==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-FEB-11 3QW2 . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE (INO1); . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.NEELON,M.F.ROBERTS,B.STEC . 1568 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1167 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 7.5 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 83 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 238 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 491 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 1.7 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 7 3 4 4 1 4 4 4 6 1 8 7 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 9 7 0 8 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 PARALLEL BRIDGES PER LADDER . 8 0 0 0 0 0 2 0 7 1 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 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 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 1 A M 0 0 11 0, 0.0 51,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.7 -7.6 25.4 44.2 2 2 A K E -ab 52 142A 30 139,-1.9 141,-2.7 49,-0.2 2,-0.5 -0.915 360.0-167.1-103.2 130.7 -5.9 24.1 47.3 3 3 A V E -ab 53 143A 1 49,-2.9 51,-1.5 -2,-0.5 2,-0.5 -0.984 5.8-158.5-113.6 127.0 -3.7 20.9 47.1 4 4 A W E -ab 54 144A 6 139,-3.0 141,-2.2 -2,-0.5 2,-0.6 -0.909 16.4-154.0 -99.2 127.9 -2.6 19.3 50.4 5 5 A L E > -ab 55 145A 0 49,-2.6 51,-1.8 -2,-0.5 3,-0.9 -0.904 12.8-149.2-116.4 121.9 0.4 17.1 49.9 6 6 A V E 3 S+ab 56 146A 2 139,-2.2 141,-2.3 -2,-0.6 51,-0.2 -0.763 97.3 21.4 -83.9 117.2 1.5 14.1 51.9 7 7 A G T > S+ 0 0 11 49,-2.6 3,-2.1 -2,-0.7 6,-0.4 0.794 81.8 172.2 90.2 40.9 5.3 14.1 51.7 8 8 A A T < + 0 0 0 48,-1.8 49,-0.1 -3,-0.9 -2,-0.1 0.656 68.4 58.5 -62.5 -22.9 5.3 17.7 50.8 9 9 A Y T 3 S+ 0 0 5 47,-0.3 -1,-0.3 4,-0.1 48,-0.1 0.286 85.3 115.2 -93.0 10.5 9.1 18.1 51.0 10 10 A G S <> S- 0 0 20 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.168 78.2-116.0 -71.8 169.0 9.6 15.4 48.4 11 11 A I H > S+ 0 0 16 2,-0.2 4,-1.8 3,-0.2 5,-0.2 0.882 117.2 48.9 -75.6 -40.0 11.2 15.9 45.0 12 12 A V H > S+ 0 0 33 135,-0.2 4,-2.0 1,-0.2 3,-0.2 0.994 118.7 40.4 -60.3 -55.5 7.9 14.9 43.2 13 13 A S H > S+ 0 0 1 -6,-0.4 4,-2.0 134,-0.3 -2,-0.2 0.888 116.9 45.3 -60.6 -45.4 5.9 17.3 45.5 14 14 A T H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.807 112.4 52.9 -76.3 -22.8 8.3 20.3 45.5 15 15 A T H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.859 107.8 51.1 -72.8 -38.7 8.9 20.0 41.8 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.897 114.4 44.1 -60.6 -42.0 5.2 20.1 41.2 17 17 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.849 113.1 50.3 -74.1 -38.3 5.0 23.2 43.5 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.971 114.2 46.3 -62.2 -49.9 8.0 24.8 41.8 19 19 A G H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.841 108.8 54.5 -57.2 -39.1 6.4 24.1 38.4 20 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.907 110.5 44.9 -69.7 -38.6 3.0 25.5 39.4 21 21 A R H X S+ 0 0 53 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.876 111.0 54.1 -72.6 -39.6 4.3 28.8 40.5 22 22 A A H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 6,-0.8 0.879 111.6 45.6 -56.4 -41.2 6.5 29.1 37.4 23 23 A I H ><5S+ 0 0 10 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.934 115.5 44.2 -73.2 -46.5 3.5 28.6 35.2 24 24 A E H 3<5S+ 0 0 66 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.912 111.6 54.0 -56.7 -48.7 1.2 31.0 37.1 25 25 A R T 3<5S- 0 0 111 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.591 113.8-129.3 -60.4 -11.8 4.2 33.5 37.2 26 26 A G T < 5S+ 0 0 60 -3,-0.7 -3,-0.2 2,-0.2 -2,-0.1 0.769 77.7 117.0 64.3 28.5 4.1 32.9 33.4 27 27 A I S + 0 0 95 680,-0.1 3,-1.3 681,-0.1 6,-0.2 0.117 59.8 146.3-111.1 28.2 2.7 24.0 30.1 31 31 A I T 3 + 0 0 20 1,-0.2 680,-0.4 678,-0.2 608,-0.2 -0.349 63.6 27.9 -60.6 136.0 4.5 21.0 28.7 32 32 A G T 3 S+ 0 0 2 606,-2.3 2,-0.7 1,-0.3 -1,-0.2 0.258 83.6 123.7 103.7 -5.1 3.7 17.8 30.5 33 33 A L < - 0 0 0 -3,-1.3 3,-0.5 605,-0.3 -1,-0.3 -0.768 42.2-166.9 -92.6 114.8 0.2 18.6 31.7 34 34 A V S > S+ 0 0 0 -2,-0.7 3,-2.1 1,-0.2 6,-0.2 0.919 89.5 59.3 -63.9 -37.6 -2.3 16.1 30.5 35 35 A S T 3 S+ 0 0 2 1,-0.3 -1,-0.2 -3,-0.1 8,-0.2 0.680 96.8 60.4 -71.0 -17.5 -5.1 18.4 31.5 36 36 A E T 3 S+ 0 0 57 -3,-0.5 -1,-0.3 -6,-0.2 -2,-0.2 0.356 80.4 115.3 -86.6 2.9 -3.8 21.2 29.2 37 37 A L S X S- 0 0 21 -3,-2.1 3,-1.9 1,-0.1 4,-0.1 -0.436 81.5-109.0 -68.5 148.9 -4.3 18.9 26.1 38 38 A P G > S+ 0 0 93 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.864 111.3 67.3 -44.2 -48.1 -7.0 20.0 23.6 39 39 A H G 3 S+ 0 0 67 1,-0.3 -4,-0.1 3,-0.0 -3,-0.0 0.735 100.7 51.7 -54.1 -17.8 -9.6 17.3 24.4 40 40 A F G X S+ 0 0 1 -3,-1.9 3,-3.2 -6,-0.2 -1,-0.3 0.276 70.9 151.4-104.0 12.0 -10.1 18.9 27.8 41 41 A E T < S+ 0 0 145 -3,-2.6 -5,-0.1 1,-0.3 -4,-0.0 -0.217 72.9 30.4 -49.9 114.9 -10.7 22.5 26.7 42 42 A G T >> S+ 0 0 21 5,-0.1 3,-2.1 350,-0.0 4,-0.7 0.178 75.5 121.9 114.8 -15.1 -13.0 23.8 29.4 43 43 A I H <> S+ 0 0 2 -3,-3.2 4,-1.0 1,-0.3 3,-0.4 0.756 72.8 62.3 -45.6 -24.5 -11.6 21.8 32.3 44 44 A E H 34 S+ 0 0 79 2,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.587 80.1 73.3 -92.7 -9.2 -10.9 25.1 34.0 45 45 A K H <4 S+ 0 0 186 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.862 120.3 24.2 -58.0 -31.8 -14.4 26.5 34.2 46 46 A Y H < S+ 0 0 74 -4,-0.7 -2,-0.3 -3,-0.4 -1,-0.2 0.643 143.6 19.8-103.7 -21.2 -14.4 23.8 36.9 47 47 A A S < S- 0 0 0 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 -0.532 72.9-164.5-154.0 71.3 -10.7 23.6 37.7 48 48 A P - 0 0 58 0, 0.0 2,-1.8 0, 0.0 -3,-0.0 -0.214 40.6-100.8 -60.0 155.7 -8.6 26.6 36.7 49 49 A F S S+ 0 0 25 2,-0.0 2,-0.3 -26,-0.0 -5,-0.0 -0.649 82.6 125.8 -73.1 86.7 -4.8 26.1 36.7 50 50 A S - 0 0 48 -2,-1.8 2,-0.4 2,-0.0 -29,-0.1 -0.943 38.5-171.5-151.8 117.4 -4.5 27.8 40.0 51 51 A F - 0 0 6 -2,-0.3 2,-0.4 -31,-0.1 -49,-0.2 -0.950 19.1-177.7-131.9 134.0 -2.8 26.2 43.1 52 52 A E E -a 2 0A 101 -51,-1.9 -49,-2.9 -2,-0.4 2,-0.3 -0.987 25.4-145.3-122.8 136.7 -2.2 26.7 46.8 53 53 A F E +a 3 0A 18 -2,-0.4 2,-0.3 -51,-0.2 -49,-0.2 -0.783 30.1 145.5-113.6 145.2 -0.1 24.3 48.7 54 54 A G E +a 4 0A 5 -51,-1.5 -49,-2.6 -2,-0.3 2,-0.3 -0.880 21.6 150.8-147.8 176.2 0.0 22.8 52.2 55 55 A G E -a 5 0A 0 39,-0.5 41,-3.6 -51,-0.3 2,-0.4 -0.981 38.4 -82.7 173.5 180.0 1.0 19.4 53.5 56 56 A H E +ac 6 96A 0 -51,-1.8 -49,-2.6 -2,-0.3 -48,-1.8 -0.871 39.7 164.4-106.5 140.3 2.3 16.8 55.9 57 57 A E E - c 0 97A 17 39,-1.3 41,-2.2 -2,-0.4 -2,-0.0 -0.972 33.4-162.8-144.5 162.1 5.9 15.9 56.4 58 58 A I S S+ 0 0 18 -2,-0.3 56,-2.2 39,-0.2 -1,-0.1 0.531 70.5 92.4-111.6 -22.5 8.2 14.1 58.8 59 59 A R B S-G 113 0B 22 54,-0.2 2,-1.0 1,-0.1 54,-0.2 -0.403 78.8-123.2 -71.2 148.3 11.4 15.7 57.7 60 60 A L + 0 0 96 52,-1.2 2,-0.3 -2,-0.1 52,-0.1 -0.842 53.7 138.8 -93.5 98.6 12.6 18.8 59.5 61 61 A L - 0 0 46 -2,-1.0 34,-0.2 1,-0.1 3,-0.1 -0.974 57.0-122.4-131.8 148.1 13.1 21.5 56.9 62 62 A S S S- 0 0 89 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.931 79.5 -28.4 -49.5 -57.1 12.1 25.1 57.5 63 63 A N S > S- 0 0 22 31,-0.1 4,-1.8 -3,-0.1 31,-0.2 -0.893 74.7 -75.4-156.4 177.8 9.7 25.4 54.5 64 64 A A H > S+ 0 0 0 29,-3.0 4,-2.1 26,-0.7 27,-0.2 0.688 123.0 54.6 -61.3 -21.7 8.8 24.2 51.1 65 65 A Y H > S+ 0 0 12 25,-0.4 4,-2.8 2,-0.2 5,-0.3 0.903 102.4 53.1 -81.7 -44.4 11.7 26.2 49.5 66 66 A E H > S+ 0 0 65 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.963 113.8 46.8 -52.9 -43.6 14.4 24.8 51.6 67 67 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.954 111.7 48.1 -60.3 -54.3 13.2 21.4 50.5 68 68 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.946 114.5 47.4 -53.2 -52.6 12.9 22.2 46.8 69 69 A K H X S+ 0 0 69 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.911 107.1 55.5 -56.3 -50.2 16.4 23.8 46.8 70 70 A E H X S+ 0 0 65 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.924 113.7 41.5 -50.5 -46.1 17.9 20.8 48.7 71 71 A H H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 5,-0.3 0.925 113.6 53.7 -65.8 -44.3 16.6 18.5 45.9 72 72 A W H >X S+ 0 0 8 -4,-3.0 4,-3.2 -5,-0.2 3,-0.7 0.882 101.5 58.6 -56.4 -46.3 17.6 20.9 43.2 73 73 A E H 3< S+ 0 0 88 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.930 114.0 38.8 -45.6 -52.2 21.2 21.1 44.5 74 74 A L H 3< S+ 0 0 107 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.560 130.9 24.3 -80.2 -16.1 21.5 17.4 44.0 75 75 A N H << S- 0 0 20 -4,-1.1 -3,-0.2 -3,-0.7 -2,-0.2 0.683 71.2-154.2-123.5 -31.8 19.5 17.0 40.8 76 76 A R < + 0 0 79 -4,-3.2 -4,-0.1 -5,-0.3 -3,-0.1 0.846 37.0 156.1 50.4 41.0 19.5 20.3 38.8 77 77 A H + 0 0 1 -6,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.774 61.2 21.2 -74.3 -27.3 16.3 19.1 37.2 78 78 A F S S- 0 0 15 635,-0.1 2,-0.1 -6,-0.1 634,-0.1 -0.737 104.1 -65.0-127.0-176.5 15.0 22.6 36.4 79 79 A D >> - 0 0 52 -2,-0.2 4,-1.5 632,-0.2 3,-0.9 -0.401 31.0-133.5 -75.1 139.2 16.7 26.0 35.9 80 80 A R H 3> S+ 0 0 46 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.800 109.4 56.9 -59.4 -28.0 18.4 27.8 38.9 81 81 A E H 3> S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.764 99.6 55.6 -74.1 -32.3 16.5 30.9 37.7 82 82 A I H <> S+ 0 0 23 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.899 107.5 52.2 -63.1 -41.0 13.1 29.2 38.1 83 83 A L H < S+ 0 0 6 -4,-1.5 4,-0.4 1,-0.2 3,-0.3 0.921 110.3 44.6 -66.4 -48.1 14.1 28.5 41.7 84 84 A E H >< S+ 0 0 114 -4,-1.6 3,-1.3 1,-0.2 4,-0.4 0.912 110.4 57.8 -57.8 -45.1 15.0 32.1 42.6 85 85 A A H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.820 116.8 31.8 -56.9 -33.9 11.8 33.3 40.8 86 86 A V T 3X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.3 0.238 88.4 107.2-108.4 7.9 9.5 31.2 43.0 87 87 A K H <> S+ 0 0 86 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.1 0.864 80.4 46.2 -59.4 -44.8 11.5 31.2 46.2 88 88 A S H > S+ 0 0 84 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.899 110.7 53.4 -72.8 -39.5 9.3 33.5 48.1 89 89 A D H 4 S+ 0 0 29 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.890 113.4 44.3 -54.3 -45.2 6.1 31.6 47.1 90 90 A L H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 -26,-0.7 0.822 103.0 64.0 -76.8 -29.5 7.6 28.4 48.3 91 91 A E H 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.789 94.8 61.4 -62.5 -29.1 8.9 29.9 51.5 92 92 A G T 3< S+ 0 0 71 -4,-1.1 2,-0.8 -3,-0.3 -1,-0.3 0.379 86.0 91.6 -75.0 4.6 5.3 30.6 52.6 93 93 A I < + 0 0 17 -3,-1.5 -29,-3.0 -39,-0.1 2,-0.5 -0.853 54.1 177.4-110.7 98.1 4.6 26.9 52.5 94 94 A V - 0 0 88 -2,-0.8 -39,-0.5 -31,-0.2 2,-0.3 -0.905 25.2-134.0-101.2 123.5 5.2 25.3 55.8 95 95 A A - 0 0 18 -2,-0.5 2,-0.3 -34,-0.2 -39,-0.2 -0.581 17.2-130.9 -71.7 135.2 4.4 21.5 56.0 96 96 A R E -c 56 0A 110 -41,-3.6 -39,-1.3 -2,-0.3 2,-0.3 -0.743 35.4 -99.6 -87.6 141.9 2.4 20.5 59.1 97 97 A K E +c 57 0A 38 -2,-0.3 -39,-0.2 -41,-0.2 18,-0.1 -0.440 49.7 175.0 -79.5 127.9 4.0 17.5 60.9 98 98 A G - 0 0 0 -41,-2.2 18,-1.7 -2,-0.3 2,-0.4 0.137 26.6 -67.0-111.8-148.2 2.5 14.0 60.2 99 99 A T - 0 0 3 16,-0.2 86,-0.1 17,-0.1 -1,-0.1 -0.925 13.9-171.0-123.7 138.9 2.9 10.2 60.9 100 100 A A > + 0 0 12 -2,-0.4 3,-1.3 -42,-0.1 4,-0.2 0.079 32.9 161.8-108.0 25.8 5.4 7.6 60.0 101 101 A L T 3 - 0 0 15 1,-0.3 80,-1.4 2,-0.1 81,-0.2 -0.203 69.7 -16.2 -58.0 116.0 3.4 4.6 61.3 102 102 A N T 3 S+ 0 0 59 78,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.879 85.9 132.2 55.0 42.6 4.5 1.2 59.9 103 103 A C < - 0 0 11 -3,-1.3 3,-0.4 1,-0.2 -2,-0.1 0.217 58.2-152.9 -98.5 7.2 6.5 2.6 56.9 104 104 A G > - 0 0 42 1,-0.2 3,-0.8 -4,-0.2 4,-0.2 0.099 40.6 -19.6 69.6-164.6 9.2 0.2 58.1 105 105 A S G > S+ 0 0 62 1,-0.3 3,-1.5 2,-0.1 2,-0.5 0.779 120.0 73.9 -51.0 -35.7 13.0 -0.0 57.9 106 106 A G G 3 S+ 0 0 5 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.050 80.1 71.4 -75.5 27.5 13.1 2.5 55.0 107 107 A I G X S+ 0 0 18 -3,-0.8 3,-0.7 -2,-0.5 4,-0.4 0.557 81.5 70.1-114.5 -18.7 12.3 5.5 57.2 108 108 A K G X S+ 0 0 192 -3,-1.5 3,-0.5 -4,-0.2 -2,-0.2 0.775 92.7 64.1 -59.1 -26.8 15.8 5.5 58.9 109 109 A E G 3 S+ 0 0 95 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.777 84.3 72.8 -69.2 -28.4 17.0 6.7 55.5 110 110 A L G < S- 0 0 19 -3,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.769 94.7-128.5 -66.9 -29.0 15.2 10.0 55.4 111 111 A G < + 0 0 47 -3,-0.5 2,-0.8 -4,-0.4 -1,-0.2 -0.937 69.1 11.4 120.6-147.3 17.3 11.9 58.0 112 112 A D S S- 0 0 129 -2,-0.4 -52,-1.2 -52,-0.1 2,-0.4 -0.617 77.1-177.8 -69.9 106.4 16.2 13.8 61.1 113 113 A I B -G 59 0B 62 -2,-0.8 2,-0.4 -54,-0.2 -54,-0.2 -0.930 18.7-173.0-115.9 137.0 12.5 12.8 61.4 114 114 A K - 0 0 143 -56,-2.2 2,-0.2 -2,-0.4 -16,-0.2 -0.983 17.1-178.2-119.5 137.1 9.9 13.9 63.9 115 115 A T - 0 0 17 -2,-0.4 4,-0.3 -18,-0.1 -16,-0.2 -0.782 39.6-112.2-129.4 175.3 6.4 12.3 64.0 116 116 A L S > S+ 0 0 0 -18,-1.7 3,-1.3 -2,-0.2 5,-0.5 0.900 120.2 46.9 -73.8 -42.7 3.0 12.4 65.7 117 117 A E G > S+ 0 0 40 1,-0.3 3,-2.4 3,-0.2 -1,-0.2 0.770 98.0 74.8 -71.8 -23.5 3.5 