==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-MAR-13 4JJK . COMPND 2 MOLECULE: FORMATE--TETRAHYDROFOLATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR L.R.CELESTE,LOVELACE L.L.,L.LEBIODA . 1113 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 745 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 7.5 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 . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 0.1 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 . 44 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.1 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 4 6 4 4 2 2 2 3 4 2 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 4 3 7 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 PARALLEL BRIDGES PER LADDER . 6 5 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 7 0 3 0 0 0 0 0 0 0 2 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 3 A K 0 0 253 0, 0.0 410,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.6 5.1 -92.1 23.7 2 4 A V - 0 0 40 1,-0.1 3,-0.1 6,-0.0 111,-0.0 -0.245 360.0-128.8 -57.5 116.9 4.2 -88.5 22.5 3 5 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 110,-0.0 -0.156 39.5 -86.0 -52.8 162.4 4.3 -88.1 18.7 4 6 A S > - 0 0 71 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.198 43.3-102.8 -67.0 171.7 6.3 -85.1 17.5 5 7 A D H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.921 119.3 43.7 -68.0 -50.5 4.6 -81.7 17.2 6 8 A I H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 110.9 57.8 -61.4 -41.1 4.0 -81.5 13.5 7 9 A E H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.935 106.6 48.7 -50.1 -49.6 2.8 -85.2 13.5 8 10 A I H < S+ 0 0 10 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.871 107.4 55.3 -61.6 -38.6 0.1 -84.3 16.1 9 11 A A H >< S+ 0 0 7 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.800 106.1 51.3 -67.2 -29.7 -1.0 -81.3 14.0 10 12 A Q H 3< S+ 0 0 116 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.991 110.4 47.8 -65.9 -59.7 -1.6 -83.6 10.9 11 13 A A T 3< S+ 0 0 93 -4,-1.8 2,-0.3 2,-0.1 -1,-0.2 0.244 83.5 118.1 -71.1 12.1 -3.8 -86.1 12.8 12 14 A A < - 0 0 23 -3,-0.5 2,-0.7 -4,-0.1 250,-0.1 -0.618 62.6-139.1 -70.6 138.5 -6.0 -83.4 14.5 13 15 A K - 0 0 81 248,-0.3 2,-0.4 -2,-0.3 250,-0.1 -0.935 26.9-159.6 -95.8 112.2 -9.6 -83.8 13.4 14 16 A M - 0 0 46 -2,-0.7 247,-0.1 248,-0.1 248,-0.1 -0.822 10.0-133.5 -99.4 135.7 -10.6 -80.1 13.0 15 17 A K - 0 0 93 -2,-0.4 2,-0.2 1,-0.1 5,-0.1 -0.534 37.4 -94.3 -76.1 145.9 -14.1 -78.8 13.0 16 18 A P >> - 0 0 45 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.439 33.6-136.3 -56.3 125.5 -15.3 -76.4 10.2 17 19 A V H 3> S+ 0 0 0 19,-2.2 4,-2.5 1,-0.3 5,-0.2 0.828 100.5 69.0 -64.0 -30.0 -14.7 -73.0 11.8 18 20 A M H 3> S+ 0 0 51 18,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.855 100.8 49.7 -48.5 -42.3 -18.1 -71.8 10.4 19 21 A E H <> S+ 0 0 109 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.906 108.3 50.4 -61.6 -48.1 -19.6 -74.2 13.0 20 22 A L H X S+ 0 0 22 -4,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.873 111.0 52.1 -59.6 -37.6 -17.6 -73.0 15.9 21 23 A A H X>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.920 108.3 46.3 -69.1 -48.6 -18.6 -69.5 14.9 22 24 A R H ><5S+ 0 0 150 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.910 109.9 59.7 -60.6 -32.1 -22.4 -70.1 14.9 23 25 A G H 3<5S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.859 104.9 46.7 -60.5 -36.4 -21.7 -71.9 18.2 24 26 A L H 