==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-MAR-10 3M7W . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR G.MINASOV,S.H.LIGHT,L.SHUVALOVA,L.PAPAZISI,W.F.ANDERSON,CENT . 1507 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1148 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 247 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 108 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 512 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 13 0 0 0 0 0 0 6 5 14 11 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 17 5 5 20 6 6 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 . 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 0 0 0 6 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 K 0 0 142 0, 0.0 2,-0.3 0, 0.0 194,-0.0 0.000 360.0 360.0 360.0 155.2 -44.6 -31.1 11.7 2 3 A T - 0 0 51 195,-0.2 2,-0.5 196,-0.0 9,-0.2 -0.771 360.0-132.9-121.4 167.7 -48.2 -30.5 10.6 3 4 A V E -A 10 0A 11 7,-2.3 7,-3.2 -2,-0.3 2,-0.5 -0.985 17.3-155.4-124.6 123.1 -51.2 -32.4 9.3 4 5 A T E +A 9 0A 86 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.888 14.3 175.9-104.1 126.5 -53.1 -31.1 6.3 5 6 A V E > S-A 8 0A 8 3,-2.5 3,-2.8 -2,-0.5 106,-0.0 -0.993 72.6 -24.8-129.6 121.2 -56.8 -32.1 5.9 6 7 A R T 3 S- 0 0 118 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.877 127.4 -48.4 40.0 49.9 -58.8 -30.7 2.9 7 8 A D T 3 S+ 0 0 147 1,-0.2 2,-0.6 67,-0.1 -1,-0.3 0.469 112.3 121.8 75.1 1.3 -56.5 -27.6 2.7 8 9 A L E < -A 5 0A 31 -3,-2.8 -3,-2.5 34,-0.0 2,-0.9 -0.879 54.8-147.6 -96.5 124.1 -56.7 -27.0 6.5 9 10 A V E > -A 4 0A 34 -2,-0.6 3,-0.9 -5,-0.2 2,-0.4 -0.785 10.7-157.8 -98.4 102.6 -53.2 -27.0 8.0 10 11 A V E 3 S+A 3 0A 1 -7,-3.2 -7,-2.3 -2,-0.9 3,-0.1 -0.667 75.3 33.4 -83.0 131.3 -53.4 -28.3 11.5 11 12 A G T 3 S+ 0 0 42 210,-0.4 2,-0.3 -2,-0.4 -1,-0.2 0.472 101.5 90.0 103.1 11.7 -50.5 -27.3 13.8 12 13 A E S < S- 0 0 108 -3,-0.9 -1,-0.4 2,-0.2 296,-0.1 -0.974 85.5 -11.5-138.3 144.6 -49.9 -23.9 12.2 13 14 A G S S+ 0 0 33 -2,-0.3 3,-0.1 -3,-0.1 -2,-0.0 -0.280 114.3 0.0 65.9-147.6 -51.4 -20.5 13.0 14 15 A A S S- 0 0 17 1,-0.1 -2,-0.2 -4,-0.0 -3,-0.2 -0.416 90.4 -88.6 -76.2 149.4 -54.3 -20.3 15.4 15 16 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 207,-0.3 -0.283 49.1-114.3 -54.7 141.8 -55.8 -23.4 17.0 16 17 A K E -b 222 0B 32 205,-2.2 207,-2.5 -3,-0.1 2,-0.4 -0.606 22.5-125.2 -86.3 138.1 -58.5 -24.9 14.8 17 18 A I E -b 223 0B 0 -2,-0.3 26,-2.5 205,-0.2 25,-2.4 -0.713 25.4-172.0 -83.9 126.6 -62.1 -24.9 16.0 18 19 A I E -bc 224 43B 1 205,-2.2 207,-2.4 -2,-0.4 2,-0.4 -0.938 1.1-169.2-115.0 140.5 -63.9 -28.3 16.0 19 20 A V E -bc 225 44B 0 24,-1.6 26,-3.1 -2,-0.4 2,-0.5 -0.971 18.9-129.7-127.8 143.0 -67.6 -28.6 16.8 20 21 A S E - c 0 45B 3 205,-0.5 2,-0.5 -2,-0.4 207,-0.3 -0.826 10.8-148.1 -99.3 132.3 -69.4 -31.9 17.4 21 22 A L E - c 0 46B 0 24,-3.3 26,-2.4 -2,-0.5 2,-0.5 -0.871 15.4-174.4 -97.7 129.3 -72.5 -32.8 15.5 22 23 A M + 0 0 8 -2,-0.5 2,-0.4 24,-0.2 26,-0.1 -0.882 14.7 157.7-129.5 93.3 -74.8 -34.9 17.6 23 24 A G - 0 0 1 -2,-0.5 3,-0.1 24,-0.3 29,-0.0 -0.952 29.2-159.5-117.3 140.3 -77.9 -36.1 15.7 24 25 A K S S+ 0 0 124 -2,-0.4 28,-2.7 27,-0.2 29,-0.5 0.851 77.7 23.8 -84.4 -37.9 -79.9 -39.2 16.7 25 26 A T S > S- 0 0 62 26,-0.2 4,-3.0 27,-0.1 5,-0.2 -0.741 87.6-101.0-123.5 171.3 -81.5 -39.8 13.3 26 27 A I H > S+ 0 0 32 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.890 123.7 52.6 -58.6 -39.7 -80.8 -39.0 9.6 27 28 A T H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 