 23.1 39.5 733 179 B L H > S+ 0 0 0 -2,-1.0 4,-3.0 -289,-0.7 5,-0.2 0.846 85.9 59.2 -62.3 -33.5 57.9 21.3 42.8 734 180 B A H > S+ 0 0 14 -290,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.895 102.0 53.5 -60.9 -41.1 60.3 23.7 44.4 735 181 B H H > S+ 0 0 35 -291,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.921 112.2 44.0 -59.6 -44.4 58.0 26.6 43.4 736 182 B T H >X S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 4,-0.8 0.918 110.0 54.6 -69.8 -42.9 55.0 24.8 45.0 737 183 B L H >X S+ 0 0 4 -4,-3.0 4,-1.5 1,-0.2 3,-1.2 0.883 97.1 67.6 -58.7 -35.8 57.0 23.9 48.2 738 184 B A H 3X S+ 0 0 19 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.815 91.8 60.5 -56.7 -29.9 57.9 27.6 48.6 739 185 B Y H < + 0 0 23 -4,-2.2 3,-1.7 -5,-0.3 -1,-0.2 -0.591 65.8 171.9-131.5 70.6 52.6 30.4 54.1 744 190 B P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.720 80.1 46.1 -55.1 -28.8 52.8 27.8 56.9 745 191 B Q T 3 S+ 0 0 179 2,-0.1 2,-0.2 -20,-0.0 -5,-0.1 0.531 92.0 100.4 -96.4 -4.5 49.1 27.7 57.6 746 192 B A S < S- 0 0 8 -3,-1.7 2,-0.7 -7,-0.2 -21,-0.3 -0.490 77.1-119.6 -75.6 147.7 47.8 27.5 54.0 747 193 B R E -b 725 0F 59 -23,-1.6 -21,-2.5 -2,-0.2 2,-0.5 -0.812 36.3-161.8 -82.0 117.7 46.7 24.3 52.4 748 194 B V E +b 726 0F 0 -2,-0.7 17,-1.9 -23,-0.2 18,-0.8 -0.914 11.7 179.9-114.1 129.2 49.1 23.9 49.4 749 195 B Y E -bc 727 766F 3 -23,-2.3 -21,-2.8 -2,-0.5 2,-0.4 -0.950 21.1-139.0-126.1 141.7 48.4 21.6 46.4 750 196 B N E -bc 728 767F 0 16,-1.4 18,-2.2 -2,-0.4 -21,-0.2 -0.888 8.5-162.0 -98.8 140.2 50.4 20.8 43.3 751 197 B G + 0 0 6 -23,-3.0 19,-0.5 -2,-0.4 2,-0.5 0.283 52.1 108.5-104.8 11.8 48.4 20.5 40.1 752 198 B S > - 0 0 8 -24,-0.4 3,-1.5 -22,-0.3 17,-0.1 -0.753 58.1-149.4 -92.9 130.1 50.8 18.6 37.8 753 199 B D G > S+ 0 0 10 -2,-0.5 3,-1.1 1,-0.3 4,-0.3 0.820 99.3 61.5 -62.8 -29.3 49.9 15.0 36.9 754 200 B S G 3 S+ 0 0 16 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.596 104.2 50.0 -72.7 -10.8 53.7 14.3 36.7 755 201 B L G <> S+ 0 0 0 -3,-1.5 4,-2.6 2,-0.1 -1,-0.2 0.138 72.3 106.0-116.1 21.1 54.1 15.2 40.3 756 202 B V H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 5,-0.2 0.982 87.7 42.7 -64.2 -54.5 51.4 13.2 42.1 757 203 B F H > S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 3,-0.2 0.957 117.1 47.9 -52.4 -53.0 53.9 10.7 43.6 758 204 B A H > S+ 0 0 1 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.851 107.6 55.3 -57.8 -42.3 56.4 13.6 44.5 759 205 B S H <>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 4,-0.2 0.883 111.3 43.6 -59.2 -44.4 53.7 15.7 46.1 760 206 B F H ><5S+ 0 0 1 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.891 