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.571 128.5 -99.5 -81.8 -10.7 -20.4 -68.7 19.7 25 27 A G T <<5S+ 0 0 44 -3,-1.0 2,-0.4 -4,-0.8 -3,-0.2 0.663 74.8 143.2 99.4 21.7 -23.4 -66.8 18.3 26 28 A I < - 0 0 1 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.787 46.0-127.0 -94.0 135.3 -21.7 -65.3 15.2 27 29 A Q > - 0 0 71 -2,-0.4 3,-1.2 1,-0.1 18,-0.0 -0.360 18.7-114.6 -76.0 158.3 -23.8 -65.0 12.1 28 30 A E G > S+ 0 0 79 1,-0.2 3,-2.0 2,-0.2 -1,-0.1 0.871 114.2 60.0 -59.2 -39.1 -22.8 -66.4 8.6 29 31 A D G 3 S+ 0 0 125 1,-0.3 -1,-0.2 3,-0.1 3,-0.0 0.493 99.9 55.2 -76.4 0.3 -22.6 -62.9 7.2 30 32 A E G < S+ 0 0 13 -3,-1.2 12,-2.1 12,-0.1 2,-0.6 0.272 95.7 88.8-104.0 8.5 -19.9 -61.9 9.8 31 33 A V E < -A 41 0A 18 -3,-2.0 2,-0.7 10,-0.2 10,-0.2 -0.915 49.8-178.4-116.1 113.1 -17.8 -64.8 8.6 32 34 A E E -A 40 0A 30 8,-1.9 8,-1.3 -2,-0.6 -3,-0.1 -0.889 25.6-146.0-104.3 101.3 -15.2 -64.7 5.7 33 35 A L E -A 39 0A 35 -2,-0.7 558,-2.6 6,-0.2 2,-0.3 -0.299 18.3-164.7 -61.0 144.3 -13.8 -68.1 5.3 34 36 A Y B S-L 590 0B 38 4,-2.7 3,-0.3 1,-0.5 556,-0.2 -0.834 81.4 -40.8-124.4 86.0 -10.1 -68.8 4.3 35 37 A G S S- 0 0 5 554,-2.4 -1,-0.5 -2,-0.3 3,-0.3 -0.403 94.9 -68.6 71.2-166.0 -10.6 -72.5 3.4 36 38 A K S S+ 0 0 118 1,-0.2 -19,-2.2 -3,-0.1 -18,-0.5 0.652 129.7 54.3 -96.1 -14.7 -12.9 -74.2 5.9 37 39 A Y S S+ 0 0 83 -3,-0.3 2,-0.3 -21,-0.2 222,-0.2 0.223 105.5 52.4-107.2 13.0 -10.6 -74.2 9.0 38 40 A K + 0 0 12 -3,-0.3 -4,-2.7 -4,-0.1 2,-0.3 -0.990 60.2 172.1-143.2 143.2 -9.9 -70.5 9.1 39 41 A A E -AB 33 257A 0 218,-1.4 218,-2.2 -2,-0.3 2,-0.5 -0.953 27.3-132.9-144.9 165.0 -12.2 -67.5 9.2 40 42 A K E -AB 32 256A 3 -8,-1.3 -8,-1.9 -2,-0.3 2,-0.4 -0.983 26.2-144.0-121.3 122.8 -12.1 -63.7 9.7 41 43 A I E -A 31 0A 0 214,-2.5 -10,-0.2 -2,-0.5 -11,-0.0 -0.697 17.3-114.8 -98.2 135.1 -14.7 -62.3 12.0 42 44 A S > - 0 0 22 -12,-2.1 3,-0.9 -2,-0.4 4,-0.5 -0.149 11.6-131.2 -60.2 153.1 -16.4 -59.0 11.5 43 45 A L T 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.617 102.7 78.6 -72.6 -10.6 -16.0 -56.0 13.9 44 46 A D H 3> S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.722 81.0 65.0 -69.7 -23.3 -19.8 -55.8 13.7 45 47 A V H <> S+ 0 0 0 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.927 105.5 43.3 -60.7 -49.4 -20.0 -58.7 16.2 46 48 A Y H > S+ 0 0 44 -4,-0.5 4,-0.8 1,-0.2 3,-0.3 0.934 112.2 54.5 -59.2 -45.5 -18.3 -56.6 18.8 47 49 A R H < S+ 0 0 119 -4,-1.7 3,-0.3 1,-0.3 -2,-0.2 0.841 109.9 44.9 -64.9 -35.5 -20.5 -53.6 17.9 48 50 A R H < S+ 0 0 99 -4,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.746 120.1 41.2 -80.9 -21.1 -23.8 -55.5 18.3 49 51 A L H >< S+ 0 0 29 -4,-1.4 3,-2.0 -3,-0.3 -2,-0.2 0.348 78.4 116.1-104.4 7.6 -22.6 -57.0 21.6 50 52 A K T 3< S+ 0 0 137 -4,-0.8 -1,-0.1 -3,-0.3 -2,-0.1 0.791 78.4 48.6 -40.1 -41.8 -20.9 -53.8 22.9 51 53 A D T 3 S+ 0 0 157 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.627 88.6 99.7 -84.9 -16.1 -23.4 -53.7 25.8 52 54 A K S < S- 0 0 117 -3,-2.0 2,-0.1 1,-0.1 -3,-0.0 -0.283 82.8-103.0 -57.3 155.6 -23.1 -57.3 26.9 53 55 A P - 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.476 37.9-102.3 -80.5 158.9 -20.8 -57.9 29.9 54 56 A D - 0 0 82 -2,-0.1 237,-0.2 1,-0.1 3,-0.1 -0.495 26.9-123.4 -79.1 146.7 -17.3 -59.2 29.5 55 57 A G - 0 0 13 235,-2.0 2,-0.3 238,-0.3 240,-0.3 0.045 51.6 -71.9 -61.2-173.1 -16.3 -62.8 30.2 56 58 A K E -c 295 0A 83 238,-3.3 240,-2.4 268,-0.0 2,-0.5 -0.704 47.2-137.5 -81.3 145.2 -13.5 -63.3 32.7 57 59 A L E -c 296 0A 4 