111.5 44.2 -62.6 -44.8 -83.4 -36.2 9.9 28 29 A D H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.893 111.8 53.9 -68.2 -39.5 -81.7 -34.7 13.0 29 30 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.955 111.2 46.2 -59.5 -48.1 -78.3 -35.2 11.3 30 31 A K H X S+ 0 0 98 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.931 115.0 44.8 -59.8 -48.7 -79.5 -33.2 8.2 31 32 A S H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.888 114.6 49.0 -66.5 -37.7 -81.1 -30.4 10.2 32 33 A E H X S+ 0 0 33 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.943 110.9 50.2 -65.0 -46.1 -78.1 -30.1 12.5 33 34 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 -5,-0.3 -2,-0.2 0.931 111.6 48.3 -57.0 -49.5 -75.7 -30.0 9.6 34 35 A L H >< S+ 0 0 86 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.925 113.1 47.8 -57.2 -46.3 -77.7 -27.3 7.9 35 36 A A H >< S+ 0 0 37 -4,-2.3 3,-1.1 1,-0.2 4,-0.3 0.814 104.4 61.2 -65.3 -32.5 -77.8 -25.3 11.1 36 37 A Y H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.690 83.8 78.6 -69.9 -18.3 -74.1 -25.7 11.6 37 38 A R T << S+ 0 0 153 -3,-0.9 -1,-0.2 -4,-0.9 -2,-0.2 0.749 88.1 59.3 -62.2 -22.6 -73.2 -23.9 8.3 38 39 A E T < S+ 0 0 174 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.796 90.7 87.3 -75.2 -28.5 -73.9 -20.6 10.1 39 40 A A S < S- 0 0 17 -3,-1.0 2,-1.4 -4,-0.3 188,-0.1 -0.422 81.4-124.7 -78.0 146.9 -71.2 -21.3 12.8 40 41 A D + 0 0 87 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.619 55.7 142.0 -91.8 77.9 -67.5 -20.3 12.2 41 42 A F - 0 0 2 -2,-1.4 -23,-0.2 -5,-0.2 3,-0.1 -0.743 44.2-152.7-114.8 164.2 -65.7 -23.7 12.7 42 43 A D S S+ 0 0 27 -25,-2.4 2,-0.4 1,-0.3 -24,-0.2 0.770 81.1 27.4-103.2 -38.5 -62.8 -25.3 11.0 43 44 A I E -c 18 0B 4 -26,-2.5 -24,-1.6 31,-0.2 2,-0.6 -0.989 67.1-144.9-130.6 138.1 -63.4 -29.0 11.5 44 45 A L E -cd 19 76B 1 31,-2.4 33,-3.1 -2,-0.4 2,-0.6 -0.915 12.4-160.8-103.6 119.6 -66.7 -30.9 11.9 45 46 A E E -cd 20 77B 3 -26,-3.1 -24,-3.3 -2,-0.6 2,-0.8 -0.897 7.0-150.9 -98.1 125.0 -66.7 -33.9 14.3 46 47 A W E -cd 21 78B 0 31,-3.3 33,-2.4 -2,-0.6 2,-1.6 -0.867 8.0-148.6 -95.0 111.3 -69.5 -36.3 13.8 47 48 A R E > - d 0 79B 16 -26,-2.4 3,-1.4 -2,-0.8 4,-0.3 -0.675 18.1-177.8 -82.6 91.2 -70.2 -37.9 17.2 48 49 A V G > S+ 0 0 0 31,-2.0 3,-1.4 -2,-1.6 32,-0.2 0.753 72.6 69.7 -62.2 -31.3 -71.4 -41.2 15.8 49 50 A D G 3 S+ 0 0 1 30,-0.8 -1,-0.3 1,-0.3 31,-0.1 0.717 95.2 57.2 -62.2 -20.8 -72.1 -42.6 19.3 50 51 A H G < S+ 0 0 35 -3,-1.4 -1,-0.3 -29,-0.2 2,-0.2 0.627 87.0 97.4 -80.7 -15.2 -75.0 -40.2 19.6 51 52 A F < - 0 0 1 -3,-1.4 3,-0.5 -4,-0.3 -27,-0.2 -0.544 69.7-147.4 -76.2 138.5 -76.4 -41.7 16.4 52 53 A A S S+ 0 0 61 -28,-2.7 2,-0.8 1,-0.2 3,-0.3 0.884 89.5 50.6 -78.2 -40.5 -79.1 -44.3 17.1 53 54 A N > + 0 0 85 -29,-0.5 3,-1.0 1,-0.2 7,-0.3 -0.336 64.8 138.4 -96.3 57.1 -78.6 -46.7 14.2 54 55 A V T 3 + 0 0 5 -2,-0.8 -1,-0.2 -3,-0.5 6,-0.1 0.787 68.4 55.2 -72.1 -28.2 -74.8 -47.2 14.6 55 56 A T T 3 S+ 0 0 98 -3,-0.3 2,-0.8 1,-0.1 -1,-0.2 0.499 89.1 83.4 -84.8 -3.5 -74.9 -50.9 13.9 56 57 A T X> - 0 0 65 -3,-1.0 4,-2.1 1,-0.2 3,-1.2 -0.848 65.0-163.7-101.3 98.4 -76.7 -50.6 10.5 57 58 A A H 3> S+ 0 0 73 -2,-0.8 4,-3.0 1,-0.3 5,-0.2 0.876 87.4 54.9 -46.5 -52.1 -73.9 -49.8 8.0 58 59 A E H 3> S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.831 110.0 47.9 -54.4 -35.5 -76.2 -48.5 5.3 59 60 A S H <> S+ 0 0 22 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.937 111.1 48.5 -72.6 -47.3 -77.7 -46.0 7.9 60 61 A V H X S+ 0 0 10 -4,-2.1 4,-2.6 -7,-0.3 -2,-0.2 0.943 113.5 49.2 -55.6 -48.3 -74.3 -44.7 9.1 61 62 A L H X S+ 0 0 95 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.865 108.9 51.5 -58.9 -43.7 -73.2 -44.3 5.4 62 63 A E H X S+ 0 0 106 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.912 111.9 47.0 -62.9 -43.6 -76.4 -42.4 4.5 63 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 111.7 50.0 -64.1 -46.0 -75.9 -40.0 7.4 64 65 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 111.3 50.6 -58.0 -42.1 -72.1 -39.4 6.6 65 66 A G H X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.855 108.2 52.1 -63.9 -38.2 -73.1 -38.7 3.0 66 67 A A H X S+ 0 0 7 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.913 111.4 46.0 -63.6 -46.6 -75.7 -36.2 4.1 67 68 A I H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 3,-0.2 0.935 111.3 52.2 -60.7 -48.3 -73.2 -34.3 6.2 68 69 A R H < S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.9 50.0 -57.7 -35.9 -70.6 -34.4 3.4 69 70 A E H < S+ 0 0 155 -4,-1.7 3,-0.3 -5,-0.2 -1,-0.2 0.824 117.5 38.3 -74.2 -34.0 -73.2 -32.9 1.0 70 71 A I H < S+ 0 0 27 -4,-1.6 2,-0.8 1,-0.2 -2,-0.2 0.868 121.2 43.4 -83.6 -42.1 -74.2 -30.1 3.4 71 72 A I < + 0 0 6 -4,-3.4 -1,-0.2 -5,-0.2 -27,-0.1 -0.754 68.9 155.8-106.7 83.2 -70.8 -29.3 4.7 72 73 A T + 0 0 93 -2,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.702 66.0 47.5 -86.4 -18.5 -68.7 -29.4 1.6 73 74 A D S S+ 0 0 90 -3,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.975 95.0 74.3 -84.2 -59.7 -65.8 -27.2 2.6 74 75 A K S S- 0 0 44 1,-0.1 -31,-0.2 -33,-0.1 -68,-0.1 -0.074 84.0-104.2 -61.9 145.6 -64.7 -28.4 6.1 75 76 A P - 0 0 4 0, 0.0 -31,-2.4 0, 0.0 2,-0.5 -0.416 35.5-138.6 -61.1 143.1 -62.8 -31.6 7.1 76 77 A L E -d 44 0B 3 -33,-0.2 35,-1.8 -2,-0.1 34,-1.7 -0.961 11.9-159.9-115.1 122.0 -65.1 -34.2 8.5 77 78 A L E -de 45 111B 1 -33,-3.1 -31,-3.3 -2,-0.5 2,-0.6 -0.919 8.0-148.9-103.1 123.4 -63.9 -36.2 11.6 78 79 A F E +de 46 112B 3 33,-2.6 35,-2.3 -2,-0.5 2,-0.4 -0.855 24.2 175.1 -95.7 114.6 -65.7 -39.5 12.3 79 80 A T E -d 47 0B 0 -33,-2.4 -31,-2.0 -2,-0.6 2,-0.8 -0.944 23.2-177.4-132.3 112.8 -65.8 -40.2 16.0 80 81 A F - 0 0 1 33,-0.5 2,-0.7 -2,-0.4 -33,-0.1 -0.928 21.1-158.5 -99.5 106.0 -67.5 -43.0 17.8 81 82 A R - 0 0 3 -2,-0.8 8,-0.6 5,-0.1 7,-0.4 -0.812 17.0-129.6 -88.1 120.8 -66.7 -42.2 21.4 82 83 A S B > > -i 89 0C 13 -2,-0.7 5,-2.9 5,-0.2 3,-1.8 -0.321 13.2-120.8 -72.3 150.3 -67.1 -45.4 23.5 83 84 A A G > 5S+ 0 0 47 6,-1.4 3,-1.7 1,-0.3 7,-0.1 0.877 112.7 67.2 -54.5 -36.5 -69.2 -45.4 26.6 84 85 A K G 3 5S+ 0 0 149 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.731 107.0 37.6 -55.3 -31.1 -66.1 -46.4 28.4 85 86 A E G < 5S- 0 0 7 -3,-1.8 -1,-0.3 58,-0.1 -2,-0.2 -0.201 139.1 -69.7-119.0 40.6 -64.5 -43.0 27.7 86 87 A G T < 5S+ 0 0 36 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.379 90.7 136.4 93.9 -1.0 -67.5 -40.8 28.2 87 88 A G < - 0 0 12 -5,-2.9 -1,-0.2 2,-0.1 -5,-0.2 -0.109 62.4-113.3 -77.1 176.1 -69.5 -41.8 25.1 88 89 A E S S+ 0 0 118 -7,-0.4 2,-0.3 1,-0.1 -6,-0.1 0.719 87.8 8.0 -82.8 -25.6 -73.3 -42.6 24.7 89 90 A Q B -i 82 0C 57 -8,-0.6 -6,-1.4 2,-0.0 2,-0.3 -0.938 66.9-118.1-151.4 170.7 -73.1 -46.3 23.9 90 91 A A - 0 0 74 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.0 -0.809 20.0-178.9-117.4 154.6 -70.9 -49.4 23.7 91 92 A L - 0 0 36 -2,-0.3 2,-0.1 -36,-0.0 -8,-0.1 -0.928 36.8 -97.3-140.0 161.6 -69.9 -51.6 20.9 92 93 A T > - 0 0 83 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.369 40.7-107.3 -73.0 161.2 -67.7 -54.7 