==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/LYASE 08-JUL-12 4FZW . COMPND 2 MOLECULE: 2,3-DEHYDROADIPYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.M.GRISHIN,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURAL . 1009 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 768 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 4.3 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 . 7 0.7 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 . 65 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 386 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.6 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 1 4 2 6 4 3 6 3 3 1 3 4 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 7 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 PARALLEL BRIDGES PER LADDER . 1 4 0 0 0 3 1 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 0 4 0 3 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 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 S 0 0 119 0, 0.0 2,-1.0 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 144.1 -29.0 48.3 -18.4 2 3 A E E +A 17 0A 58 15,-1.4 15,-2.5 2,-0.0 2,-0.3 -0.328 360.0 24.8 93.9 -49.7 -31.8 46.0 -17.1 3 4 A L E S-A 16 0A 18 -2,-1.0 2,-0.4 13,-0.2 13,-0.2 -0.922 70.7-154.0-147.5 121.4 -34.5 48.6 -16.9 4 5 A I E -A 15 0A 73 11,-2.4 11,-2.7 -2,-0.3 2,-0.5 -0.797 10.3-155.9 -96.5 138.6 -34.6 51.8 -18.9 5 6 A V E +A 14 0A 61 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.946 20.1 163.3-117.1 132.7 -36.4 54.7 -17.5 6 7 A S E -A 13 0A 46 7,-2.2 7,-3.1 -2,-0.5 2,-0.4 -0.916 20.4-140.1-147.4 166.7 -37.9 57.5 -19.7 7 8 A R E +A 12 0A 120 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.974 18.5 178.1-141.0 141.2 -40.4 60.2 -19.4 8 9 A Q E > -A 11 0A 90 3,-2.7 3,-1.8 -2,-0.4 2,-0.1 -0.805 70.0 -64.9-142.1 99.4 -43.1 61.9 -21.4 9 10 A Q T 3 S- 0 0 109 -2,-0.3 -1,-0.3 1,-0.3 36,-0.0 -0.327 118.3 -13.5 51.3-130.4 -44.8 64.7 -19.4 10 11 A R T 3 S+ 0 0 76 36,-0.1 37,-3.9 184,-0.1 38,-2.1 0.217 120.2 99.8 -86.0 19.5 -46.6 63.2 -16.4 11 12 A V E < -Ab 8 48A 1 -3,-1.8 -3,-2.7 35,-0.2 2,-0.5 -0.911 60.2-157.1-106.3 128.2 -46.2 59.8 -18.0 12 13 A L E -Ab 7 49A 10 36,-2.7 38,-2.6 -2,-0.5 2,-0.5 -0.908 5.3-152.7-109.7 127.6 -43.4 57.5 -16.8 13 14 A L E -Ab 6 50A 12 -7,-3.1 -7,-2.2 -2,-0.5 2,-0.6 -0.846 8.4-170.5-107.0 128.2 -42.0 54.8 -19.1 14 15 A L E -Ab 5 51A 0 36,-2.7 38,-2.2 -2,-0.5 2,-0.7 -0.947 5.8-167.9-119.8 111.8 -40.5 51.6 -17.7 15 16 A T E -Ab 4 52A 28 -11,-2.7 -11,-2.4 -2,-0.6 2,-0.3 -0.865 18.5-138.2-107.8 109.6 -38.8 49.4 -20.3 16 17 A L E -A 3 0A 1 36,-2.6 -13,-0.2 -2,-0.7 2,-0.2 -0.479 26.7-173.2 -59.5 125.1 -37.7 45.9 -19.3 17 18 A N E +A 2 0A 60 -15,-2.5 -15,-1.4 -2,-0.3 -14,-0.1 -0.558 40.7 112.4-132.7 68.9 -34.3 45.6 -20.9 18 19 A R > > + 0 0 45 -2,-0.2 5,-2.6 1,-0.1 3,-1.2 -0.542 31.7 167.5-128.7 69.3 -32.7 42.1 -20.7 19 20 A P G > 5S+ 0 0 84 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.901 73.2 51.9 -52.2 -55.1 -32.7 41.0 -24.4 20 21 A A G 3 5S+ 0 0 110 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.751 114.4 45.7 -58.3 -23.9 -30.4 38.0 -24.1 21 22 A A G X 5S- 0 0 32 -3,-1.2 3,-1.9 3,-0.1 -1,-0.3 0.166 117.8-109.6-102.3 18.3 -32.6 36.7 -21.3 22 23 A R T < 5 - 0 0 119 -3,-2.7 38,-2.5 1,-0.3 -2,-0.1 0.884 68.8 -67.8 56.5 41.2 -35.9 37.4 -23.1 23 24 A N T 3 - 0 0 14 -2,-1.3 4,-3.1 36,-0.2 5,-0.2 -0.287 29.8-120.9 -65.0 156.5 -34.7 39.1 -12.5 27 28 A N H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 123.0 47.2 -60.1 -43.5 -34.7 39.5 -8.8 28 29 A A H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 112.5 48.7 -63.4 -44.1 -32.6 42.6 -9.6 29 30 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.939 110.5 50.0 -59.5 -51.2 -35.1 43.6 -12.3 30 31 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.929 111.4 49.1 -53.6 -47.6 -38.1 43.1 -10.0 31 32 A M H X S+ 0 0 72 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.874 110.2 50.8 -62.6 -38.3 -36.4 45.3 -7.3 32 33 A Q H X S+ 0 0 61 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.850 109.4 50.9 -67.7 -33.0 -35.7 48.0 -9.8 33 34 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 112.1 48.0 -67.6 -43.3 -39.3 