265,-0.3 267,-3.8 -2,-0.3 268,-1.4 -0.934 19.8-176.0-110.1 121.0 -10.0 -62.4 31.6 58 60 A I E -cd 297 325A 0 238,-2.8 240,-2.2 -2,-0.5 2,-0.5 -0.968 10.6-155.3-120.2 113.7 -7.1 -64.7 32.4 59 61 A L E -cd 298 326A 0 266,-2.1 268,-2.8 -2,-0.5 2,-0.5 -0.787 4.5-152.1 -88.3 129.3 -3.6 -63.6 31.5 60 62 A V E +cd 299 327A 0 238,-3.7 240,-1.1 -2,-0.5 2,-0.2 -0.900 28.4 154.3 -98.9 127.4 -1.0 -66.2 31.0 61 63 A T E - d 0 328A 0 266,-3.1 268,-1.9 -2,-0.5 2,-0.3 -0.626 24.5-137.9-131.7-165.7 2.6 -65.2 31.6 62 64 A A E - d 0 329A 1 266,-0.3 242,-1.2 -2,-0.2 268,-0.2 -0.993 20.7 -99.1-155.6 154.7 5.9 -66.8 32.6 63 65 A I S S- 0 0 0 266,-1.9 266,-0.1 -2,-0.3 298,-0.1 -0.129 74.4 -50.6 -64.3 173.9 9.0 -66.4 34.8 64 66 A T - 0 0 0 239,-0.1 -1,-0.2 1,-0.1 428,-0.1 -0.268 69.1-112.9 -55.5 117.7 12.2 -65.1 33.3 65 67 A P + 0 0 14 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.012 42.2 172.9 -49.7 159.4 13.1 -67.0 30.1 66 68 A T > - 0 0 13 1,-0.1 3,-1.6 435,-0.0 4,-0.1 -0.979 51.0 -94.7-157.5 160.2 16.2 -69.2 29.8 67 69 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 267,-0.1 0.915 119.0 67.6 -40.6 -48.9 18.1 -71.7 27.7 68 70 A A T 3 S- 0 0 16 265,-0.1 266,-0.1 266,-0.1 265,-0.1 0.651 103.5-135.7 -53.0 -21.7 16.1 -74.4 29.7 69 71 A G < - 0 0 33 -3,-1.6 265,-0.2 264,-0.1 264,-0.1 0.442 19.6-155.8 70.7 146.4 12.8 -73.3 28.0 70 72 A E - 0 0 35 -4,-0.1 310,-0.1 263,-0.1 -1,-0.1 0.588 23.2-134.3-130.9 -23.8 9.5 -72.8 29.9 71 73 A G > + 0 0 30 3,-0.1 4,-0.5 258,-0.0 259,-0.1 0.992 29.1 173.6 62.4 84.2 6.6 -73.2 27.4 72 74 A K H > S+ 0 0 32 2,-0.2 4,-1.9 3,-0.1 3,-0.2 0.926 76.2 43.0 -85.9 -49.5 4.1 -70.4 27.9 73 75 A T H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.812 106.9 60.9 -69.2 -34.6 1.7 -70.9 24.9 74 76 A T H > S+ 0 0 16 37,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.931 108.9 45.9 -54.1 -41.8 1.6 -74.7 25.4 75 77 A T H X S+ 0 0 0 -4,-0.5 4,-1.7 -3,-0.2 -2,-0.2 0.922 110.8 52.4 -70.2 -44.5 0.2 -73.8 28.9 76 78 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.880 111.9 44.2 -54.4 -47.7 -2.3 -71.3 27.5 77 79 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.960 117.3 44.6 -67.6 -47.7 -3.8 -73.6 25.0 78 80 A G H X S+ 0 0 0 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.660 110.4 55.3 -74.9 -18.3 -4.1 -76.5 27.4 79 81 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.892 109.3 48.3 -69.0 -42.8 -5.4 -74.3 30.0 80 82 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.900 112.2 48.6 -62.4 -45.3 -8.2 -73.3 27.5 81 83 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.865 108.4 52.5 -63.2 -42.3 -8.9 -76.9 26.7 82 84 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.952 108.6 52.2 -60.5 -44.6 -9.1 -77.9 30.3 83 85 A L H <>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 -2,-0.2 0.869 109.2 49.4 -56.6 -40.6 -11.6 -75.1 30.8 84 86 A A H ><5S+ 0 0 36 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.887 105.4 56.4 -65.3 -43.8 -13.7 -76.4 27.9 85 87 A R H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 102.1 57.9 -57.8 -32.1 -13.6 -80.0 29.4 86 88 A L T 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.260 125.6-104.6 -82.3 13.1 -15.1 -78.5 32.6 87 89 A G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.495 72.4 146.3 83.7 3.7 -18.1 -77.2 30.5 88 90 A K < - 0 0 66 -5,-2.0 2,-0.8 -6,-0.2 -1,-0.3 -0.448 53.4-124.4 -80.6 149.6 -16.9 -73.6 30.5 89 91 A R + 0 0 106 -2,-0.1 205,-2.1 2,-0.0 206,-1.3 -0.861 54.3 150.1-100.2 107.3 -17.6 -71.4 