9.0 67.4 118 118 A G G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.770 89.8 57.1 -50.6 -30.4 6.9 10.3 68.3 119 119 A E G < S- 0 0 90 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.286 125.3-108.5 -83.1 10.1 4.9 12.4 70.9 120 120 A G < + 0 0 66 -3,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.943 64.7 164.4 57.4 52.5 3.6 9.1 72.3 121 121 A L - 0 0 29 -5,-0.5 2,-0.2 -4,-0.1 -1,-0.2 -0.626 35.6-117.0 -99.1 159.2 0.1 9.8 70.8 122 122 A S > - 0 0 28 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.576 28.1-110.1 -90.0 155.8 -2.8 7.5 70.3 123 123 A L H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.848 118.6 60.5 -47.8 -34.3 -4.4 6.6 66.9 124 124 A A H > S+ 0 0 46 47,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.980 112.8 32.3 -60.3 -56.3 -7.4 8.6 68.1 125 125 A E H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.669 111.4 61.7 -82.2 -20.0 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-0.972 20.3-138.5-122.0 136.1 -2.7 13.8 47.1 146 146 A N E +bd 6 198A 2 51,-3.2 53,-2.7 -2,-0.4 54,-0.3 -0.869 36.1 151.9 -94.1 118.5 -0.3 11.2 48.5 147 147 A V + 0 0 21 -141,-2.3 -134,-0.3 -2,-0.6 -135,-0.2 -0.023 34.0 131.8-127.4 30.8 3.3 11.4 47.3 148 148 A A - 0 0 25 1,-0.2 54,-0.2 -138,-0.1 3,-0.1 -0.314 68.9 -70.3 -79.5 161.9 5.0 10.0 50.4 149 149 A S - 0 0 31 1,-0.1 2,-0.2 51,-0.1 -1,-0.2 -0.137 63.4 -92.9 -48.1 146.9 7.6 7.3 50.5 150 150 A T - 0 0 8 -3,-0.1 -1,-0.1 1,-0.1 -44,-0.1 -0.452 40.5-136.0 -69.0 131.4 6.4 3.8 49.6 151 151 A E - 0 0 4 -2,-0.2 -48,-0.2 -3,-0.1 -1,-0.1 -0.389 18.3-108.9 -78.1 160.4 5.3 1.7 52.6 152 152 A P - 0 0 26 0, 0.0 118,-0.1 0, 0.0 -1,-0.1 -0.253 66.0 -57.3 -71.2 178.1 6.2 -2.0 53.1 153 153 A L - 0 0 102 116,-0.5 3,-0.1 1,-0.1 49,-0.1 -0.362 68.7-109.6 -58.0 135.2 3.3 -4.5 52.8 154 154 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.310 35.3 -97.6 -62.0 153.3 0.5 -3.5 55.2 155 155 A N - 0 0 85 22,-0.2 2,-0.6 24,-0.2 25,-0.0 -0.584 46.9-111.3 -67.3 133.9 -0.0 -5.7 58.2 156 156 A Y + 0 0 196 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.631 50.6 153.6 -75.7 110.7 -3.0 -8.0 57.3 157 157 A S > - 0 0 16 -2,-0.6 4,-2.0 21,-0.1 5,-0.3 -0.841 18.6-176.1-133.1 104.0 -6.2 -7.4 59.3 158 158 A E H > S+ 0 0 118 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.912 88.5 50.8 -61.6 -42.8 -9.4 -8.5 57.6 159 159 A E H > S+ 0 0 93 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.951 115.3 40.5 -54.8 -53.3 -11.5 -7.1 60.4 160 160 A Y H 4 S+ 0 0 20 1,-0.2 -2,-0.2 6,-0.2 -1,-0.2 0.659 127.6 30.3 -79.2 -20.1 -9.8 -3.7 60.5 161 161 A H H < S+ 0 0 19 -4,-2.0 48,-2.3 5,-0.1 49,-0.2 0.418 104.6 75.7-115.5 -5.0 -9.5 -3.1 56.7 162 162 A G H < S+ 0 0 21 -4,-1.6 2,-0.3 -5,-0.3 -2,-0.2 0.796 105.7 11.4 -72.8 -29.7 -12.5 -5.0 55.6 163 163 A S X - 0 0 24 -4,-0.7 4,-3.1 -5,-0.2 5,-0.2 -0.985 69.3-112.4-154.0 155.1 -15.1 -2.4 56.7 164 164 A L H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.960 119.6 47.8 -53.7 -55.8 -15.6 1.2 57.9 165 165 A E H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 112.5 51.6 -45.8 -49.0 -16.7 0.1 61.4 166 166 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.971 111.8 45.5 -54.4 -60.1 -13.7 -2.2 61.5 167 167 A F H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.3 -2,-0.2 0.833 113.8 46.8 -52.6 -44.5 -11.3 0.6 60.6 168 168 A E H X S+ 0 0 47 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.3 0.781 109.3 56.4 -77.3 -20.3 -12.7 3.1 63.0 169 169 A R H X S+ 0 0 71 -4,-2.0 4,-3.1 -3,-0.5 -2,-0.2 0.962 102.6 54.9 -68.6 -49.8 -12.7 0.4 65.7 170 170 A M H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.881 112.8 44.8 -42.5 -47.6 -8.9 0.0 64.9 171 171 A I H ><5S+ 0 0 9 -4,-1.7 3,-2.8 2,-0.2 -47,-0.4 0.989 112.6 45.9 -66.2 -63.1 -8.7 3.8 65.7 172 172 A D H 3<5S+ 0 0 131 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.873 117.4 48.9 -46.6 -37.4 -10.8 4.0 68.8 173 173 A E T 3<5S- 0 0 104 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.361 108.4-126.9 -91.5 3.8 -8.9 0.9 70.0 174 174 A D T < 5 + 0 0 64 -3,-2.8 2,-2.7 1,-0.2 3,-0.2 0.774 41.5 170.2 57.9 36.5 -5.4 2.3 69.2 175 175 A R > < + 0 0 80 -5,-2.7 3,-2.7 1,-0.2 4,-0.4 -0.330 4.3 164.5 -74.2 60.4 -4.4 -0.7 67.1 176 176 A K G > + 0 0 54 -2,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.808 66.0 70.4 -53.5 -36.0 -1.3 1.1 65.9 