20.9 93 94 A T H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 122.5 50.8 -54.1 -46.2 -64.1 -54.1 19.8 94 95 A G H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 110.2 48.0 -59.4 -47.3 -64.9 -55.9 16.5 95 96 A Q H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 111.8 50.5 -59.1 -46.2 -67.9 -53.7 15.8 96 97 A Y H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.901 112.7 46.1 -60.2 -44.5 -66.0 -50.5 16.6 97 98 A I H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.953 113.3 48.3 -66.6 -50.3 -63.1 -51.5 14.3 98 99 A D H X S+ 0 0 110 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.867 110.1 54.0 -56.7 -38.8 -65.5 -52.5 11.4 99 100 A L H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.954 112.4 42.2 -59.1 -53.3 -67.4 -49.2 11.9 100 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.861 113.2 52.4 -63.6 -39.0 -64.2 -47.1 11.6 101 102 A R H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.843 108.9 51.4 -64.5 -37.1 -63.0 -49.2 8.6 102 103 A A H X S+ 0 0 53 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.865 109.6 49.6 -66.5 -38.1 -66.3 -48.7 6.9 103 104 A A H X S+ 0 0 8 -4,-1.9 4,-0.7 2,-0.2 6,-0.6 0.936 112.3 48.2 -64.7 -48.0 -66.0 -44.9 7.4 104 105 A V H >< S+ 0 0 2 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.921 112.2 48.6 -56.5 -46.2 -62.4 -45.0 6.0 105 106 A D H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.771 99.0 68.8 -68.7 -26.8 -63.5 -47.0 3.0 106 107 A S H 3< S- 0 0 40 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.746 91.6-138.3 -65.8 -27.3 -66.5 -44.8 2.2 107 108 A G S << S+ 0 0 58 -3,-0.8 -1,-0.1 -4,-0.7 -3,-0.1 0.487 77.3 106.9 79.3 3.3 -64.3 -41.8 1.1 108 109 A L + 0 0 33 -5,-0.5 2,-0.4 1,-0.0 -4,-0.1 0.654 67.0 61.1 -87.6 -15.9 -66.8 -39.5 3.0 109 110 A V - 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0 0 8 -6,-0.6 -32,-0.1 -5,-0.2 -2,-0.1 -0.868 53.5-164.0-114.3 143.2 -25.7 42.6 46.1 614 111 C D S S+ 0 0 23 -34,-1.9 26,-2.2 -2,-0.4 2,-0.3 0.662 78.2 15.2 -92.2 -22.6 -27.4 39.4 47.2 615 112 C M E -ab 581 640L 1 -35,-1.5 -33,-2.9 24,-0.2 2,-0.3 -0.993 60.1-154.3-151.3 151.3 -24.4 37.2 47.0 616 113 C I E -ab 582 641L 0 24,-2.0 26,-2.6 -2,-0.3 2,-0.5 -0.891 18.1-131.5-122.0 155.8 -20.6 37.4 46.8 617 114 C D E - b 0 642L 0 -35,-2.1 -33,-0.5 -2,-0.3 2,-0.4 -0.942 23.4-173.2-105.4 126.0 -18.2 34.9 45.4 618 115 C L E - b 0 643L 1 24,-2.6 26,-2.3 -2,-0.5 2,-0.4 -0.992 23.6-124.4-118.5 135.4 -15.2 34.0 47.7 619 116 C E E > - b 0 644L 3 -2,-0.4 3,-1.8 24,-0.2 4,-0.3 -0.627 11.5-138.2 -83.4 126.6 -12.4 31.8 46.4 620 117 C L G > S+ 0 0 4 24,-2.7 3,-0.7 -2,-0.4 -1,-0.1 0.854 100.2 52.4 -47.0 -45.6 -11.6 28.8 48.5 621 118 C F G 3 S+ 0 0 97 23,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.134 77.0 100.2 -88.5 25.5 -7.8 29.2 48.3 622 119 C T G < S- 0 0 24 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.852 104.2 -69.9 -71.1 -37.1 -7.7 32.8 49.5 623 120 C G <> - 0 0 24 -3,-0.7 4,-2.6 -4,-0.3 5,-0.2 -0.240 37.0-117.6 141.8 125.9 -6.7 31.8 53.0 624 121 C D H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 111.3 47.6 -52.4 -51.9 -8.8 30.0 55.7 625 122 C D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 115.2 45.3 -57.0 -47.6 -8.8 32.8 58.3 626 123 C E H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 115.5 47.6 -63.8 -43.4 -9.7 35.5 55.8 627 124 C V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.942 110.5 49.7 -66.1 -49.3 -12.4 33.4 54.3 628 125 C K H X S+ 0 0 111 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.921 