27.5 90 92 A V E -e 295 0A 6 -2,-0.8 2,-0.3 203,-0.2 206,-0.2 -0.941 33.0-168.2-146.3 149.5 -14.1 -70.1 26.7 91 93 A M E -e 296 0A 0 204,-1.7 206,-2.1 -2,-0.3 2,-0.4 -0.951 16.6-140.0-133.1 160.4 -11.8 -68.9 23.9 92 94 A V E -ef 297 266A 0 173,-1.2 175,-2.1 -2,-0.3 2,-0.4 -0.955 10.9-155.3-116.3 142.3 -8.0 -68.3 23.8 93 95 A C E +ef 298 267A 0 204,-2.5 206,-0.8 -2,-0.4 2,-0.3 -0.972 22.1 167.8-119.6 135.7 -6.4 -65.4 22.0 94 96 A L E - f 0 268A 4 173,-2.4 175,-1.6 -2,-0.4 188,-0.2 -0.903 33.2 -96.3-146.2 163.7 -2.9 -65.6 20.7 95 97 A R - 0 0 60 -2,-0.3 176,-0.3 173,-0.2 175,-0.1 -0.513 33.9-116.3 -89.5 149.1 -0.3 -63.9 18.5 96 98 A E - 0 0 9 174,-4.0 2,-0.1 -2,-0.2 28,-0.1 -0.681 35.5-119.3 -80.0 134.4 0.5 -64.8 14.9 97 99 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 173,-0.1 -0.456 25.9-107.0 -70.3 147.7 4.1 -66.0 14.5 98 100 A S - 0 0 17 1,-0.1 4,-0.5 -2,-0.1 72,-0.0 -0.533 23.0-134.9 -70.4 141.3 6.6 -64.1 12.2 99 101 A L S > S+ 0 0 1 -2,-0.2 3,-1.5 1,-0.2 4,-0.4 0.909 92.6 73.3 -65.9 -44.6 7.2 -66.1 9.0 100 102 A G G >> S+ 0 0 2 69,-1.0 3,-2.6 1,-0.3 4,-0.6 0.806 87.1 56.9 -39.6 -59.0 10.9 -65.5 9.1 101 103 A P G >4 S+ 0 0 42 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.829 91.1 74.1 -49.0 -35.3 11.9 -67.9 12.0 102 104 A S G <4 S+ 0 0 1 -3,-1.5 -2,-0.2 -4,-0.5 -3,-0.1 0.799 105.2 38.0 -46.1 -28.7 10.2 -70.8 10.1 103 105 A F G <4 S+ 0 0 1 -3,-2.6 439,-1.9 -4,-0.4 -1,-0.2 0.556 121.0 41.5-105.8 -9.6 13.3 -70.7 7.7 104 106 A G S << S- 0 0 3 -3,-1.1 437,-2.2 -4,-0.6 -2,-0.1 0.840 132.4 -28.4 -98.2 -79.5 16.1 -69.9 10.2 105 107 A I S S+ 0 0 128 -4,-0.4 -3,-0.1 435,-0.2 431,-0.0 0.827 112.1 22.3-108.6 -56.8 15.9 -71.9 13.5 106 108 A K + 0 0 44 -5,-0.2 -4,-0.1 2,-0.0 2,-0.1 0.595 23.3 164.1 -65.7-140.1 12.2 -72.6 14.2 107 109 A G + 0 0 10 1,-0.1 2,-0.3 -4,-0.0 -8,-0.0 0.785 33.7 159.4 -85.3 176.9 9.3 -73.0 13.3 108 110 A G - 0 0 39 -2,-0.1 -1,-0.1 12,-0.1 4,-0.1 -0.927 41.3 -67.4-149.9 170.6 7.2 -74.8 16.0 109 111 A A - 0 0 14 -2,-0.3 2,-1.5 1,-0.1 9,-0.1 -0.098 45.8-106.6 -63.5 155.3 3.6 -75.3 17.0 110 112 A A E S-G 117 0A 16 7,-0.6 7,-2.0 -37,-0.1 2,-0.4 -0.741 110.6 -13.3 -75.9 92.6 1.3 -72.6 18.4 111 113 A G E S-G 116 0A 14 -2,-1.5 -37,-0.3 5,-0.2 2,-0.3 -0.901 102.6-106.2 100.4-138.2 1.7 -74.2 21.7 112 114 A G E > +G 115 0A 2 3,-3.2 3,-2.7 -2,-0.4 -2,-0.0 -0.960 64.2 0.4 177.2 163.6 3.2 -77.7 21.6 113 115 A G T 3 S- 0 0 0 -2,-0.3 298,-0.2 1,-0.3 297,-0.1 -0.192 129.8 -11.4 42.5-119.5 2.6 -81.4 21.9 114 116 A Y T 3 S+ 0 0 80 296,-2.3 2,-0.6 295,-0.3 -1,-0.3 0.340 127.1 75.2 -91.6 6.8 -1.1 -82.1 22.6 115 117 A A E < +G 112 0A 0 -3,-2.7 -3,-3.2 298,-0.1 2,-0.3 -0.883 68.8 130.4-121.5 91.4 -1.8 -78.4 23.3 116 118 A Q E -G 111 0A 0 -2,-0.6 145,-2.3 -5,-0.3 2,-0.3 -0.981 51.9-132.8-140.4 153.6 -1.9 -76.6 20.0 117 119 A V E -GH 110 260A 0 -7,-2.0 -7,-0.6 -2,-0.3 143,-0.3 -0.800 50.6 -96.4 -97.6 150.7 -3.9 -74.3 17.9 118 120 A V E S+ H 0 259A 1 141,-3.1 141,-1.5 -2,-0.3 2,-0.1 -0.917 87.7 37.7-147.0 163.7 -4.3 -75.3 14.3 119 121 A P > - 0 0 8 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.322 67.6-170.2 -65.5 129.1 -3.9 -75.5 11.2 120 122 A M H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.869 76.1 50.8 -62.6 -44.0 -0.2 -75.3 12.3 121 123 A E H 4 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.724 109.7 47.8 -74.8 -30.0 1.3 -74.9 8.8 122 124 A D H >4>S+ 0 0 40 -3,-0.3 5,-2.1 2,-0.2 3,-1.0 0.898 109.9 54.2 -77.6 -41.2 -0.9 -72.1 7.7 123 125 A I H 3<5S+ 