48.0 -11.0 34 35 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.934 111.0 49.4 -63.2 -50.3 -40.3 48.3 -7.3 35 36 A N H X S+ 0 0 87 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.879 112.7 48.4 -56.1 -37.2 -37.9 51.2 -6.6 36 37 A E H X S+ 0 0 60 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.945 113.5 44.5 -73.6 -45.8 -39.1 53.1 -9.7 37 38 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.912 111.9 52.2 -65.1 -42.7 -42.8 52.7 -9.0 38 39 A E H X S+ 0 0 76 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.846 111.2 49.3 -63.8 -30.3 -42.4 53.6 -5.3 39 40 A A H < S+ 0 0 53 -4,-1.4 3,-0.4 -5,-0.2 4,-0.4 0.856 112.1 47.4 -73.2 -37.5 -40.5 56.7 -6.4 40 41 A A H >< S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 6,-0.3 0.837 97.6 71.0 -73.4 -34.5 -43.2 57.7 -8.9 41 42 A A H 3< S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.858 110.2 32.7 -46.4 -38.9 -46.0 57.1 -6.3 42 43 A T T 3< S+ 0 0 117 -4,-0.6 2,-0.8 -3,-0.4 -1,-0.3 0.419 92.2 102.3-105.5 -1.1 -44.8 60.3 -4.5 43 44 A D X - 0 0 57 -3,-1.0 3,-1.8 -4,-0.4 -4,-0.0 -0.787 56.5-161.7 -85.7 108.9 -43.6 62.3 -7.5 44 45 A T T 3 S+ 0 0 123 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.1 0.507 85.7 68.8 -71.0 -5.6 -46.4 64.8 -8.0 45 46 A S T 3 S+ 0 0 38 -5,-0.1 2,-0.4 -36,-0.0 -1,-0.3 0.491 91.0 76.0 -90.0 -2.9 -45.1 65.4 -11.5 46 47 A I < + 0 0 9 -3,-1.8 -35,-0.2 -6,-0.3 -36,-0.1 -0.890 43.2 162.6-110.5 137.3 -46.2 61.9 -12.5 47 48 A S + 0 0 3 -37,-3.9 2,-0.3 -2,-0.4 -36,-0.2 0.630 67.1 20.2-119.1 -28.7 -49.8 60.8 -13.2 48 49 A V E -b 11 0A 0 -38,-2.1 -36,-2.7 44,-0.1 -1,-0.4 -0.984 58.3-151.2-145.7 148.1 -49.4 57.5 -15.1 49 50 A C E -bc 12 94A 0 44,-2.6 46,-2.6 -2,-0.3 2,-0.4 -0.942 6.3-160.7-120.1 147.0 -46.9 54.7 -15.7 50 51 A V E -bc 13 95A 0 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.4 -0.993 5.1-160.8-121.4 132.9 -46.5 52.5 -18.8 51 52 A I E +bc 14 96A 0 44,-3.1 46,-3.7 -2,-0.4 2,-0.3 -0.958 21.7 155.0-112.3 134.5 -44.6 49.2 -18.7 52 53 A T E -bc 15 97A 2 -38,-2.2 -36,-2.6 -2,-0.4 46,-0.2 -0.909 25.8-159.7-145.5 171.1 -43.3 47.5 -21.8 53 54 A G - 0 0 7 44,-0.6 5,-0.3 1,-0.3 2,-0.2 0.013 46.9 -68.2-117.5-129.2 -40.6 45.1 -23.1 54 55 A N - 0 0 52 3,-3.8 45,-0.3 45,-0.2 -1,-0.3 -0.548 51.5 -86.9-118.0-170.4 -39.4 44.9 -26.7 55 56 A A S S+ 0 0 68 -2,-0.2 45,-0.2 1,-0.2 3,-0.1 0.888 126.6 37.2 -66.9 -39.6 -41.1 43.6 -29.9 56 57 A R S S+ 0 0 159 1,-0.2 45,-1.8 44,-0.2 2,-0.4 0.832 126.9 23.1 -83.7 -34.8 -40.1 40.0 -29.4 57 58 A F E +g 101 0C 10 43,-0.3 -3,-3.8 1,-0.2 -1,-0.2 -0.996 36.6 179.0-138.7 136.3 -40.6 39.8 -25.6 58 59 A F E S- 0 0 0 43,-2.3 2,-0.3 -2,-0.4 44,-0.2 0.864 91.6 -38.6 -81.8 -64.1 -42.5 41.6 -22.9 59 60 A A E -g 102 0C 0 42,-1.7 44,-1.8 -6,-0.1 2,-0.9 -0.822 52.3-151.1-162.8 124.9 -41.1 39.3 -20.3 60 61 A A E -g 103 0C 26 -38,-2.5 2,-0.2 -2,-0.3 -36,-0.2 -0.461 61.1 -76.3 -99.6 59.9 -40.6 35.6 -20.8 61 62 A G - 0 0 12 42,-1.2 -36,-3.1 -2,-0.9 2,-0.3 -0.568 68.0 -59.3 90.9-150.0 -41.0 34.4 -17.3 62 63 A A B -f 25 0B 39 -38,-0.3 -36,-0.2 -2,-0.2 2,-0.1 -0.871 66.3 -67.3-133.0 163.4 -38.4 34.8 -14.5 63 64 A D > - 0 0 39 -38,-0.9 4,-0.6 -2,-0.3 -2,-0.0 -0.338 41.9-155.5 -56.6 122.1 -34.9 33.5 -13.9 64 65 A L H > S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.717 89.1 53.4 -76.3 -22.9 -35.2 29.8 -13.6 65 66 A N H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.888 101.9 56.6 -76.3 -44.2 -32.0 29.4 -11.6 66 67 A E H 4 S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.739 111.3 46.7 -60.7 -22.7 -33.0 31.9 -8.9 67 68 A M H >< S+ 0 0 91 -4,-0.6 3,-0.6 2,-0.1 -1,-0.2 0.744 108.6 53.6 -93.3 -23.8 -36.1 29.8 -8.4 68 69 A A H 3< S+ 0 0 69 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.939 97.4 61.5 -74.4 -49.1 -34.3 26.4 -8.3 69 70 A E T 3< S+ 0 0 154 -4,-2.1 2,-0.6 5,-0.0 -1,-0.2 0.293 88.4 94.0 -67.5 15.2 -31.7 27.2 -5.5 70 71 A K < - 0 0 39 -3,-0.6 2,-0.2 -5,-0.1 -3,-0.0 -0.958 59.4-173.6-108.6 119.4 -34.7 27.8 -3.3 71 72 A D > - 0 0 114 -2,-0.6 4,-3.1 1,-0.0 5,-0.3 -0.448 48.8 -77.1 -99.8 178.9 -35.8 24.8 -1.2 72 73 A L H > S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 418,-0.1 0.872 136.3 41.3 -41.1 -48.7 -38.8 24.3 1.0 73 74 A A H > S+ 0 0 38 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.883 117.2 46.7 -71.0 -41.4 -37.0 26.4 3.7 74 75 A A H 4 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.717 110.2 54.7 -73.3 -23.0 -35.7 29.0 1.2 75 76 A T H >< S+ 0 0 80 -4,-3.1 3,-1.1 2,-0.2 -2,-0.2 0.872 102.7 55.8 -78.8 -37.6 -39.0 29.3 -0.5 76 77 A L H 3< S+ 0 0 66 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.876 114.0 39.9 -58.0 -39.7 -40.9 30.1 2.7 77 78 A N T 3< S+ 0 0 83 -4,-1.1 -1,-0.2 222,-0.0 -2,-0.2 0.191 84.8 143.1-100.8 16.0 -38.6 33.1 3.5 78 79 A D < - 0 0 38 -3,-1.1 4,-0.3 1,-0.1 -3,-0.1 -0.243 45.1-147.7 -61.0 143.5 -38.3 34.4 -0.1 79 80 A T S >> S+ 0 0 69 1,-0.2 3,-1.3 2,-0.1 4,-1.0 0.828 82.5 79.0 -78.2 -37.8 -38.1 38.2 -0.6 80 81 A R H 3> S+ 0 0 33 1,-0.3 4,-2.4 2,-0.2 3,-0.5 0.773 80.2 64.0 -45.1 -44.3 -39.9 38.3 -4.0 81 82 A P H 3> S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.859 104.4 47.5 -57.6 -34.2 -43.6 37.9 -2.8 82 83 A Q H <> S+ 0 0 110 -3,-1.3 4,-2.4 -4,-0.3 -2,-0.2 0.797 106.4 58.7 -73.6 -30.7 -43.4 41.3 -0.9 83 84 A L H X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.5 -1,-0.2 0.956 106.9 47.3 -58.9 -50.0 -41.8 42.9 -4.1 84 85 A W H X S+ 0 0 17 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.853 110.3 52.9 -58.8 -35.9 -45.0 41.8 -5.9 85 86 A A H X S+ 0 0 52 -4,-1.3 4,-1.0 -5,-0.2 -1,-0.2 0.858 109.1 49.0 -71.2 -34.7 -47.1 43.2 -3.1 86 87 A R H < S+ 0 0 73 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.838 109.0 52.7 -69.9 -33.2 -45.3 46.5 -3.4 87 88 A L H >< S+ 0 0 3 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.927 109.6 49.4 -65.0 -44.7 -45.8 46.6 -7.2 88 89 A Q H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.784 102.3 63.8 -63.6 -26.2 -49.5 46.1 -6.6 89 90 A A T 3< + 0 0 66 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.606 69.8 123.1 -79.9 -11.2 -49.5 48.9 -4.1 90 91 A F < - 0 0 6 -3,-1.3 4,-0.1 -4,-0.4 -52,-0.1 -0.281 53.3-153.3 -50.2 132.6 -48.5 51.5 -6.7 91 92 A N + 0 0 61 -54,-0.2 114,-0.2 2,-0.1 -1,-0.1 0.326 60.9 78.4-105.5 5.9 -51.3 54.0 -6.5 92 93 A K S S- 0 0 7 1,-0.1 -44,-0.1 113,-0.1 -45,-0.1 -0.842 96.2 -73.1-117.4 153.0 -51.3 55.5 -10.0 93 94 A P - 0 0 13 0, 0.0 -44,-2.6 0, 0.0 2,-0.5 -0.170 50.1-162.7 -41.4 120.1 -52.7 54.2 -13.4 94 95 A L E -c 49 0A 3 -46,-0.2 21,-1.7 -4,-0.1 20,-1.5 -0.948 6.2-171.1-120.1 110.8 -50.5 51.4 -14.5 95 96 A I E -cd 50 115A 0 -46,-2.6 -44,-3.1 -2,-0.5 2,-0.6 -0.889 12.5-150.4-106.9 125.9 -50.6 50.4 -18.2 96 97 A A E -cd 51 116A 0 19,-2.8 21,-2.4 -2,-0.5 2,-0.8 -0.859 5.5-162.5 -92.1 120.8 -48.9 47.3 -19.6 97 98 A A E -cd 52 117A 0 -46,-3.7 -44,-0.6 -2,-0.6 2,-0.5 -0.842 19.9-165.0-102.6 93.8 -47.9 47.8 -23.3 98 99 A V E + d 0 118A 0 19,-2.3 21,-2.1 -2,-0.8 2,-0.3 -0.703 18.6 169.3 -95.9 118.6 -47.2 44.1 -24.3 99 100 A N - 0 0 11 -2,-0.5 -45,-0.2 -45,-0.3 -43,-0.1 -0.868 59.8 -14.6-113.1 157.1 -45.4 43.0 -27.5 100 101 A G S S+ 0 0 9 -2,-0.3 23,-1.7 -43,-0.2 -43,-0.3 -0.064 115.9 9.7 52.3-150.7 -44.3 39.5 -28.2 101 102 A Y E +gh 57 123C 99 -45,-1.8 -43,-2.3 21,-0.2 -42,-1.7 -0.408 46.7 176.5 -67.8 124.5 -44.3 37.0 -25.3 102 103 A A E +gh 59 124C 0 21,-2.9 23,-1.7 -2,-0.2 2,-0.3 -0.859 29.1 161.3-117.8 92.6 -45.8 37.6 -21.9 103 104 A L E > -gh 60 125C 37 -44,-1.8 3,-2.6 -2,-0.5 -42,-1.2 -0.825 49.9 -30.6-116.4 153.8 -45.3 34.3 -20.2 104 105 A G T 3> S+ 0 0 4 21,-1.4 4,-2.2 -2,-0.3 5,-0.1 -0.206 138.8 8.9 47.6-107.3 -45.3 33.1 -16.5 105 106 A A H 3> S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.847 132.1 57.3 -69.2 -35.6 -44.0 36.0 -14.5 106 107 A G H <> S+ 0 0 0 -3,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.941 110.8 42.3 -59.8 -49.1 -44.2 38.2 -17.6 107 108 A C H > S+ 0 0 0 18,-0.4 4,-2.6 2,-0.2 3,-0.4 0.895 112.5 53.1 -63.2 -41.9 -47.9 37.5 -17.9 108 109 A E H X S+ 0 0 7 -4,-2.2 4,-1.3 1,-0.3 -1,-0.2 0.844 107.0 54.6 -64.8 -31.1 -48.5 37.8 -14.2 109 110 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -1,-0.3 0.785 108.3 47.4 -72.1 -26.5 -46.9 41.2 -14.4 110 111 A A H < S+ 0 0 0 -4,-1.0 3,-0.3 -3,-0.4 -2,-0.2 0.886 110.0 52.2 -80.8 -38.7 -49.3 42.3 -17.1 111 112 A L H < S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.796 102.2 61.9 -59.8 -32.1 -52.3 41.0 -15.1 112 113 A L H < S+ 0 0 17 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.902 91.9 86.8 -61.2 -39.1 -51.0 43.0 -12.2 113 114 A C S < S- 0 0 10 -4,-0.8 -18,-0.2 -3,-0.3 3,-0.1 -0.126 82.1-127.8 -65.4 159.1 -51.5 46.2 -14.3 114 115 A D S S+ 0 0 69 -20,-1.5 2,-0.4 1,-0.2 -19,-0.2 0.924 92.1 20.4 -69.8 -43.9 -54.7 48.1 -14.5 115 116 A V E -d 95 0A 37 -21,-1.7 -19,-2.8 2,-0.0 2,-0.6 -0.988 64.8-156.3-135.3 130.8 -54.9 48.1 -18.3 116 117 A V E -d 96 0A 10 -2,-0.4 58,-2.5 -21,-0.2 59,-0.7 -0.925 7.2-176.8-110.5 119.9 -53.3 46.0 -21.0 117 118 A V E -de 97 175A 0 -21,-2.4 -19,-2.3 -2,-0.6 2,-0.3 -0.958 20.8-167.3-102.2 125.1 -52.7 47.1 -24.6 118 119 A A E -de 98 176A 0 57,-2.2 59,-2.4 -2,-0.5 2,-0.2 -0.725 17.9-119.4-111.4 160.3 -51.2 44.3 -26.6 119 120 A G E > - 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0 0 152 -3,-1.8 38,-2.1 1,-0.3 -2,-0.1 0.761 68.4 -66.1 54.5 29.3 -45.5 60.2 27.1 280 24 B N T 3 - 0 0 27 -2,-1.0 4,-3.6 36,-0.2 5,-0.2 -0.433 30.3-118.9 -71.5 157.0 -43.5 59.9 16.3 284 28 B N H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.949 122.5 45.1 -53.7 -51.0 -43.2 59.6 12.5 285 29 B A H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 114.5 48.3 -61.4 -42.0 -39.6 58.9 13.2 286 30 B L H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.967 112.1 48.6 -65.4 -53.2 -40.4 56.5 16.1 287 31 B L H X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.911 113.1 48.1 -45.0 -50.2 -43.0 54.7 14.0 288 32 B M H X S+ 0 0 67 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.899 110.6 51.3 -66.3 -38.9 -40.4 54.4 11.1 289 33 B Q H X S+ 0 0 27 -4,-2.6 4,-2.5 2,-0.2 3,-0.2 0.956 108.9 51.3 -56.3 -54.5 -37.7 53.2 13.5 290 34 B L H X S+ 0 0 3 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.885 108.6 52.1 -49.0 -47.3 -40.1 50.5 14.8 291 35 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.893 110.0 48.1 -58.4 -40.8 -40.8 49.4 11.3 292 36 B N H X S+ 0 0 71 -4,-1.9 4,-2.8 -3,-0.2 -2,-0.2 0.908 110.5 51.6 -71.3 -38.1 -37.1 49.0 10.5 293 37 B E H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 114.0 42.3 -59.5 -53.5 -36.5 47.1 13.7 294 38 B L H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.866 114.0 51.2 -65.6 -39.1 -39.3 44.5 13.0 295 39 B E H X S+ 0 0 70 -4,-2.3 4,-0.9 -5,-0.3 3,-0.4 0.975 111.6 47.7 -61.8 -48.8 -38.4 44.2 9.4 296 40 B A H >X S+ 0 0 61 -4,-2.8 3,-0.8 1,-0.2 4,-0.7 0.909 113.8 48.4 -55.8 -43.0 -34.8 43.6 10.3 297 41 B A H 3< S+ 0 0 2 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.789 96.8 72.2 -64.2 -31.3 -36.0 41.0 12.9 298 42 B A H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.836 110.0 30.7 -53.6 -32.4 -38.3 39.4 10.3 299 43 B T H << S+ 0 0 113 -4,-0.9 2,-0.8 -3,-0.8 -1,-0.2 0.494 89.9 105.6-111.8 -7.7 -35.3 37.9 8.6 300 44 B D >< - 0 0 56 -4,-0.7 3,-2.0 -3,-0.3 -4,-0.0 -0.682 56.7-158.9 -75.1 109.9 -32.9 37.4 11.5 301 45 B T T 3 S+ 0 0 125 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.1 0.479 87.6 66.0 -75.1 -1.2 -33.1 33.7 12.0 302 46 B S T 3 S+ 0 0 36 -5,-0.0 2,-0.4 -36,-0.0 -1,-0.3 0.531 91.5 78.4 -91.4 -8.3 -31.9 34.1 15.6 303 47 B I < + 0 0 8 -3,-2.0 -35,-0.2 -6,-0.2 -36,-0.1 -0.856 42.1 159.4-104.2 138.7 -35.1 35.9 16.4 304 48 B S + 0 0 3 -37,-3.1 2,-0.3 -2,-0.4 -36,-0.2 0.620 66.7 21.2-123.2 -33.3 -38.4 34.0 17.1 305 49 B V E -l 268 0D 0 -38,-2.0 -36,-2.8 44,-0.1 -1,-0.4 -0.978 59.1-151.1-139.2 150.5 -40.6 36.5 19.0 306 50 B C E -lm 269 351D 0 44,-2.4 46,-2.2 -2,-0.3 2,-0.4 -0.883 4.9-160.5-115.2 154.2 -40.8 40.3 19.7 307 51 B V E -lm 270 352D 0 -38,-2.1 -36,-2.5 -2,-0.3 2,-0.5 -0.992 7.7-159.2-128.0 138.1 -42.1 42.1 22.8 308 52 B I E +lm 271 353D 1 44,-3.1 46,-2.5 -2,-0.4 2,-0.3 -0.975 22.5 155.6-122.5 126.8 -43.1 45.8 22.6 309 53 B T E -lm 272 354D 1 -38,-2.8 -36,-3.4 -2,-0.5 46,-0.1 -0.953 27.2-163.7-147.3 162.6 -43.3 48.0 25.7 310 54 B G - 0 0 7 44,-0.6 5,-0.3 -2,-0.3 2,-0.2 0.176 47.7 -68.1-110.4-126.9 -43.1 51.4 27.1 311 55 B N - 0 0 51 3,-3.7 45,-0.3 45,-0.2 -1,-0.3 -0.646 50.3 -87.9-121.5-174.7 -42.6 52.4 30.7 312 56 B A S S+ 0 0 68 -2,-0.2 3,-0.1 1,-0.2 66,-0.1 0.815 126.3 39.8 -67.7 -34.0 -44.7 52.1 33.9 313 57 B R S S+ 0 0 57 1,-0.2 45,-1.7 44,-0.1 2,-0.4 0.821 