113.9 46.8 -55.3 -46.7 -14.0 32.3 57.6 629 126 C A H X S+ 0 0 66 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.880 114.8 45.2 -64.8 -38.4 -14.1 35.9 58.7 630 127 C T H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.839 110.6 52.9 -78.8 -31.3 -15.6 37.2 55.4 631 128 C V H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.942 111.9 46.7 -63.0 -47.5 -18.2 34.5 55.1 632 129 C G H X S+ 0 0 30 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.896 111.5 52.6 -60.5 -37.9 -19.3 35.4 58.7 633 130 C Y H X S+ 0 0 55 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.913 108.6 48.2 -65.8 -42.5 -19.3 39.0 57.7 634 131 C A H ><>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 3,-1.1 0.941 111.9 50.6 -63.0 -46.1 -21.5 38.4 54.7 635 132 C H H ><5S+ 0 0 69 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.871 103.6 57.6 -62.2 -37.4 -24.0 36.3 56.7 636 133 C Q H 3<5S+ 0 0 148 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.728 112.1 43.9 -65.0 -20.3 -24.3 39.0 59.4 637 134 C H T <<5S- 0 0 77 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.181 120.4-109.1-109.5 15.1 -25.4 41.3 56.6 638 135 C N T < 5S+ 0 0 155 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.834 72.3 138.4 61.2 37.6 -27.7 38.8 55.0 639 136 C V < - 0 0 8 -5,-2.5 -1,-0.2 -8,-0.1 -24,-0.2 -0.970 47.9-133.4-114.4 126.4 -25.5 38.3 51.9 640 137 C A E -b 615 0L 13 -26,-2.2 -24,-2.0 -2,-0.5 2,-0.4 -0.324 16.3-137.2 -76.1 158.9 -25.2 34.7 50.7 641 138 C V E -b 616 0L 0 -26,-0.2 30,-2.1 27,-0.2 29,-1.8 -0.981 13.9-167.9-128.3 122.9 -21.8 33.3 49.8 642 139 C I E -bc 617 671L 4 -26,-2.6 -24,-2.6 -2,-0.4 2,-0.5 -0.925 19.0-155.5 -98.1 128.2 -20.8 31.1 46.8 643 140 C M E -bc 618 672L 0 28,-1.5 30,-2.4 -2,-0.5 2,-0.3 -0.947 19.5-168.6-109.8 134.1 -17.3 29.7 47.5 644 141 C S E -bc 619 673L 0 -26,-2.3 -24,-2.7 -2,-0.5 -23,-0.4 -0.815 27.4-176.6-130.8 164.0 -15.4 28.8 44.4 645 142 C N E - c 0 674L 6 28,-0.7 30,-2.1 -2,-0.3 2,-0.4 -0.968 14.2-165.4-154.0 138.4 -12.4 27.1 42.9 646 143 C H E - c 0 675L 17 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.978 11.7-176.0-131.3 142.5 -11.3 27.0 39.2 647 144 C D E - c 0 676L 11 28,-1.9 30,-0.8 -2,-0.4 -58,-0.1 -0.918 0.5-178.0-138.1 108.4 -8.9 24.9 37.3 648 145 C F S S+ 0 0 22 -2,-0.4 699,-0.5 28,-0.2 28,-0.1 0.407 80.7 42.2 -87.9 3.8 -8.4 25.8 33.6 649 146 C H S S+ 0 0 32 1,-0.3 2,-0.3 697,-0.1 -1,-0.1 0.665 114.9 4.2-121.4 -25.7 -6.0 23.1 32.7 650 147 C K - 0 0 91 28,-0.1 27,-1.5 29,-0.1 -1,-0.3 -0.929 58.3-113.1-155.0 175.2 -7.0 19.8 34.4 651 148 C T - 0 0 16 -2,-0.3 3,-0.1 25,-0.2 28,-0.1 -0.959 33.5-140.5-119.5 109.6 -9.5 17.9 36.4 652 149 C P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.184 43.0 -73.2 -59.8 163.9 -8.3 16.8 39.8 653 150 C A > - 0 0 57 1,-0.1 4,-2.3 3,-0.1 3,-0.5 -0.211 45.1-114.0 -54.3 147.3 -9.3 13.3 41.1 654 151 C A H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.891 118.9 58.4 -51.2 -40.7 -12.9 13.1 42.1 655 152 C E H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 107.4 45.1 -57.7 -44.1 -11.7 12.5 45.7 656 153 C E H > S+ 0 0 80 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.882 111.7 53.1 -68.6 -37.1 -9.9 15.9 45.6 657 154 C I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 110.4 47.5 -62.6 -44.4 -12.9 17.6 44.0 658 155 C V H X S+ 0 0 12 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.912 109.7 53.3 -64.6 -42.5 -15.2 16.3 46.8 659 156 C Q H X S+ 0 0 82 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.905 