0 0 0 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.765 109.1 48.5 -60.4 -30.3 -0.3 -70.2 11.0 124 126 A N T 3<5S+ 0 0 6 -4,-1.2 -1,-0.2 -28,-0.1 -22,-0.2 0.559 120.5 34.8 -88.4 -11.0 3.5 -70.4 10.6 125 127 A L T < 5S- 0 0 13 -3,-1.0 -3,-0.1 -4,-0.3 -26,-0.1 0.341 131.0 -33.2-113.2-119.3 3.4 -69.2 7.0 126 128 A H T > 5S+ 0 0 25 1,-0.2 3,-2.7 2,-0.1 5,-0.3 0.627 70.8 176.1 -84.9 -13.9 1.1 -66.6 5.3 127 129 A F T 3 S+ 0 0 23 -3,-2.7 4,-2.9 555,-0.0 5,-0.2 0.432 80.7 134.1 93.6 4.7 -2.4 -62.3 5.1 130 132 A D H > S+ 0 0 2 1,-0.2 4,-2.2 -4,-0.2 5,-0.1 0.855 75.1 47.3 -54.0 -39.9 -2.2 -60.1 8.2 131 133 A I H > S+ 0 0 6 -5,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.886 110.4 49.8 -79.8 -33.2 1.6 -59.7 8.0 132 134 A H H > S+ 0 0 7 -6,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 109.0 54.8 -64.5 -41.1 1.7 -58.9 4.3 133 135 A A H X S+ 0 0 4 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.968 113.4 41.4 -49.6 -53.6 -1.0 -56.4 5.0 134 136 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.4 0.949 112.0 54.7 -61.2 -49.3 1.3 -54.9 7.6 135 137 A T H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 32,-0.2 0.893 114.0 41.2 -49.3 -46.7 4.5 -55.2 5.4 136 138 A Y H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.700 112.5 52.4 -81.8 -22.5 2.8 -53.3 2.5 137 139 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 -3,-0.4 -2,-0.2 0.906 113.8 45.4 -73.3 -47.3 1.2 -50.6 4.7 138 140 A H H X S+ 0 0 6 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.925 115.3 45.6 -56.6 -49.6 4.5 -49.9 6.3 139 141 A N H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.793 104.3 61.5 -75.1 -29.0 6.5 -49.9 3.0 140 142 A L H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.928 106.5 47.3 -59.9 -46.9 4.0 -47.7 1.2 141 143 A L H X S+ 0 0 0 -4,-1.4 4,-3.4 2,-0.2 5,-0.2 0.920 110.7 50.8 -57.1 -49.9 4.6 -44.9 3.7 142 144 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.953 113.1 47.0 -49.9 -49.1 8.4 -45.4 3.4 143 145 A A H X S+ 0 0 3 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.772 111.7 50.8 -71.2 -27.0 7.8 -45.1 -0.4 144 146 A M H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.866 109.5 50.1 -71.4 -40.9 5.6 -42.0 0.1 145 147 A V H X S+ 0 0 1 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.981 113.8 46.4 -57.5 -53.7 8.3 -40.4 2.3 146 148 A D H X S+ 0 0 4 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.858 112.2 49.1 -62.2 -38.3 10.9 -41.2 -0.4 147 149 A N H X S+ 0 0 10 -4,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.841 104.5 61.6 -67.4 -34.2 8.7 -39.9 -3.3 148 150 A H H <>S+ 0 0 36 -4,-2.2 5,-1.6 2,-0.2 3,-0.4 0.935 105.3 44.7 -55.3 -48.6 8.0 -36.8 -1.3 149 151 A L H >X5S+ 0 0 7 -4,-1.5 3,-1.7 1,-0.2 4,-0.8 0.980 109.6 58.0 -60.5 -51.4 11.7 -35.8 -1.3 150 152 A Q H 3<5S+ 0 0 49 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.728 100.9 56.7 -52.5 -30.9 11.9 -36.7 -5.0 151 153 A Q T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -3,-0.4 3,-0.2 0.020 136.8 -70.5 -93.6 27.8 9.2 -34.2 -5.9 152 154 A G T <45 - 0 0 62 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.2 0.505 61.6-107.0 99.1 3.7 10.8 -31.1 -4.5 153 155 A N ><< + 0 0 29 -5,-1.6 3,-1.7 -4,-0.8 -4,-0.2 0.825 45.5 178.1 48.3 53.0 10.5 -31.8 -0.8 154 156 A V T 3 S+ 0 0 122 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.762 78.2 56.9 -54.2 -35.7 7.7 -29.3 0.1 155 157 A L T 3 S- 0 0 52 -7,-0.1 -1,-0.3 73,-0.0 -2,-0.1 0.570 108.0-130.6 -79.2 -9.2 7.5 -30.4 3.8 