177 177 A E G 3 S+ 0 0 99 -3,-0.2 -1,-0.3 1,-0.2 -22,-0.2 0.727 103.1 42.0 -45.1 -31.8 0.0 -2.3 64.7 178 178 A Y G < S+ 0 0 54 -3,-2.7 -1,-0.2 -8,-0.1 2,-0.2 0.392 102.9 70.6-109.1 -2.5 -2.6 -2.4 61.9 179 179 A A < - 0 0 1 -3,-1.3 2,-0.3 -4,-0.4 -24,-0.2 -0.616 56.6-168.2-101.7 169.7 -2.6 1.1 60.5 180 180 A S > - 0 0 3 -2,-0.2 4,-1.9 24,-0.1 -78,-0.2 -0.926 39.6 -97.2-145.3 174.3 -0.0 2.9 58.5 181 181 A A H > S+ 0 0 3 -80,-1.4 4,-2.3 -2,-0.3 5,-0.3 0.896 118.1 55.6 -63.2 -39.9 0.4 6.5 57.5 182 182 A S H > S+ 0 0 1 1,-0.2 4,-2.4 -81,-0.2 5,-0.2 0.973 109.5 46.6 -56.4 -55.7 -1.1 6.1 54.0 183 183 A M H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.852 111.9 51.8 -51.0 -45.3 -4.4 4.7 55.4 184 184 A L H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.947 112.4 42.1 -62.8 -53.6 -4.5 7.4 58.2 185 185 A Y H X S+ 0 0 11 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.839 116.3 51.3 -58.7 -38.0 -4.2 10.5 55.9 186 186 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.942 112.1 45.2 -65.7 -47.8 -6.5 8.9 53.3 187 187 A Y H X S+ 0 0 14 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.938 112.4 53.2 -53.4 -51.4 -9.1 8.2 56.0 188 188 A A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.871 109.7 47.7 -56.1 -44.2 -8.6 11.7 57.3 189 189 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.913 113.5 45.4 -60.5 -49.9 -9.2 13.2 53.8 190 190 A L H <5S+ 0 0 0 -4,-2.2 3,-0.2 3,-0.2 -2,-0.2 0.750 108.7 57.7 -72.4 -28.2 -12.4 11.3 53.0 191 191 A K H <5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 108.4 45.7 -63.9 -44.5 -13.7 12.0 56.5 192 192 A L T <5S- 0 0 51 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.471 119.8-117.6 -76.2 -3.7 -13.4 15.8 55.8 193 193 A G T 5 + 0 0 19 1,-0.3 -3,-0.2 -3,-0.2 -2,-0.1 0.601 65.4 142.4 78.5 12.2 -15.0 15.0 52.4 194 194 A L < - 0 0 9 -5,-2.4 -1,-0.3 -6,-0.2 -51,-0.1 -0.630 58.5-103.9 -82.4 142.5 -12.1 16.1 50.2 195 195 A P - 0 0 0 0, 0.0 -51,-2.2 0, 0.0 2,-0.3 -0.373 41.5-150.4 -56.6 144.5 -11.2 14.2 47.1 196 196 A Y E -de 144 221A 0 24,-1.2 26,-2.2 -53,-0.2 2,-0.3 -0.921 18.0-178.3-125.2 146.4 -8.2 11.9 47.5 197 197 A A E -de 145 222A 1 -53,-1.8 -51,-3.2 -2,-0.3 2,-0.6 -0.986 12.8-153.6-144.5 141.3 -5.5 10.5 45.2 198 198 A N E +de 146 223A 0 24,-1.9 27,-1.6 -2,-0.3 26,-0.6 -0.895 12.3 178.1-118.1 109.4 -2.6 8.1 45.9 199 199 A F + 0 0 19 -53,-2.7 27,-2.1 -2,-0.6 -52,-0.1 0.513 65.3 71.7 -88.7 -1.2 0.5 8.4 43.7 200 200 A T S S- 0 0 10 25,-0.3 25,-0.7 -54,-0.3 24,-0.3 -0.595 88.0-116.4-111.2 165.1 2.4 5.7 45.6 201 201 A P S S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -51,-0.1 0.651 78.0 119.4 -77.0 -19.6 2.0 1.9 45.8 202 202 A S S S- 0 0 0 -54,-0.2 3,-0.2 1,-0.1 4,-0.2 -0.131 80.6-112.9 -36.6 137.5 1.1 2.3 49.5 203 203 A P > + 0 0 19 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.868 61.1 150.7 -47.8 -47.5 -2.4 0.9 50.3 204 204 A G T 3 S- 0 0 0 1,-0.3 3,-0.4 2,-0.1 6,-0.1 -0.295 77.1 -10.9 52.1-117.8 -3.8 4.5 51.1 205 205 A S T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -3,-0.2 9,-0.1 0.381 112.8 94.1 -91.8 -1.1 -7.5 4.5 50.3 206 206 A A < 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3<5S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.704 116.3 39.2 -26.5 -40.9 -20.7 6.8 52.0 217 217 A K H 3<5S- 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.441 109.0-120.7-102.8 -3.0 -19.5 10.4 51.9 218 218 A G T <<5 + 0 0 39 -3,-4.0 -3,-0.2 -4,-0.6 -2,-0.1 0.765 61.6 148.2 69.0 27.6 -19.9 11.0 48.1 219 219 A V < - 0 0 4 -5,-2.5 138,-2.6 -6,-0.2 -1,-0.2 -0.784 42.8-134.7 -97.6 131.3 -16.2 11.8 47.7 220 220 A P E - f 0 357A 1 0, 0.0 -24,-1.2 0, 0.0 2,-0.3 -0.570 28.1-179.5 -78.1 148.9 -14.4 10.9 44.4 221 221 A H E -ef 196 358A 0 136,-3.2 138,-2.7 -26,-0.2 2,-0.3 -0.998 10.2-162.2-152.2 153.2 -10.9 9.3 44.6 222 222 A A E -e 197 0A 1 -26,-2.2 -24,-1.9 -2,-0.3 2,-0.3 -0.911 22.8 -10.2-134.4 158.2 -8.1 7.9 42.4 223 223 A G E -e 198 0A 5 -2,-0.3 147,-2.9 136,-0.2 143,-0.1 -0.925 25.0-120.7 152.0-173.3 -5.0 5.7 42.3 224 224 A N S S- 0 0 12 -26,-0.6 144,-2.1 -24,-0.3 143,-0.6 0.598 75.5 -21.5-119.5 156.7 -2.7 4.0 42.8 225 225 A D S S- 0 0 8 -27,-1.6 142,-3.1 -25,-0.7 143,-0.4 0.956 73.1-101.5 77.8 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236 236 A T H << S+ 0 0 0 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.774 