126.5 20.1 -83.6 -35.1 -46.5 55.4 33.3 314 58 B F E +q 358 0F 39 43,-0.3 -3,-3.7 1,-0.2 -1,-0.2 -0.996 36.4 179.0-139.1 142.3 -47.0 55.1 29.5 315 59 B F E S- 0 0 0 43,-2.9 2,-0.3 -2,-0.4 44,-0.2 0.804 91.9 -37.9 -89.0 -66.0 -47.1 52.5 26.8 316 60 B A E -q 359 0F 0 42,-1.7 44,-1.7 -6,-0.1 2,-1.2 -0.815 53.8-154.1-159.1 120.5 -47.8 55.1 24.2 317 61 B A E -q 360 0F 23 -38,-2.1 2,-0.2 -2,-0.3 -36,-0.2 -0.605 60.9 -71.6 -95.3 73.5 -50.2 58.1 24.8 318 62 B G - 0 0 15 42,-2.1 -36,-2.3 -2,-1.2 2,-0.3 -0.494 68.9 -64.2 85.3-149.4 -51.3 58.8 21.3 319 63 B A B -p 282 0E 42 -38,-0.3 2,-0.4 -2,-0.2 -36,-0.2 -0.875 63.6 -66.6-134.8 168.5 -49.2 60.3 18.5 320 64 B D > - 0 0 40 -38,-1.2 4,-0.8 -2,-0.3 -2,-0.1 -0.457 44.7-156.5 -59.5 114.8 -47.5 63.6 17.8 321 65 B L H > S+ 0 0 90 -2,-0.4 4,-0.6 1,-0.2 3,-0.3 0.810 87.8 55.3 -67.8 -32.5 -50.5 66.0 17.5 322 66 B N H >> S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 3,-1.2 0.917 101.0 58.2 -66.2 -46.3 -48.6 68.6 15.4 323 67 B E H 34 S+ 0 0 39 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.766 109.5 44.7 -57.0 -28.6 -47.6 66.0 12.8 324 68 B M H 3< S+ 0 0 79 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.541 112.0 53.3 -95.0 -5.9 -51.2 65.2 12.1 325 69 B A H << S+ 0 0 62 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.885 97.2 59.6 -87.8 -50.9 -52.4 68.8 12.1 326 70 B E S < S+ 0 0 149 -4,-2.1 2,-0.5 5,-0.0 -1,-0.1 0.395 91.1 93.5 -62.7 6.8 -50.0 70.3 9.5 327 71 B K - 0 0 36 -5,-0.2 2,-0.1 4,-0.1 -3,-0.0 -0.915 61.2-170.8-102.8 124.9 -51.5 67.7 7.2 328 72 B D > - 0 0 115 -2,-0.5 4,-3.3 1,-0.0 5,-0.3 -0.403 48.1 -77.5-102.3-178.3 -54.5 69.0 5.1 329 73 B L H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -96,-0.1 0.912 137.5 40.2 -46.3 -45.8 -56.9 67.2 2.9 330 74 B A H > S+ 0 0 38 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.967 116.5 47.4 -69.2 -53.2 -54.2 67.0 0.3 331 75 B A H 4 S+ 0 0 45 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.764 111.7 53.9 -58.6 -25.0 -51.3 66.3 2.7 332 76 B T H >< S+ 0 0 79 -4,-3.3 3,-0.8 1,-0.2 -1,-0.2 0.835 101.9 56.9 -80.3 -34.3 -53.5 63.6 4.4 333 77 B L H 3< S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.855 114.5 37.6 -60.9 -37.6 -54.2 61.7 1.1 334 78 B N T 3< S+ 0 0 86 -4,-1.3 -1,-0.2 -292,-0.0 -2,-0.2 0.242 85.2 143.1-103.2 12.8 -50.5 61.2 0.4 335 79 B D < - 0 0 37 -3,-0.8 4,-0.3 1,-0.1 -3,-0.1 -0.183 46.3-145.3 -57.7 143.6 -49.3 60.6 4.0 336 80 B T S >> S+ 0 0 49 1,-0.2 3,-1.3 2,-0.1 4,-0.9 0.799 82.4 82.3 -76.3 -31.3 -46.6 58.0 4.5 337 81 B R H >> S+ 0 0 30 1,-0.3 4,-2.1 2,-0.2 3,-0.7 0.784 80.0 60.5 -51.0 -44.5 -47.9 56.8 7.9 338 82 B P H 3> S+ 0 0 81 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.840 103.9 50.7 -57.7 -32.8 -50.5 54.3 6.7 339 83 B Q H <> S+ 0 0 102 -3,-1.3 4,-1.5 -4,-0.3 -2,-0.2 0.750 106.4 55.5 -77.6 -24.9 -48.0 52.2 4.8 340 84 B L H < S+ 0 0 1 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.940 110.1 48.6 -60.1 -49.4 -45.8 46.7 11.1 345 89 B Q H 3< S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.670 102.2 63.8 -64.8 -20.2 -48.8 44.3 10.6 346 90 B A T 3< + 0 0 52 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.556 68.9 124.4 -85.9 -7.1 -46.8 42.3 8.0 347 91 B F < - 0 0 7 -3,-1.4 -52,-0.1 -4,-0.3 4,-0.1 -0.359 53.9-153.8 -52.1 126.3 -44.2 41.4 10.6 348 92 B N + 0 0 56 -53,-0.1 115,-0.2 2,-0.1 -1,-0.2 0.487 62.5 77.6 -94.3 -5.1 -44.4 37.6 10.2 349 93 B K S S- 0 0 7 1,-0.1 -44,-0.1 -55,-0.1 -45,-0.1 -0.703 95.9 -76.2-105.3 157.3 -43.3 36.6 13.8 350 94 B P - 0 0 13 0, 0.0 -44,-2.4 0, 0.0 2,-0.5 -0.206 47.9-162.3 -51.3 134.9 -45.2 36.5 17.1 351 95 B L E -m 306 0D 3 -46,-0.2 20,-2.1 -4,-0.1 21,-1.5 -0.969 6.0-169.5-132.4 115.4 -45.6 40.0 18.5 352 96 B I E -mn 307 372D 0 -46,-2.2 -44,-3.1 -2,-0.5 2,-0.6 -0.895 10.3-152.1-110.4 129.8 -46.4 40.6 22.1 353 97 B A E -mn 308 373D 0 19,-2.7 21,-2.2 -2,-0.5 2,-0.8 -0.909 5.2-162.4 -98.8 119.3 -47.4 44.0 23.5 354 98 B A E -mn 309 374D 0 -46,-2.5 -44,-0.6 -2,-0.6 2,-0.6 -0.896 18.1-163.7-100.2 104.2 -46.5 44.4 27.2 355 99 B V E + n 0 375D 0 19,-2.6 21,-2.0 -2,-0.8 2,-0.4 -0.810 18.7 171.9-102.9 120.9 -48.6 47.3 28.3 356 100 B N - 0 0 10 -2,-0.6 -45,-0.2 -45,-0.3 -46,-0.1 -0.974 