156 158 A N < - 0 0 72 -3,-1.7 73,-1.5 1,-0.1 74,-0.2 0.909 38.7-178.8 60.8 47.4 11.2 -29.5 3.9 157 159 A I B -M 228 0C 0 71,-0.2 71,-0.3 72,-0.1 -1,-0.1 -0.392 30.4-129.5 -67.5 149.7 12.2 -32.7 5.5 158 160 A D > - 0 0 16 69,-2.7 3,-2.6 1,-0.1 69,-0.5 -0.938 16.7-151.5 -97.3 109.4 15.8 -33.5 6.4 159 161 A P T 3 S+ 0 0 15 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.622 92.5 61.1 -57.8 -13.7 16.4 -37.0 4.9 160 162 A R T 3 S+ 0 0 202 1,-0.2 31,-0.0 31,-0.1 -3,-0.0 0.512 98.0 57.2 -92.6 -8.9 19.0 -37.8 7.5 161 163 A T S < S+ 0 0 47 -3,-2.6 2,-0.3 66,-0.2 -1,-0.2 0.368 76.4 128.1 -97.3 1.0 16.5 -37.4 10.3 162 164 A I + 0 0 21 -3,-0.5 64,-0.3 -4,-0.3 63,-0.1 -0.415 28.2 173.1 -68.4 119.4 14.1 -40.0 8.9 163 165 A T + 0 0 81 62,-3.0 2,-0.8 -2,-0.3 63,-0.2 0.666 49.0 101.0 -99.5 -20.1 13.2 -42.6 11.5 164 166 A W - 0 0 10 61,-1.8 61,-0.1 -23,-0.1 2,-0.1 -0.571 56.9-174.5 -72.3 110.8 10.6 -44.5 9.5 165 167 A R - 0 0 63 -2,-0.8 2,-0.2 1,-0.1 30,-0.2 -0.186 23.7-102.6 -94.5-178.0 12.5 -47.6 8.3 166 168 A R E -n 195 0D 2 28,-2.3 30,-2.5 -24,-0.1 2,-0.3 -0.591 31.7-146.0 -97.0 169.7 11.4 -50.3 5.9 167 169 A V E +n 196 0D 0 28,-0.3 2,-0.3 -32,-0.2 30,-0.2 -0.990 19.7 172.7-136.7 149.3 10.2 -53.8 6.9 168 170 A I E -n 197 0D 4 28,-1.7 30,-0.7 -2,-0.3 2,-0.7 -0.958 35.0-126.4-146.0 145.2 10.4 -57.4 5.5 169 171 A D S S+ 0 0 1 -2,-0.3 -69,-1.0 28,-0.3 2,-0.3 -0.137 78.4 88.9 -92.4 45.3 9.3 -60.6 7.3 170 172 A L S S- 0 0 4 -2,-0.7 2,-1.4 -71,-0.1 -2,-0.2 -0.942 85.7-108.0-133.1 154.7 12.5 -62.5 6.9 171 173 A N + 0 0 14 -2,-0.3 365,-0.6 -71,-0.2 2,-0.5 -0.687 57.8 152.1 -84.5 92.7 15.6 -62.7 9.1 172 174 A D > - 0 0 4 -2,-1.4 3,-1.2 363,-0.2 363,-0.2 -0.864 23.3-179.5-133.6 96.1 17.9 -60.8 6.8 173 175 A R G > S+ 0 0 32 -2,-0.5 3,-2.7 1,-0.3 4,-0.3 0.824 76.1 70.7 -67.2 -35.1 20.8 -59.0 8.5 174 176 A A G 3 S+ 0 0 1 1,-0.3 563,-2.8 2,-0.1 564,-0.4 0.550 94.8 58.1 -59.3 -11.7 22.3 -57.5 5.3 175 177 A L G < S+ 0 0 2 -3,-1.2 20,-2.6 561,-0.2 -1,-0.3 0.383 78.8 92.6-100.7 2.0 19.3 -55.2 5.2 176 178 A R S < S+ 0 0 28 -3,-2.7 2,-0.4 567,-0.3 -2,-0.1 0.882 99.1 19.0 -59.7 -44.2 19.9 -53.7 8.6 177 179 A N S S+ 0 0 59 561,-0.4 561,-1.9 -4,-0.3 17,-0.3 -0.897 81.7 151.4-137.1 103.8 21.9 -50.8 7.3 178 180 A I E -O 193 0E 3 15,-2.5 15,-1.7 -2,-0.4 2,-0.4 -0.659 39.5-127.7-123.9 171.7 21.6 -49.8 3.6 179 181 A V E -OP 192 735E 29 556,-2.2 556,-1.8 13,-0.2 13,-0.2 -0.987 31.7-174.0-123.7 122.6 21.9 -46.7 1.5 180 182 A I E +O 191 0E 0 11,-2.9 11,-1.9 -2,-0.4 551,-0.2 -0.451 51.6 50.2-105.4 178.6 19.0 -46.0 -0.8 181 183 A G S S+ 0 0 0 549,-3.0 3,-0.4 9,-0.2 6,-0.2 0.731 71.3 148.5 68.0 29.2 18.2 -43.4 -3.5 182 184 A L + 0 0 47 551,-1.9 551,-0.5 548,-0.4 -1,-0.2 -0.467 31.7 68.5 -89.3 163.7 21.3 -43.9 -5.6 183 185 A G S S- 0 0 62 -2,-0.1 3,-0.2 549,-0.1 2,-0.2 0.264 99.2 -76.6 111.6 -10.2 21.7 -43.6 -9.3 184 186 A G S > S- 0 0 44 -3,-0.4 3,-2.1 1,-0.2 4,-0.1 -0.519 71.2 -36.4 116.6-179.0 21.3 -39.9 -9.9 185 187 A K G > S+ 0 0 194 1,-0.3 3,-0.5 -2,-0.2 -1,-0.2 0.730 127.1 56.5 -57.3 -28.2 18.7 -37.2 -10.0 186 188 A A G 3 S+ 0 0 68 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.289 105.5 54.6 -82.6 12.0 16.1 -39.4 -11.7 187 189 A N G < S- 0 0 25 -3,-2.1 546,-0.3 1,-0.5 545,-0.2 0.203 107.3 -78.3-141.1 14.7 16.2 -42.0 -9.0 188 190 A G < - 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0 0 6 -3,-1.5 4,-1.7 1,-0.1 3,-0.3 -0.355 68.7-137.2 -70.6 149.1 10.4 -61.3 -10.7 758 204 B E H > S+ 0 0 29 