120.4 35.6 -98.1 -37.8 2.2 1.5 25.5 237 237 A L H >X S+ 0 0 0 -4,-2.8 3,-1.1 -5,-0.2 4,-0.5 0.787 101.2 68.6 -94.8 -36.0 4.4 -0.9 23.7 238 238 A A H >X S+ 0 0 0 -4,-2.8 3,-1.5 -5,-0.3 4,-0.8 0.870 91.7 62.3 -55.0 -41.4 3.2 -4.4 24.8 239 239 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.749 89.6 70.9 -60.3 -22.4 -0.2 -4.1 22.9 240 240 A M H <> S+ 0 0 1 -3,-1.1 4,-1.0 1,-0.2 -2,-0.2 0.855 97.8 49.0 -58.0 -35.7 1.8 -3.8 19.6 241 241 A F H <<>S+ 0 0 0 -3,-1.5 5,-2.4 -4,-0.5 -1,-0.2 0.765 111.4 50.6 -73.4 -26.4 2.7 -7.6 20.1 242 242 A A H ><5S+ 0 0 24 -4,-0.8 3,-1.6 3,-0.2 -2,-0.2 0.928 108.0 50.7 -73.3 -43.9 -0.9 -8.3 20.7 243 243 A Y H 3<5S+ 0 0 12 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.746 113.4 47.1 -66.2 -24.4 -2.1 -6.4 17.6 244 244 A R T 3<5S- 0 0 5 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.215 111.1-117.3-106.7 13.2 0.4 -8.3 15.5 245 245 A N T < 5 + 0 0 40 -3,-1.6 180,-3.1 1,-0.2 181,-0.4 0.784 64.5 145.4 53.9 35.8 -0.4 -11.8 16.8 246 246 A M < - 0 0 13 -5,-2.4 2,-0.6 178,-0.2 -1,-0.2 -0.658 46.5-126.4-100.5 159.2 3.0 -12.3 18.2 247 247 A E E -I 315 0D 71 68,-1.9 68,-3.4 -2,-0.2 2,-0.6 -0.907 9.0-147.5-110.1 120.1 4.1 -14.1 21.3 248 248 A V E -I 314 0D 1 -2,-0.6 66,-0.3 66,-0.2 3,-0.1 -0.730 15.5-178.0 -75.7 121.2 6.2 -12.5 24.0 249 249 A V E - 0 0 24 64,-2.3 42,-0.6 -2,-0.6 838,-0.3 0.594 67.1 -0.8-100.2 -9.4 8.3 -15.3 25.5 250 250 A G E -Ij 313 291D 0 63,-1.2 63,-2.1 40,-0.2 2,-0.4 -0.874 56.7-159.8-171.7 141.3 10.0 -13.1 28.1 251 251 A W E -Ij 312 292D 0 40,-2.3 42,-2.0 -2,-0.2 2,-0.5 -0.991 8.5-166.4-131.0 128.3 10.1 -9.5 29.3 252 252 A M E +Ij 311 293D 0 59,-1.8 59,-1.7 -2,-0.4 2,-0.5 -0.960 7.5 178.6-113.8 129.2 12.9 -7.9 31.3 253 253 A S E +Ij 310 294D 3 40,-2.4 42,-2.6 -2,-0.5 2,-0.5 -0.988 5.2 173.9-125.5 118.7 12.7 -4.5 33.1 254 254 A Y E -Ij 309 295D 1 55,-2.6 55,-3.2 -2,-0.5 2,-0.4 -0.972 6.5-178.0-127.1 113.1 15.7 -3.5 35.0 255 255 A A E -Ij 308 296D 6 40,-2.5 42,-2.2 -2,-0.5 2,-0.4 -0.941 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636 243 B Y H 3<5S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.708 111.9 41.0 -69.7 -20.2 -0.9 11.5 25.5 637 244 B R T 3<5S- 0 0 8 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.119 110.4-119.1-117.4 13.9 1.3 13.1 28.1 638 245 B N T < 5 + 0 0 45 -3,-1.3 -606,-2.3 1,-0.2 -605,-0.3 0.787 61.2 150.3 53.7 33.7 1.7 16.4 26.4 639 246 B M < - 0 0 13 -5,-2.4 2,-0.6 -608,-0.2 70,-0.2 -0.600 44.3-124.6 -89.3 156.0 5.4 16.1 26.1 640 247 B E E -M 708 0D 76 68,-2.5 68,-3.5 -2,-0.2 2,-0.8 -0.908 8.9-144.5-110.6 121.5 7.2 17.7 23.2 641 248 B V E +M 707 0D 1 -2,-0.6 66,-0.3 66,-0.3 3,-0.1 -0.730 18.0 179.2 -77.8 114.7 9.4 15.7 21.0 642 249 B V E + 0 0 29 64,-0.9 42,-1.1 -2,-0.8 2,-0.3 0.729 69.1 0.3 -84.5 -23.1 12.3 18.0 20.1 643 250 B G E -Mn 706 684D 0 63,-1.6 63,-3.1 40,-0.2 2,-0.4 -0.963 52.5-169.3-167.9 144.9 13.9 15.3 18.0 644 251 B W E -Mn 705 685D 0 40,-2.3 42,-2.2 -2,-0.3 2,-0.4 -0.997 9.6-167.7-135.7 131.3 13.7 11.7 16.7 645 252 B M E -Mn 704 686D 0 59,-3.0 59,-2.2 -2,-0.4 2,-0.4 -0.989 4.6-176.0-117.5 135.6 16.3 9.5 14.9 646 253 B S E +Mn 703 687D 0 40,-2.8 42,-2.1 -2,-0.4 2,-0.5 -0.997 5.7 176.1-119.3 127.3 15.9 6.2 13.1 647 254 B Y E -Mn 702 688D 0 55,-2.9 55,-3.1 -2,-0.4 2,-0.4 -0.971 8.1-174.9-131.9 113.3 18.9 4.5 11.7 648 255 B A E -Mn 701 689D 2 40,-3.6 42,-2.0 -2,-0.5 2,-0.4 -0.859 6.7-167.1-110.1 143.1 18.4 1.1 10.1 649 256 B I E +Mn 700 690D 0 51,-2.7 51,-2.5 -2,-0.4 2,-0.3 -0.993 18.5 146.7-125.8 141.5 20.9 -1.3 8.7 650 257 B L E - n 0 691D 2 40,-1.6 42,-2.3 -2,-0.4 47,-0.2 -0.949 22.9-159.6-151.2 167.6 20.4 -4.4 6.6 651 258 B G > + 0 0 0 45,-2.8 4,-1.7 -2,-0.3 3,-0.2 -0.171 48.1 85.3-117.2-140.6 22.1 -6.5 3.8 652 259 B D H >> S- 0 0 13 41,-0.4 4,-2.0 2,-0.2 3,-0.8 0.262 101.7 -45.1 57.1 167.6 20.6 -8.9 1.3 653 260 B Y H 3> S+ 0 0 60 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.748 139.5 47.0 -33.0 -48.6 18.9 -8.0 -2.0 654 261 B D H 3> S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.895 109.5 50.7 -68.5 -48.1 16.9 -5.1 -0.6 655 262 B G H << S+ 0 0 1 -4,-1.7 4,-0.4 -3,-0.8 -1,-0.2 0.833 113.3 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24.3 1274 95 D A - 0 0 19 -2,-0.5 2,-0.3 -41,-0.2 -39,-0.2 -0.412 16.3-124.9 -76.3 152.0 41.0 37.3 21.0 1275 96 D