109.1 48.7 -61.2 -38.6 -12.7 17.4 49.5 660 157 C R H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 112.2 47.9 -64.3 -46.9 -12.6 20.9 48.1 661 158 C L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.901 113.1 49.1 -59.9 -42.3 -16.4 21.1 48.0 662 159 C R H X S+ 0 0 93 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.895 108.4 52.3 -64.2 -44.0 -16.6 19.7 51.6 663 160 C K H X S+ 0 0 53 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.883 107.2 54.4 -59.9 -38.8 -14.0 22.3 52.8 664 161 C M H <>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 -2,-0.2 0.942 110.7 44.9 -58.7 -47.9 -16.2 25.0 51.2 665 162 C Q H ><5S+ 0 0 29 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.896 110.1 55.2 -61.9 -42.1 -19.2 23.8 53.2 666 163 C E H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 104.9 54.1 -61.4 -35.1 -17.0 23.5 56.3 667 164 C L T 3<5S- 0 0 11 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.384 127.3 -97.5 -82.2 3.4 -16.0 27.2 55.9 668 165 C G T < 5 + 0 0 22 -3,-1.6 -3,-0.2 1,-0.2 -27,-0.2 0.477 62.5 165.6 97.9 6.1 -19.7 28.3 55.8 669 166 C A < - 0 0 0 -5,-2.3 -1,-0.2 -6,-0.2 -27,-0.2 -0.259 30.1-154.2 -55.1 132.8 -20.3 28.6 52.0 670 167 C D S S+ 0 0 36 -29,-1.8 -28,-0.2 1,-0.3 -1,-0.2 0.887 89.9 17.9 -74.4 -36.6 -24.0 28.8 51.2 671 168 C I E S-c 642 0L 2 -30,-2.1 -28,-1.5 30,-0.1 -1,-0.3 -0.868 76.9-150.2-139.1 100.8 -23.2 27.3 47.8 672 169 C P E -c 643 0L 0 0, 0.0 32,-2.2 0, 0.0 2,-0.4 -0.440 20.8-171.4 -65.2 144.2 -19.9 25.5 47.1 673 170 C K E +cd 644 704L 8 -30,-2.4 -28,-0.7 30,-0.2 2,-0.4 -0.999 12.4 175.9-142.0 135.6 -18.8 25.8 43.4 674 171 C I E -cd 645 705L 0 30,-1.8 32,-1.5 -2,-0.4 2,-0.4 -0.997 6.8-172.0-143.3 136.8 -16.1 24.2 41.4 675 172 C A E +cd 646 706L 1 -30,-2.1 -28,-1.9 -2,-0.4 2,-0.3 -0.996 14.4 176.2-130.2 123.9 -15.2 24.5 37.7 676 173 C V E -cd 647 707L 0 30,-2.4 32,-3.5 -2,-0.4 -25,-0.2 -0.870 26.9-121.0-129.2 160.1 -12.6 22.2 36.2 677 174 C M - 0 0 0 -27,-1.5 2,-0.5 -30,-0.8 32,-0.1 -0.876 19.8-137.0-105.4 123.8 -11.2 21.6 32.8 678 175 C P - 0 0 0 0, 0.0 33,-0.1 0, 0.0 3,-0.1 -0.656 12.1-169.7 -78.2 126.7 -11.4 18.2 31.2 679 176 C Q S S+ 0 0 96 -2,-0.5 666,-0.3 1,-0.2 2,-0.3 0.748 82.5 5.9 -79.2 -26.2 -8.1 17.3 29.4 680 177 C T S >> S- 0 0 59 671,-0.1 3,-1.4 -3,-0.1 4,-0.6 -0.949 90.1 -95.6-147.9 165.3 -10.0 14.3 27.9 681 178 C K H >> S+ 0 0 29 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 0.851 117.9 64.4 -61.2 -31.6 -13.7 13.1 27.9 682 179 C A H >> S+ 0 0 36 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.868 93.5 64.4 -56.3 -34.5 -13.2 10.8 30.9 683 180 C D H <> S+ 0 0 27 -3,-1.4 4,-1.9 1,-0.3 -1,-0.3 0.790 93.5 60.7 -60.2 -28.6 -12.4 13.9 33.0 684 181 C V H S+ 0 0 75 -4,-2.5 4,-2.6 -5,-0.2 5,-0.6 0.921 115.0 43.5 -61.4 -45.3 -20.8 11.9 45.7 694 191 C M H X>S+ 0 0 0 -4,-2.3 5,-3.2 3,-0.2 4,-1.9 0.950 116.8 44.5 -64.2 -52.4 -20.9 15.4 47.3 695 192 C Q H <5S+ 0 0 52 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.898 121.9 38.3 -61.3 -44.3 -24.6 16.0 46.7 696 193 C E H <5S+ 0 0 83 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.900 129.9 23.6 -77.0 -42.6 -25.7 12.6 47.8 697 194 C R H <5S+ 0 0 177 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.785 132.8 13.8 -98.3 -29.3 -23.3 11.9 50.7 698 195 C Y T < + 0 0 1 -32,-3.5 4,-0.8 -2,-0.6 30,-0.2 -0.120 56.6 42.0 -79.4 176.5 -15.5 23.4 31.2 709 206 C S H >> S- 0 0 0 28,-1.6 3,-0.7 2,-0.2 4,-0.5 0.161 99.8 -69.0 73.9 168.3 -15.1 23.5 27.4 710 207 C K H >4 S+ 0 0 20 639,-3.2 