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.851 110.9 60.8 -63.8 -35.2 11.9 -64.4 -12.4 759 205 B V H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.733 103.2 49.4 -63.5 -26.7 9.9 -66.2 -9.7 760 206 B M H > S+ 0 0 4 -3,-0.3 4,-2.0 -6,-0.2 -1,-0.2 0.890 110.4 49.5 -76.4 -45.1 6.7 -64.7 -11.1 761 207 B A H X S+ 0 0 2 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.941 111.0 50.8 -53.7 -47.5 7.8 -65.8 -14.5 762 208 B C H >X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 3,-1.2 0.915 106.5 53.3 -61.5 -45.2 8.4 -69.3 -13.1 763 209 B L H 3< S+ 0 0 0 -4,-1.6 77,-0.3 1,-0.2 -1,-0.2 0.924 109.9 49.7 -51.7 -45.4 5.0 -69.5 -11.5 764 210 B C H 3< S+ 0 0 0 -4,-2.0 75,-1.0 1,-0.2 -1,-0.2 0.503 121.1 33.2 -75.4 -11.4 3.4 -68.7 -14.9 765 211 B L H << S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.524 89.9 110.4-115.4 -18.4 5.4 -71.4 -16.8 766 212 B A < - 0 0 0 -4,-2.7 74,-0.4 -5,-0.2 73,-0.2 -0.352 56.9-150.6 -64.4 140.3 5.7 -74.1 -14.1 767 213 B S S S- 0 0 43 1,-0.1 2,-0.3 72,-0.1 -1,-0.1 0.851 72.3 -19.3 -79.7 -37.8 3.6 -77.2 -14.9 768 214 B D S > S- 0 0 65 1,-0.0 4,-1.9 72,-0.0 -1,-0.1 -0.840 82.4 -77.9-153.1-171.8 3.1 -78.2 -11.2 769 215 B L H > S+ 0 0 27 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.872 127.6 49.2 -67.3 -37.4 4.5 -77.5 -7.8 770 216 B M H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.817 111.0 49.5 -71.1 -31.4 7.5 -79.9 -8.3 771 217 B D H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.862 108.8 53.6 -74.4 -35.7 8.3 -78.4 -11.7 772 218 B L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.911 110.9 46.8 -59.7 -44.0 8.2 -75.0 -10.0 773 219 B K H X S+ 0 0 28 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.946 110.8 50.1 -63.3 -51.9 10.7 -76.3 -7.5 774 220 B E H X S+ 0 0 87 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.914 110.9 51.6 -49.7 -49.8 13.0 -77.8 -10.1 775 221 B R H >X S+ 0 0 32 -4,-2.6 3,-2.0 1,-0.2 4,-0.6 0.969 106.3 52.2 -52.3 -58.3 12.9 -74.5 -12.0 776 222 B F H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 16,-0.4 0.886 103.0 61.0 -44.4 -45.7 13.9 -72.6 -8.8 777 223 B S H 3< S+ 0 0 22 -4,-2.3 16,-2.1 1,-0.3 17,-0.3 0.784 103.6 49.7 -51.8 -33.9 16.8 -75.0 -8.4 778 224 B R H << S+ 0 0 131 -3,-2.0 -1,-0.3 -4,-1.0 -2,-0.2 0.482 82.4 123.8 -86.9 -5.8 18.2 -73.9 -11.8 779 225 B I << - 0 0 0 -3,-2.1 13,-2.2 -4,-0.6 2,-0.5 -0.328 55.8-140.2 -62.4 137.8 17.9 -70.2 -11.0 780 226 B V E +K 791 0M 8 11,-0.2 11,-0.2 1,-0.1 295,-0.1 -0.904 25.8 172.0-103.4 126.3 21.2 -68.3 -11.3 781 227 B V E - 0 0 0 9,-1.7 -61,-2.0 -2,-0.5 -62,-1.6 0.607 61.7 -52.0-107.4 -22.8 21.9 -65.7 -8.6 782 228 B G E -K 790 0M 0 8,-1.1 8,-2.3 -64,-0.3 -1,-0.3 -0.973 57.6 -84.5 173.3-163.8 25.6 -64.9 -9.5 783 229 B Y E -K 789 0M 20 -69,-0.4 -69,-2.8 -2,-0.3 -66,-0.3 -0.824 29.0-114.7-129.4 165.5 29.1 -66.2 -10.2 784 230 B T B > -I 713 0K 12 4,-1.4 3,-0.9 -71,-0.3 -71,-0.2 -0.395 44.0 -96.2 -87.2 174.5 32.2 -67.3 -8.3 785 231 B Y T 3 S+ 0 0 121 -73,-1.4 -72,-0.1 1,-0.2 -1,-0.1 0.874 129.1 53.7 -60.9 -36.8 35.5 -65.5 -8.6 786 232 B D T 3 S- 0 0 127 -74,-0.3 -1,-0.2 2,-0.1 -73,-0.1 0.689 123.5-107.4 -66.5 -21.9 36.6 -68.1 -11.2 787 233 B G S < S+ 0 0 35 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.385 70.0 144.8 105.9 -0.6 33.3 -67.3 -13.2 788 234 B K - 0 0 44 1,-0.1 -4,-1.4 -5,-0.1 -1,-0.3 -0.580 52.9-116.1 -69.3 120.9 31.4 -70.5 -12.5 789 235 B P E -K 783 0M 37 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.170 24.5-152.6 -58.4 153.3 