R E -o 1235 0L 124 -41,-2.7 -39,-2.1 -2,-0.1 2,-0.1 -0.689 40.2 -84.2 -95.7 150.9 42.8 39.0 18.0 1276 97 D K E -o 1236 0L 64 -2,-0.3 -39,-0.2 -41,-0.2 18,-0.1 -0.304 53.8-164.3 -60.5 125.1 41.2 39.1 14.5 1277 98 D G - 0 0 0 -41,-3.6 18,-1.5 16,-0.4 2,-0.4 -0.069 17.2-107.0 -97.1-165.1 41.9 35.9 12.5 1278 99 D T - 0 0 3 16,-0.2 86,-0.1 17,-0.1 16,-0.1 -0.972 15.6-170.9-125.3 143.0 41.8 34.8 9.0 1279 100 D A > + 0 0 12 -2,-0.4 3,-1.3 81,-0.1 4,-0.2 0.031 27.7 162.1-117.0 22.0 39.1 32.4 7.5 1280 101 D L T 3 S- 0 0 17 1,-0.3 80,-2.2 2,-0.1 81,-0.2 -0.167 71.3 -4.6 -48.1 127.1 40.9 31.9 4.2 1281 102 D N T 3 S+ 0 0 73 78,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.854 87.0 138.1 55.3 43.3 39.5 28.8 2.3 1282 103 D C < - 0 0 16 -3,-1.3 3,-0.2 1,-0.3 -2,-0.1 0.432 55.6-131.1-102.0 -3.7 37.3 27.8 5.2 1283 104 D G > - 0 0 41 1,-0.2 3,-0.9 -4,-0.2 -1,-0.3 -0.192 33.9 -46.0 101.0-178.1 34.4 26.9 2.9 1284 105 D S G > S+ 0 0 86 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.870 120.4 67.6 -54.7 -42.8 30.7 27.4 2.5 1285 106 D G G > S+ 0 0 10 1,-0.3 3,-1.1 -3,-0.2 4,-0.2 0.492 70.5 89.7 -72.3 -4.9 29.9 26.7 6.2 1286 107 D I G X S+ 0 0 23 -3,-0.9 3,-1.5 1,-0.3 -1,-0.3 0.777 75.0 70.5 -66.3 -25.4 31.6 29.8 7.6 1287 108 D K G X S+ 0 0 169 -3,-1.4 3,-2.1 1,-0.2 -1,-0.3 0.936 86.7 68.7 -46.7 -45.1 28.3 31.8 7.2 1288 109 D E G < S+ 0 0 101 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.579 80.4 73.0 -67.0 -12.5 26.9 29.6 10.0 1289 110 D L G < S- 0 0 18 -3,-1.5 -1,-0.3 1,-0.3 2,-0.3 0.455 100.6-133.0 -71.4 0.1 29.2 31.2 12.7 1290 111 D G < + 0 0 46 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.3 -0.622 69.3 14.8 78.5-144.3 27.0 34.3 12.5 1291 112 D D S S- 0 0 131 -2,-0.3 -52,-1.7 -52,-0.1 2,-0.3 -0.469 75.1-177.3 -71.4 125.4 28.9 37.7 12.2 1292 113 D I B -S 1238 0M 63 -2,-0.3 2,-0.4 -54,-0.2 -54,-0.2 -0.876 19.4-163.1-125.1 157.7 32.6 37.4 11.2 1293 114 D K - 0 0 119 -56,-2.5 -16,-0.4 -2,-0.3 2,-0.3 -0.985 18.6-176.8-137.5 126.6 35.6 39.7 10.7 1294 115 D T - 0 0 20 -2,-0.4 4,-0.4 -18,-0.1 -16,-0.2 -0.785 38.8-125.2-126.3 164.2 38.7 38.6 8.8 1295 116 D L S > >S+ 0 0 0 -18,-1.5 5,-0.8 -2,-0.3 3,-0.7 0.828 118.6 51.2 -74.3 -37.0 42.2 39.9 7.9 1296 117 D E G > 5S+ 0 0 46 1,-0.2 3,-1.5 3,-0.2 -1,-0.2 0.817 101.8 65.1 -63.4 -30.3 41.4 39.1 4.2 1297 118 D G G 3 5S+ 0 0 62 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.718 96.0 55.1 -64.6 -22.8 38.2 41.2 4.9 1298 119 D E G < 5S- 0 0 85 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.461 121.8-111.3 -84.7 -6.2 40.4 44.2 5.4 1299 120 D G T < 5 + 0 0 62 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.955 60.4 159.0 76.9 53.6 41.9 43.6 2.0 1300 121 D L < - 0 0 36 -5,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.650 42.1-110.0-104.1 162.1 45.4 42.6 3.0 1301 122 D S > - 0 0 32 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.486 35.0-107.8 -76.1 160.4 48.0 40.6 1.1 1302 123 D L H > S+ 0 0 0 48,-0.2 4,-3.1 1,-0.2 5,-0.3 0.934 124.3 53.2 -48.7 -46.5 48.9 37.1 2.2 1303 124 D A H > S+ 0 0 39 47,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.888 109.3 48.6 -57.1 -39.8 52.2 38.5 3.4 1304 125 D E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 113.9 45.1 -70.1 -39.0 50.3 41.2 5.4 1305 126 D M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.907 114.1 47.7 -72.0 -44.2 48.0 38.7 7.0 1306 127 D V H X S+ 0 0 7 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.971 112.2 53.1 -60.5 -46.6 50.7 36.3 7.8 1307 128 D S H X S+ 0 0 45 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.824 109.1 47.0 -56.9 -43.5 52.6 39.2 9.2 1308 129 D R H X S+ 0 0 72 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.985 110.9 50.4 -62.0 -62.0 49.7 40.3 11.5 1309 130 D I H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.864 112.9 49.3 -40.6 -47.0 49.0 36.8 12.9 1310 131 D E H X S+ 0 0 41 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.942 111.3 47.5 -58.3 -51.6 52.8 36.6 13.6 1311 132 D E H X S+ 0 0 107 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.929 109.9 55.2 -53.3 -52.1 52.8 40.0 15.3 1312 133 D D H X S+ 0 0 12 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.884 114.1 37.7 -49.5 -52.2 49.8 39.1 17.4 1313 134 D I H >X S+ 0 0 1 -4,-1.9 4,-3.0 -5,-0.2 3,-0.6 0.885 113.8 55.5 -71.6 -39.4 51.3 35.9 18.7 