111.7 55.4 -69.5 -37.6 52.7 12.9 48.5 761 207 B A H 3<5S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.0 40.3 -62.2 -40.8 56.3 12.1 49.2 762 208 B V T 3<5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.432 115.0-120.1 -88.3 4.1 57.1 15.7 50.2 763 209 B R T < 5 + 0 0 103 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.896 45.7 170.5 55.6 48.7 53.8 15.9 52.1 764 210 B L < - 0 0 1 -5,-2.5 -15,-0.2 -6,-0.1 3,-0.1 -0.286 54.6 -98.0 -60.0 171.3 52.1 18.8 50.4 765 211 B D S S- 0 0 45 -17,-1.9 -189,-2.4 1,-0.2 2,-0.3 0.698 83.3 -61.6 -72.1 -17.1 48.5 19.0 51.5 766 212 B G E -vc 576 749F 0 -18,-0.8 -16,-1.4 -191,-0.3 2,-0.3 -0.986 54.4 -80.2 164.1-168.8 47.4 17.1 48.4 767 213 B V E -vc 577 750F 1 -191,-2.3 -189,-2.7 -2,-0.3 -16,-0.2 -0.945 12.3-164.4-125.1 145.0 47.2 17.1 44.6 768 214 B V + 0 0 3 -18,-2.2 2,-0.4 -2,-0.3 -189,-0.1 -0.600 36.0 162.5-122.8 70.1 44.8 18.8 42.2 769 215 B A > - 0 0 0 -191,-0.4 3,-2.2 -2,-0.2 4,-0.2 -0.731 46.9-132.1 -99.4 136.4 45.6 16.7 39.2 770 216 B S G > S+ 0 0 5 -19,-0.5 3,-2.3 -2,-0.4 4,-0.3 0.814 101.7 71.0 -48.5 -38.5 43.5 16.4 36.0 771 217 B S G >> S+ 0 0 0 1,-0.3 4,-3.4 2,-0.2 3,-0.6 0.576 73.7 83.2 -62.0 -11.2 43.8 12.5 36.1 772 218 B A G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.736 86.3 61.8 -63.0 -19.6 41.5 12.4 39.1 773 219 B N G <4 S+ 0 0 0 -3,-2.3 -1,-0.2 -4,-0.2 -2,-0.2 0.869 121.7 15.0 -66.7 -40.8 38.8 12.6 36.4 774 220 B Y T <4 S+ 0 0 0 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.685 138.3 27.0-117.3 -21.8 39.7 9.3 34.7 775 221 B L >X + 0 0 3 -4,-3.4 4,-1.9 1,-0.1 3,-0.8 -0.292 61.0 145.1-138.1 53.5 42.0 7.4 37.1 776 222 B P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 77.4 58.0 -59.8 -32.4 41.2 8.5 40.7 777 223 B E H 3> S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.820 103.6 52.1 -66.9 -32.0 41.9 4.9 41.9 778 224 B L H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.933 109.0 49.9 -66.3 -46.6 45.5 5.2 40.4 779 225 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.926 112.0 47.7 -56.7 -45.1 46.0 8.5 42.4 780 226 B A H X S+ 0 0 16 -4,-2.5 4,-3.1 -175,-0.3 -1,-0.2 0.898 109.2 54.3 -62.0 -40.0 44.7 6.7 45.6 781 227 B G H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.867 109.2 47.7 -59.7 -39.2 47.0 3.8 44.8 782 228 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.937 112.2 49.5 -67.1 -44.4 50.0 6.2 44.6 783 229 B R H X S+ 0 0 51 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.924 113.2 46.6 -60.9 -46.1 48.9 7.8 47.9 784 230 B D H X S+ 0 0 104 -4,-3.1 4,-2.1 1,-0.2 6,-0.2 0.886 111.2 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