27.7 -69.9 -12.1 790 236 B V E -K 782 0M 5 -8,-2.3 -9,-1.7 -6,-0.0 -8,-1.1 -0.985 14.0-163.1-129.6 136.1 26.1 -70.5 -8.7 791 237 B T E > -K 780 0M 21 -2,-0.4 4,-1.0 -11,-0.2 3,-0.4 -0.700 37.9-108.7-121.0 167.8 22.4 -71.4 -8.5 792 238 B A T >4>S+ 0 0 0 -13,-2.2 5,-1.7 -16,-0.4 3,-0.8 0.907 122.0 61.9 -59.9 -40.0 19.6 -71.5 -5.9 793 239 B G G >45S+ 0 0 17 -16,-2.1 3,-0.9 -17,-0.3 -1,-0.2 0.867 101.0 51.7 -45.3 -42.4 20.1 -75.3 -6.2 794 240 B D G 345S+ 0 0 86 -3,-0.4 -1,-0.2 -17,-0.3 -2,-0.2 0.764 110.7 48.5 -70.0 -23.6 23.6 -74.8 -4.9 795 241 B L G <<5S- 0 0 11 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.382 108.3-127.4 -97.0 1.6 22.1 -72.8 -2.0 796 242 B E T < 5 + 0 0 106 -3,-0.9 4,-0.2 -4,-0.5 -251,-0.2 0.871 69.9 129.3 54.5 45.1 19.6 -75.5 -1.3 797 243 B A >>< + 0 0 0 -5,-1.7 4,-1.8 1,-0.1 3,-0.6 0.670 37.9 87.2-102.1 -23.7 16.8 -72.9 -1.4 798 244 B Q H 3> S+ 0 0 34 -6,-0.3 4,-2.5 1,-0.3 5,-0.2 0.747 86.1 55.2 -58.9 -29.5 14.3 -74.5 -3.9 799 245 B G H 3> S+ 0 0 3 -254,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.941 110.5 45.3 -65.2 -45.5 12.5 -76.5 -1.2 800 246 B S H <> S+ 0 0 0 -3,-0.6 4,-1.7 -258,-0.5 -2,-0.2 0.811 114.5 48.0 -69.4 -32.6 11.8 -73.4 0.9 801 247 B M H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.921 111.2 50.0 -75.5 -44.9 10.7 -71.4 -2.1 802 248 B A H >< S+ 0 0 0 -4,-2.5 3,-1.3 -5,-0.2 -2,-0.2 0.906 109.3 54.7 -55.3 -42.5 8.4 -74.1 -3.3 803 249 B L H >< S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.3 4,-0.3 0.905 103.1 52.6 -59.9 -47.4 7.0 -74.2 0.2 804 250 B L T 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.540 113.2 48.0 -65.0 -9.0 6.1 -70.5 0.3 805 251 B M T <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.5 -1,-0.3 0.183 71.9 111.4-115.5 10.0 4.3 -71.1 -3.0 806 252 B K T <4 S+ 0 0 36 -3,-1.8 -2,-0.1 1,-0.2 4,-0.1 0.861 93.2 31.2 -58.0 -35.2 2.2 -74.2 -2.1 807 253 B D T >4 S+ 0 0 48 -4,-0.3 3,-1.9 2,-0.1 -1,-0.2 0.841 112.9 60.2 -87.2 -44.3 -1.0 -72.1 -2.3 808 254 B A T 34 S+ 0 0 3 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.751 92.4 69.6 -57.3 -26.8 0.0 -69.6 -4.9 809 255 B I T 3< S+ 0 0 7 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.1 0.741 84.0 86.0 -65.1 -23.0 0.5 -72.4 -7.4 810 256 B K S < S- 0 0 48 -3,-1.9 -212,-0.1 -5,-0.2 2,-0.1 -0.602 84.5-121.5 -79.8 137.3 -3.3 -72.9 -7.5 811 257 B P - 0 0 0 0, 0.0 -214,-2.4 0, 0.0 2,-0.6 -0.441 23.3-119.9 -76.7 157.8 -5.3 -70.8 -9.9 812 258 B N E -YF 596 824J 0 12,-0.7 12,-1.8 -216,-0.2 2,-0.4 -0.860 16.6-147.2-103.0 118.1 -8.0 -68.4 -8.6 813 259 B L E +YF 595 823J 15 -218,-2.0 -218,-1.8 -2,-0.6 2,-0.2 -0.702 35.3 144.2 -81.1 130.9 -11.6 -68.8 -9.8 814 260 B V E - F 0 822J 1 8,-3.2 8,-3.6 -2,-0.4 2,-0.3 -0.729 34.1-123.5-141.3-167.0 -13.6 -65.6 -10.0 815 261 B Q E -EF 674 821J 0 -141,-1.3 -141,-2.6 6,-0.3 2,-0.1 -0.848 10.1-107.9-139.5 173.3 -16.2 -64.4 -12.5 816 262 B T E > -E 673 0J 0 4,-1.3 3,-1.9 -143,-0.3 -143,-0.2 -0.432 47.6 -94.6 -89.9 173.5 -17.4 -61.8 -15.0 817 263 B L T 3 S+ 0 0 27 -145,-1.4 -248,-0.3 1,-0.3 -144,-0.1 0.774 130.5 50.2 -59.9 -28.0 -20.2 -59.3 -14.5 818 264 B E T 3 S- 0 0 51 -146,-0.2 -1,-0.3 2,-0.1 -248,-0.1 -0.061 126.7-103.2-100.0 28.9 -22.5 -61.7 -16.3 819 265 B N < + 0 0 51 -3,-1.9 -2,-0.1 1,-0.2 -146,-0.0 0.604 67.1 156.0 62.3 19.8 -21.3 -64.5 -14.0 820 266 B T - 0 0 9 1,-0.1 -4,-1.3 -187,-0.1 -1,-0.2 -0.652 50.1-112.0 -79.1 121.7 -19.0 -66.2 -16.6 821 267 B P E - 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