1314 135 D K H 3< S+ 0 0 148 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 104.7 51.6 -67.3 -39.7 54.9 37.4 19.2 1315 136 D S H 3< S+ 0 0 100 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.746 119.8 39.9 -63.2 -23.7 53.8 40.3 21.3 1316 137 D F H << S+ 0 0 37 -3,-0.6 -2,-0.3 -4,-0.5 -1,-0.2 0.831 97.3 97.5 -89.9 -38.6 52.0 37.6 23.4 1317 138 D A < + 0 0 29 -4,-3.0 2,-0.2 2,-0.1 -135,-0.0 -0.228 41.1 173.3 -70.7 137.5 54.6 34.8 23.3 1318 139 D D > - 0 0 61 -137,-0.1 3,-0.8 0, 0.0 -1,-0.1 -0.487 56.7 -81.6-113.3-163.5 57.2 34.1 26.0 1319 140 D D T 3 S+ 0 0 126 1,-0.3 -2,-0.1 -2,-0.2 0, 0.0 0.449 127.9 56.0 -86.1 4.6 59.6 31.2 26.2 1320 141 D E T 3 S+ 0 0 56 2,-0.0 -139,-2.5 53,-0.0 2,-0.4 -0.150 82.1 125.6-124.0 37.6 56.8 29.0 27.6 1321 142 D T E < -n 1181 0L 0 -3,-0.8 2,-0.3 -141,-0.2 -139,-0.2 -0.815 33.5-177.2-106.4 137.4 54.2 29.5 24.8 1322 143 D V E -n 1182 0L 0 -141,-2.1 -139,-2.6 -2,-0.4 2,-0.5 -0.942 16.7-142.0-128.2 148.3 52.4 26.8 22.8 1323 144 D V E -np11831375L 1 51,-3.2 53,-2.3 -2,-0.3 2,-0.4 -0.956 19.8-177.2-113.4 130.9 50.0 27.3 19.9 1324 145 D I E -np11841376L 0 -141,-2.9 -139,-2.5 -2,-0.5 2,-0.5 -0.986 18.4-140.9-133.9 128.7 47.0 25.0 19.5 1325 146 D N E +np11851377L 3 51,-3.0 53,-1.9 -2,-0.4 54,-0.2 -0.727 33.9 151.5 -88.3 127.6 44.3 24.9 16.8 1326 147 D V + 0 0 23 -141,-2.6 -134,-0.3 -2,-0.5 -135,-0.2 -0.093 34.6 127.7-138.7 31.7 40.7 24.3 17.8 1327 148 D A S S- 0 0 31 1,-0.2 54,-0.2 -138,-0.0 3,-0.1 -0.510 71.9 -62.1 -91.5 160.6 38.9 26.1 15.1 1328 149 D S - 0 0 45 -2,-0.2 -1,-0.2 1,-0.1 51,-0.1 -0.055 64.4 -96.3 -37.5 129.5 36.2 24.8 12.8 1329 150 D T - 0 0 11 -3,-0.1 -1,-0.1 1,-0.1 123,-0.0 -0.317 42.1-140.6 -45.9 126.8 37.3 21.9 10.6 1330 151 D E - 0 0 9 1,-0.2 -48,-0.1 -3,-0.1 -47,-0.1 -0.413 24.1 -97.5 -83.4 168.2 38.2 23.2 7.1 1331 152 D P - 0 0 32 0, 0.0 -1,-0.2 0, 0.0 118,-0.1 -0.088 59.5 -69.7 -69.8-173.4 37.3 21.4 4.0 1332 153 D L S S- 0 0 112 1,-0.1 3,-0.1 49,-0.1 49,-0.1 -0.776 71.3-104.3 -79.8 124.8 39.9 19.1 2.3 1333 154 D P - 0 0 44 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.166 16.7-108.5 -62.4 158.5 42.5 21.6 1.0 1334 155 D N - 0 0 88 22,-0.2 2,-0.3 -53,-0.1 -2,-0.0 -0.601 53.3-147.3 -72.6 74.6 43.2 22.7 -2.6 1335 156 D Y - 0 0 136 -2,-2.1 2,-0.5 -3,-0.1 22,-0.0 -0.365 21.7-176.9 -69.6 119.8 46.4 20.6 -2.6 1336 157 D S > - 0 0 16 -2,-0.3 4,-2.0 21,-0.2 5,-0.4 -0.937 24.3-155.5-116.6 125.3 49.3 21.9 -4.6 1337 158 D E H > S+ 0 0 146 -2,-0.5 4,-1.7 3,-0.2 5,-0.2 0.930 97.8 49.8 -59.1 -46.9 52.6 20.2 -5.0 1338 159 D E H 4 S+ 0 0 81 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.943 120.6 30.6 -57.7 -54.0 54.4 23.5 -5.7 1339 160 D Y H 4 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.693 131.8 30.4 -89.8 -19.0 53.0 25.5 -2.7 1340 161 D H H < S+ 0 0 0 -4,-2.0 48,-1.9 5,-0.1 49,-0.3 0.527 103.2 75.1-113.8 -11.3 52.6 22.8 -0.1 1341 162 D G S < S+ 0 0 27 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.1 0.711 105.1 19.4 -75.9 -23.0 55.3 20.3 -1.1 1342 163 D S > - 0 0 35 -4,-0.4 4,-2.4 -5,-0.2 46,-0.3 -0.991 68.3-123.1-146.7 152.3 58.2 22.5 0.3 1343 164 D L H > S+ 0 0 22 -2,-0.3 4,-1.6 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2,-1.8 -4,-0.2 -3,-0.2 0.825 48.8 165.6 62.4 35.5 49.7 36.7 -2.3 1354 175 D R > < + 0 0 81 -5,-2.5 3,-1.7 -6,-0.2 4,-0.3 -0.458 3.2 167.4 -87.5 72.9 48.4 33.4 -3.8 1355 176 D K G > + 0 0 49 -2,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.766 62.3 71.8 -61.9 -35.0 45.4 33.0 -1.5 1356 177 D E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.2 -22,-0.2 0.711 101.5 48.5 -52.9 -23.1 43.6 30.3 -3.4 1357 178 D Y G < S+ 0 0 60 -3,-1.7 2,-0.3 -8,-0.1 -1,-0.3 0.575 98.2 80.0 -95.6 -13.0 46.3 27.9 -2.2 1358 179 D A < - 0 0 0 -3,-1.8 2,-0.4 -4,-0.3 3,-0.1 -0.706 55.8-163.1 -99.8 146.2 46.3 28.8 1.5 1359 180 D S >> - 0 0 4 -2,-0.3 4,-1.6 1,-0.1 3,-1.2 -0.977 32.7-115.6-120.5 143.9 44.0 27.6 4.1 1360 181 D A H 3> S+ 0 0 3 -80,-2.2 4,-2.3 -2,-0.4 3,-0.2 0.882 114.1 57.9 -40.0 -56.3 43.8 29.4 7.5 1361 182 D S H 3> S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.834 105.1 51.0 -49.0 -42.3 45.1 26.4 9.4 1362 183 D M H <> S+ 0 0 0 -3,-1.2 4,-3.2 2,-0.2 -1,-0.2 0.956 110.5 49.5 -56.5 -51.2 48.3 26.4 7.3 1363 184 D L H X S+ 0 0 1 -4,-1.6 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