61.0 -22.3-115.2 140.1 -48.1 49.3 31.4 357 101 B G S S+ 0 0 8 -2,-0.4 23,-1.5 -43,-0.2 -43,-0.3 -0.188 114.5 18.1 61.0-151.2 -50.1 52.5 32.0 358 102 B Y E +qr 314 380F 98 -45,-1.7 -43,-2.9 21,-0.2 -42,-1.7 -0.291 45.5 170.6 -67.8 124.2 -51.7 54.5 29.2 359 103 B A E +qr 316 381F 0 21,-2.1 23,-1.6 -44,-0.2 2,-0.3 -0.840 28.0 160.7-120.5 87.2 -52.2 52.9 25.8 360 104 B L E > -qr 317 382F 35 -44,-1.7 3,-2.4 -2,-0.4 -42,-2.1 -0.857 51.3 -27.7-114.5 148.6 -54.3 55.7 24.2 361 105 B G T 3> S+ 0 0 5 21,-1.9 4,-2.8 -2,-0.3 3,-0.4 -0.291 140.0 10.3 53.2-119.1 -55.0 56.4 20.5 362 106 B A H 3> S+ 0 0 8 1,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.818 131.0 60.0 -59.0 -31.3 -52.1 55.2 18.4 363 107 B G H <> S+ 0 0 0 -3,-2.4 4,-2.1 -47,-0.3 -1,-0.3 0.913 108.0 41.5 -62.2 -46.4 -50.9 53.5 21.6 364 108 B C H > S+ 0 0 0 -3,-0.4 4,-2.9 18,-0.4 5,-0.3 0.953 115.4 52.3 -64.2 -46.8 -54.1 51.4 21.8 365 109 B E H X S+ 0 0 6 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.877 107.5 52.2 -55.7 -43.1 -54.0 50.9 18.1 366 110 B L H X S+ 0 0 1 -4,-3.4 4,-0.8 2,-0.2 3,-0.3 0.962 111.4 46.3 -54.3 -54.4 -50.4 49.7 18.3 367 111 B A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.912 110.1 52.2 -59.3 -46.9 -51.3 47.1 21.0 368 112 B L H 3< S+ 0 0 21 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.851 103.4 61.6 -52.4 -36.0 -54.4 45.9 19.1 369 113 B L H 3< S+ 0 0 16 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.788 91.3 86.3 -64.4 -26.0 -51.9 45.5 16.2 370 114 B C S << S- 0 0 10 -3,-1.2 -18,-0.2 -4,-0.8 3,-0.1 -0.258 83.8-126.2 -76.8 162.1 -50.0 42.9 18.3 371 115 B D S S+ 0 0 71 -20,-2.1 2,-0.4 1,-0.2 -19,-0.2 0.873 92.3 17.8 -77.3 -33.7 -50.9 39.2 18.4 372 116 B V E -n 352 0D 42 -21,-1.5 -19,-2.7 2,-0.0 2,-0.5 -0.993 65.3-153.0-140.3 140.0 -51.2 39.2 22.2 373 117 B V E -n 353 0D 8 -2,-0.4 58,-2.7 -21,-0.2 59,-0.5 -0.970 8.2-176.8-119.0 122.6 -51.5 41.7 24.9 374 118 B V E -n 354 0D 1 -21,-2.2 -19,-2.6 -2,-0.5 2,-0.2 -0.972 22.3-162.5-107.1 129.6 -50.3 41.3 28.5 375 119 B A E -no 355 433D 0 57,-3.3 59,-2.8 -2,-0.5 2,-0.2 -0.727 18.6-118.7-118.2 160.8 -51.2 44.3 30.7 376 120 B G E > - o 0 434D 0 -21,-2.0 3,-2.0 -2,-0.2 45,-0.2 -0.614 35.9-110.7 -90.6 155.7 -50.3 45.9 34.0 377 121 B E T 3 S+ 0 0 82 57,-2.1 44,-0.4 1,-0.3 45,-0.3 0.841 120.5 44.1 -55.9 -33.3 -52.9 46.2 36.7 378 122 B N T 3 S+ 0 0 50 56,-0.2 -1,-0.3 43,-0.1 -22,-0.1 0.319 86.9 126.9 -95.5 7.0 -52.9 50.0 36.2 379 123 B A < - 0 0 1 -3,-2.0 42,-1.3 -24,-0.2 2,-0.3 -0.267 42.6-155.6 -65.8 148.9 -52.9 49.9 32.4 380 124 B R E -rS 358 420F 85 -23,-1.5 -21,-2.1 40,-0.2 2,-0.4 -0.966 5.9-163.6-127.9 147.5 -55.6 51.9 30.4 381 125 B F E +rS 359 419F 0 38,-2.0 38,-2.0 -2,-0.3 2,-0.3 -0.994 27.0 131.9-133.0 126.7 -56.9 51.4 26.9 382 126 B G E -r 360 0F 0 -23,-1.6 -21,-1.9 -2,-0.4 -18,-0.4 -0.989 46.5-136.5-167.7 163.9 -58.9 53.9 24.9 383 127 B L > + 0 0 1 34,-0.4 3,-0.7 -2,-0.3 4,-0.1 -0.726 24.5 170.1-127.1 80.7 -59.3 55.8 21.6 384 128 B P T >> + 0 0 37 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.162 45.1 111.9 -83.5 23.8 -59.9 59.4 22.4 385 129 B E H >>> + 0 0 16 1,-0.2 5,-1.8 2,-0.2 3,-1.4 0.900 69.6 61.4 -58.9 -43.6 -59.6 60.4 18.7 386 130 B I H X45S+ 0 0 66 -3,-0.7 3,-0.6 27,-0.4 -1,-0.2 0.781 96.4 60.2 -55.8 -28.5 -63.3 61.3 18.5 387 131 B T H <45S+ 0 0 97 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.792 102.6 51.8 -72.9 -24.8 -62.8 64.0 21.2 388 132 B L H <<5S- 0 0 96 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.596 125.1-103.3 -83.2 -11.5 -60.3 65.8 18.9 389 133 B G T <<5S+ 0 0 69 -4,-0.6 -3,-0.2 -3,-0.6 2,-0.1 0.620 95.3 83.9 94.5 16.4 -62.8 65.8 16.1 390 134 B I < - 0 0 61 -5,-1.8 -1,-0.3 -6,-0.1 3,-0.0 -0.276 67.7-129.0-119.6-150.7 -61.2 62.9 14.2 391 135 B M - 0 0 115 -2,-0.1 2,-0.1 -6,-0.1 5,-0.1 -0.931 43.6 -56.7-154.0 177.0 -61.3 59.2 14.5 392 136 B P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.416 45.8-177.2 -61.3 136.2 -59.0 56.2 14.7 393 137 B G S S+ 0 0 71 -2,-0.1 -31,-0.0 1,-0.1 -32,-0.0 0.343 70.3 48.2-120.4 4.8 -56.7 56.2 11.8 394 138 B A S S- 0 0 10 -53,-0.0 -1,-0.1 -33,-0.0 -25,-0.1 -0.017 129.8 -60.6-140.4 34.9 -54.7 53.0 12.3 395 139 B G S >>>S+ 0 0 15 -3,-0.1 4,-2.9 3,-0.0 3,-2.3 0.274 92.4 124.2 110.4 -12.4 -57.2 50.2 12.9 396 140 B G T 345S+ 0 0 1 1,-0.3 4,-0.5 2,-0.2 5,-0.2 0.796 80.1 47.9 -47.2 -34.3 -58.8 51.4 16.1 397 141 B T T 345S+ 0 0 46 3,-0.1 -1,-0.3 2,-0.1 4,-0.0 0.537 121.8 34.1 -84.1 -7.3 -62.2 51.1 14.4 398 142 B Q T <>5S+ 0 0 96 -3,-2.3 4,-1.0 3,-0.1 -2,-0.2 0.764 116.4 43.6-117.8 -46.7 -61.5 47.6 13.0 399 143 B R H X5S+ 0 0 57 -4,-2.9 4,-0.6 2,-0.2 -3,-0.2 0.853 109.7 55.5 -79.7 -31.7 -59.4 45.6 15.4 400 144 B L H >> S+ 0 0 59 1,-0.3 4,-1.5 -5,-0.2 -1,-0.2 0.856 105.4 62.0 -65.3 -32.2 -64.7 45.5 17.5 402 146 B R H 3< S+ 0 0 139 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.729 116.9 28.6 -65.3 -21.3 -63.3 42.2 16.3 403 147 B S H << S+ 0 0 53 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.585 130.0 31.5-119.7 -11.8 -62.2 41.3 19.8 404 148 B V H X S- 0 0 20 -4,-2.0 4,-0.5 1,-0.1 -3,-0.2 0.354 103.8-111.6-127.3 4.9 -64.5 43.0 22.2 405 149 B G H X - 0 0 35 -4,-1.5 4,-1.8 -5,-0.3 5,-0.2 0.067 36.3 -72.7 85.9 164.3 -67.9 43.1 20.4 406 150 B K H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.821 121.5 54.4 -68.1 -32.8 -70.0 46.0 19.0 407 151 B S H > S+ 0 0 105 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.983 113.8 36.7 -70.6 -54.8 -71.2 47.5 22.2 408 152 B L H X S+ 0 0 41 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.934 119.5 49.9 -63.4 -50.0 -67.9 48.1 24.0 409 153 B A H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.897 112.6 45.8 -50.2 -49.6 -66.0 49.0 20.7 410 154 B S H X S+ 0 0 39 -4,-2.2 4,-3.5 -5,-0.2 5,-0.4 0.919 112.2 53.2 -67.5 -39.2 -68.7 51.5 19.6 411 155 B K H X>S+ 0 0 127 -4,-2.2 4,-3.3 -5,-0.3 5,-0.7 0.980 113.2 40.6 -53.6 -62.8 -68.8 53.1 23.1 412 156 B M H X5S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 -29,-0.3 0.871 120.7 44.7 -58.5 -40.8 -65.1 53.7 23.3 413 157 B V H <5S+ 0 0 23 -4,-2.3 -27,-0.4 -5,-0.2 -1,-0.2 0.927 120.2 38.1 -73.1 -45.4 -64.8 54.8 19.7 414 158 B L H <5S+ 0 0 122 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.849 131.0 28.6 -74.1 -36.3 -67.8 57.1 19.7 415 159 B S H <5S- 0 0 64 -4,-3.3 -3,-0.2 -5,-0.4 -2,-0.2 0.806 92.3-136.9 -94.9 -35.5 -67.4 58.5 23.2 416 160 B G << + 0 0 12 -4,-1.8 -4,-0.2 -5,-0.7 -3,-0.1 0.432 47.4 149.7 91.5 0.7 -63.6 58.3 23.7 417 161 B E - 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0 0 76 -2,-0.3 3,-2.7 -59,-0.2 4,-0.9 -0.312 50.4-114.1 -52.0 132.0 -47.3 31.7 -73.7 940 187 D D H >> S+ 0 0 71 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.776 113.4 56.3 -37.2 -43.1 -45.4 28.8 -72.0 941 188 D E H 34 S+ 0 0 156 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.613 109.4 44.6 -78.5 -13.3 -42.0 29.9 -73.4 942 189 D T H <> S+ 0 0 46 -3,-2.7 4,-3.1 2,-0.1 5,-0.3 0.501 88.9 90.2-102.1 -10.4 -42.3 33.4 -71.9 943 190 D L H S+ 0 0 112 2,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.950 113.4 42.2 -73.9 -51.7 -39.1 35.4 -68.4 946 193 D T H X S+ 0 0 41 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.890 114.9 50.1 -66.5 -43.8 -42.2 37.5 -67.5 947 194 D A H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.3 3,-0.3 0.983 113.1 46.0 -55.5 -58.2 -42.4 36.2 -63.9 948 195 D Q H X S+ 0 0 33 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.2 0.770 110.1 57.4 -58.5 -25.6 -38.8 36.9 -63.3 949 196 D Q H X S+ 0 0 136 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.939 109.6 42.6 -66.0 -49.3 -39.4 40.3 -64.9 950 197 D L H X S+ 0 0 40 -4,-2.4 4,-3.1 -3,-0.3 5,-0.2 0.887 112.2 53.4 -66.9 -41.7 -42.0 41.2 -62.4 951 198 D A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.892 108.8 49.1 -62.0 -42.0 -40.1 39.8 -59.4 952 199 D R H < S+ 0 0 106 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 113.1 49.3 -62.5 -39.6 -37.0 41.9 -60.3 953 200 D H H >< S+ 0 0 96 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.952 112.2 45.1 -63.3 -52.8 -39.3 44.9 -60.6 954 201 D L H >< S+ 0 0 20 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.820 102.0 68.3 -63.7 -31.0 -41.1 44.3 -57.2 955 202 D A T 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -145,-0.2 0.407 104.0 44.1 -69.8 1.9 -37.7 43.7 -55.6 956 203 D T T < S+ 0 0 69 -3,-1.6 56,-0.6 -146,-0.1 -1,-0.3 0.271 97.0 96.6-125.1 2.7 -36.9 47.4 -56.2 957 204 D Q S < S- 0 0 55 -3,-1.8 2,-1.7 -4,-0.2 3,-0.1 -0.487 100.5 -73.9 -93.4 164.5 -40.3 48.6 -55.0 958 205 D P > - 0 0 33 0, 0.0 4,-2.7 0, 0.0 5,-0.2 -0.366 53.0-173.1 -61.3 89.2 -41.0 49.9 -51.5 959 206 D T H > S+ 0 0 9 -2,-1.7 4,-2.4 1,-0.2 5,-0.1 0.811 79.8 52.3 -55.5 -38.2 -41.1 46.5 -49.9 960 207 D F H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.953 111.3 46.1 -63.8 -51.0 -42.3 47.8 -46.5 961 208 D G H >> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.948 112.8 51.1 -54.1 -50.3 -45.2 49.6 -48.1 962 209 D L H 3X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.835 106.7 54.7 -55.8 -39.5 -45.9 46.4 -50.2 963 210 D G H 3X S+ 0 0 3 -4,-2.4 4,-1.7 -111,-0.4 -1,-0.2 0.817 109.5 46.4 -64.6 -35.0 -45.9 44.3 -47.0 964 211 D L H < S+ 0 0 50 -4,-2.4 3,-1.0 -5,-0.2 4,-0.3 0.938 113.8 46.1 -51.7 -48.7 -55.5 39.9 -46.1 971 218 D S H >X S+ 0 0 39 -4,-2.8 3,-1.3 1,-0.2 4,-0.7 0.755 98.6 68.9 -69.9 -25.1 -57.0 41.4 -42.9 972 219 D A H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.725 81.7 76.6 -72.5 -19.7 -59.9 43.1 -44.7 973 220 D E T << S+ 0 0 87 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.807 111.6 23.4 -59.1 -31.9 -61.4 39.7 -45.5 974 221 D T T <4 S+ 0 0 109 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.364 107.5 92.1-118.2 3.3 -62.6 39.5 -41.9 975 222 D N S < S- 0 0 54 -4,-0.7 2,-0.1 -3,-0.2 0, 0.0 -0.706 70.4-123.4 -96.1 150.3 -62.8 43.1 -40.8 976 223 D T > - 0 0 87 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.408 34.4-105.3 -72.2 166.2 -65.6 45.5 -40.9 977 224 D L H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.889 122.7 53.7 -54.9 -40.4 -65.2 48.8 -42.8 978 225 D D H >> S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 3,-0.5 0.963 111.7 42.1 -64.7 -53.1 -65.0 50.5 -39.4 979 226 D T H 3> S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.919 113.7 55.2 -55.3 -43.3 -62.2 48.3 -38.1 980 227 D Q H 3X S+ 0 0 19 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.745 101.5 55.7 -69.8 -23.9 -60.5 48.5 -41.5 981 228 D L H < S+ 0 0 18 -4,-1.7 3,-1.7 -5,-0.2 4,-0.5 0.933 113.7 51.6 -67.6 -49.5 -46.3 53.7 -40.4 991 238 D A H >< S+ 0 0 18 -4,-3.2 3,-1.9 1,-0.3 6,-0.4 0.905 102.2 61.2 -57.0 -44.5 -45.8 53.9 -44.2 992 239 D G T 3< S+ 0 0 37 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.367 101.1 53.7 -67.9 5.5 -45.3 57.7 -44.2 993 240 D R T < S+ 0 0 143 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.448 85.7 109.1-112.8 -9.3 -42.3 57.4 -41.9 994 241 D S S <> S- 0 0 16 -3,-1.9 4,-1.3 -4,-0.5 3,-0.3 -0.230 78.6-122.4 -64.2 155.0 -40.5 55.0 -44.1 995 242 D A H > S+ 0 0 57 20,-1.7 4,-2.6 1,-0.2 5,-0.2 0.927 112.5 59.3 -58.0 -45.6 -37.4 56.1 -46.0 996 243 D D H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.744 98.7 56.2 -60.8 -28.0 -39.2 55.0 -49.2 997 244 D Y H > S+ 0 0 135 -6,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.978 111.4 43.2 -64.4 -52.8 -42.1 57.4 -48.7 998 245 D R H X S+ 0 0 62 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.913 116.0 48.6 -56.6 -45.8 -39.6 60.3 -48.5 999 246 D E H X S+ 0 0 37 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.900 110.9 51.7 -60.3 -42.9 -37.7 59.0 -51.5 1000 247 D G H X S+ 0 0 21 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.827 109.3 47.0 -68.9 -37.7 -40.9 58.5 -53.5 1001 248 D V H X S+ 0 0 59 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.713 116.6 45.6 -76.3 -22.1 -42.3 62.0 -53.0 1002 249 D S H X S+ 0 0 47 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.891 111.0 50.5 -87.3 -42.7 -38.9 63.6 -53.8 1003 250 D A H <>S+ 0 0 2 -4,-2.9 5,-2.5 2,-0.2 -2,-0.2 0.931 115.1 45.5 -52.2 -49.9 -38.2 61.5 -56.9 1004 251 D F H ><5S+ 0 0 169 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.940 112.7 48.3 -60.7 -51.9 -41.6 62.3 -58.2 1005 252 D L H 3<5S+ 0 0 133 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.0 45.1 -54.7 -34.1 -41.3 66.1 -57.4 1006 253 D A T 3<5S- 0 0 60 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.291 107.9-125.4 -96.7 10.0 -37.9 66.0 -59.1 1007 254 D K T < 5 + 0 0 201 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.828 69.9 125.0 42.3 41.3 -39.1 63.9 -62.1 1008 255 D R S