3,-0.9 1,-0.2 4,-0.3 0.845 132.8 61.0 -54.9 -37.3 -17.3 22.0 24.7 711 208 C T H 34 S+ 0 0 14 638,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.848 109.2 41.0 -60.6 -36.5 -16.2 18.6 25.8 712 209 C G H X< S+ 0 0 0 -4,-0.8 3,-2.5 -3,-0.7 -5,-0.5 0.425 80.5 111.5 -92.9 2.7 -17.7 19.2 29.3 713 210 C V T XX + 0 0 10 -3,-0.9 3,-1.7 -4,-0.5 4,-0.5 0.739 64.9 68.8 -53.2 -29.9 -20.9 20.9 28.2 714 211 C I H >> S+ 0 0 5 -3,-0.3 4,-2.4 1,-0.3 3,-1.2 0.850 92.8 61.7 -59.5 -28.8 -23.1 18.1 29.3 715 212 C S H <4 S+ 0 0 4 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.720 101.7 51.4 -68.9 -20.7 -22.2 19.1 32.9 716 213 C R H <4 S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.526 116.3 41.1 -89.0 -10.3 -23.8 22.4 32.3 717 214 C L H << S+ 0 0 3 -3,-1.2 3,-0.4 -4,-0.5 -2,-0.2 0.763 107.4 54.3-107.0 -35.5 -27.0 20.8 31.0 718 215 C A X + 0 0 4 -4,-2.4 4,-2.3 1,-0.2 3,-0.4 -0.028 63.7 121.2 -97.8 31.2 -27.7 17.8 33.3 719 216 C G H >> + 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.7 0.815 66.3 64.7 -63.2 -30.9 -27.7 19.5 36.7 720 217 C E H 45S+ 0 0 57 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.910 113.0 32.9 -62.9 -41.6 -31.2 18.5 37.5 721 218 C V H 45S+ 0 0 34 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.947 125.8 39.5 -78.0 -49.2 -30.3 14.8 37.6 722 219 C F H <5S- 0 0 1 -4,-2.3 -27,-0.2 2,-0.1 -3,-0.2 0.723 113.2-101.4 -83.0 -20.2 -26.7 15.0 38.9 723 220 C G T <5 + 0 0 19 -4,-2.5 2,-0.6 1,-0.3 -20,-0.5 0.659 69.1 137.1 115.2 15.0 -27.0 17.7 41.5 724 221 C S < - 0 0 8 -5,-0.7 -1,-0.3 -6,-0.1 -20,-0.2 -0.876 36.0-160.6 -91.5 122.6 -25.6 21.0 40.1 725 222 C A + 0 0 13 -22,-3.4 -205,-2.1 -2,-0.6 -210,-0.4 0.578 68.3 23.4 -81.5 -13.9 -28.1 23.7 41.3 726 223 C A E -x 520 0L 1 -23,-0.3 -21,-0.4 -207,-0.3 2,-0.3 -0.983 60.4-164.3-150.8 162.4 -27.1 26.4 38.7 727 224 C T E -x 521 0L 6 -207,-2.7 -205,-2.5 -2,-0.3 2,-0.4 -0.996 18.2-125.4-153.0 142.0 -25.4 26.7 35.3 728 225 C F E +x 522 0L 6 -2,-0.3 12,-0.4 -207,-0.2 2,-0.3 -0.752 24.9 177.5 -95.1 139.4 -23.9 29.5 33.3 729 226 C G - 0 0 0 -207,-2.1 -205,-0.5 -2,-0.4 2,-0.4 -0.788 26.9-113.7-128.1 171.5 -24.8 30.5 29.8 730 227 C A B -f 741 0N 11 10,-2.7 12,-2.4 -2,-0.3 13,-0.3 -0.899 15.2-169.6-113.1 139.7 -23.6 33.3 27.5 731 228 C V S S- 0 0 38 2,-0.6 -1,-0.2 -2,-0.4 12,-0.1 0.929 87.9 -28.6 -86.4 -71.3 -25.6 36.3 26.3 732 229 C K S S+ 0 0 169 1,-0.4 2,-0.4 9,-0.1 -2,-0.1 0.674 137.0 26.7-113.8 -39.9 -23.2 37.6 23.6 733 230 C K S S- 0 0 60 -209,-0.2 -2,-0.6 -207,-0.0 -1,-0.4 -0.993 80.7-117.2-131.5 142.6 -19.8 36.5 25.0 734 231 C A - 0 0 42 -2,-0.4 -4,-0.1 -4,-0.2 -211,-0.0 -0.371 6.2-156.1 -72.9 146.3 -18.9 33.6 27.2 735 232 C S S S+ 0 0 20 1,-0.2 -1,-0.1 -6,-0.1 -5,-0.0 0.386 84.0 16.1 -99.5 -2.9 -17.4 34.2 30.7 736 233 C A S > S- 0 0 15 -8,-0.0 3,-1.4 3,-0.0 -1,-0.2 -0.967 96.8 -78.5-161.9 155.2 -15.8 30.7 30.5 737 234 C P T 3 S+ 0 0 12 0, 0.0 -28,-1.6 0, 0.0 612,-0.1 -0.299 109.1 20.3 -59.8 137.2 -15.0 28.0 28.0 738 235 C G T 3 S+ 0 0 3 1,-0.3 2,-0.2 -30,-0.2 -22,-0.1 0.417 79.7 139.3 89.2 -0.6 -17.9 25.8 26.9 739 236 C Q < - 0 0 9 -3,-1.4 -1,-0.3 -10,-0.1 2,-0.2 -0.520 39.3-148.8 -73.3 144.8 -20.9 28.0 27.9 740 237 C I - 0 0 6 -12,-0.4 -10,-2.7 -2,-0.2 5,-0.1 -0.706 34.2 -71.7-109.3 167.9 -23.6 28.0 25.3 741 238 C S B > -f 730 0N 41 -2,-0.2 4,-2.3 -12,-0.2 3,-0.4 -0.267 45.0-120.8 -57.3 142.0 -26.1 30.8 24.4 742 239 C V H > S+ 0 0 14 -12,-2.4 4,-2.7 1,-0.2 5,-0.2 0.826 111.3 55.4 -57.6 -35.3 -28.6 31.4 27.1 743 240 C A H > S+ 0 0 62 -13,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.909 111.0 43.8 -63.0 -43.8 -31.6 30.6 24.8 744 241 C D H > S+ 0 0 69 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.843 112.7 53.2 -70.6 -34.5 -30.1 27.2 23.9 745 242 C L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.944 109.7 47.8 -63.5 -48.0 -29.3 26.6 27.5 746 243 C R H X S+ 0 0 49 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.938 109.5 54.7 -58.9 -47.0 -32.9 27.3 28.5 747 244 C T H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.931 112.4 41.3 -50.8 -52.7 -34.1 25.1 25.7 748 245 C V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.937 114.1 51.9 -66.3 -44.6 -32.1 22.0 26.9 749 246 C L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.881 111.0 48.7 -58.1 -40.2 -32.9 22.7 30.6 750 247 C T H X S+ 0 0 55 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.924 110.2 50.4 -66.7 -43.9 -36.6 22.9 29.8 751 248 C I H X S+ 0 0 16 -4,-2.2 4,-0.6 -5,-0.2 -2,-0.2 0.924 115.1 44.1 -59.6 -44.2 -36.5 19.6 27.8 752 249 C L H < S+ 0 0 28 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.815 110.5 54.1 -71.3 -31.7 -34.7 17.8 30.6 753 250 C H H < S+ 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.801 118.8 34.9 -72.1 -28.0 -37.0 19.3 33.3 754 251 C Q H < 0 0 93 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.356 360.0 360.0-105.9 2.1 -40.1 18.0 31.4 755 252 C A < 0 0 13 -4,-0.6 -267,-0.1 -3,-0.2 -297,-0.1 -0.131 360.0 360.0 -71.6 360.0 -38.6 14.7 30.1 756 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 757 1 D M 0 0 112 0, 0.0 2,-0.4 0, 0.0 197,-0.3 0.000 360.0 360.0 360.0 158.6 -59.8 -14.6 52.2 758 2 D K - 0 0 168 195,-2.0 195,-0.0 197,-0.0 2,-0.0 -0.846 360.0-129.3 -99.1 135.9 -61.1 -11.2 53.2 759 3 D T - 0 0 48 -2,-0.4 2,-0.4 195,-0.2 9,-0.2 -0.279 15.6-129.8 -75.1 168.7 -62.0 -8.9 50.2 760 4 D V E -G 767 0O 22 7,-2.6 7,-3.4 2,-0.0 2,-0.5 -0.994 14.8-155.4-125.9 124.6 -60.7 -5.4 50.0 761 5 D T E -G 766 0O 83 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.887 10.6-177.3-104.1 123.9 -63.1 -2.5 49.4 762 6 D V E > S-G 765 0O 8 3,-2.5 3,-2.5 -2,-0.5 2,-0.4 -0.989 72.1 -45.3-121.4 112.2 -61.7 0.7 47.8 763 7 D R T 3 S- 0 0 66 -2,-0.5 68,-0.0 1,-0.3 67,-0.0 -0.490 124.5 -25.5 59.7-114.1 -64.6 3.2 47.6 764 8 D D T 3 S+ 0 0 161 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.269 116.0 104.0-111.5 9.5 -67.4 1.2 46.3 765 9 D L E < -G 762 0O 31 -3,-2.5 -3,-2.5 34,-0.1 2,-0.8 -0.822 57.9-153.5 -97.2 124.5 -65.3 -1.4 44.5 766 10 D V E > -G 761 0O 46 -2,-0.5 3,-0.7 -5,-0.2 2,-0.4 -0.858 12.4-159.6 -99.6 106.1 -65.0 -4.8 46.2 767 11 D V E 3 S+G 760 0O 2 -7,-3.4 -7,-2.6 -2,-0.8 3,-0.1 -0.745 72.5 37.0 -87.7 131.7 -61.7 -6.4 45.1 768 12 D G T 3 S+ 0 0 29 210,-0.4 2,-0.4 -2,-0.4 -1,-0.2 0.317 96.5 96.5 111.0 -1.5 -61.4 -10.2 45.5 769 13 D E S < S- 0 0 119 -3,-0.7 -1,-0.4 2,-0.2 -3,-0.1 -0.924 84.0 -20.0-122.4 140.8 -65.0 -10.9 44.5 770 14 D G S S+ 0 0 51 -2,-0.4 3,-0.1 -3,-0.1 -2,-0.1 -0.257 114.3 2.2 66.4-149.3 -66.4 -12.0 41.2 771 15 D A S S- 0 0 28 1,-0.1 -2,-0.2 232,-0.0 -3,-0.2 -0.436 93.8 -89.1 -70.1 146.8 -64.5 -11.3 37.9 772 16 D P - 0 0 5 0, 0.0 207,-0.3 0, 0.0 2,-0.3 -0.184 45.1-112.4 -55.6 149.7 -61.1 -9.7 38.3 773 17 D K E -h 979 0P 28 205,-2.1 207,-2.7 -3,-0.1 2,-0.5 -0.607 24.1-125.5 -87.6 142.6 -61.1 -5.9 38.3 774 18 D I E -h 980 0P 0 -2,-0.3 25,-3.3 205,-0.2 26,-1.8 -0.796 25.5-172.4 -93.2 126.8 -59.5 -4.0 35.4 775 19 D I E -hi 981 800P 0 205,-2.5 207,-1.9 -2,-0.5 2,-0.3 -0.906 2.3-166.1-115.1 141.5 -56.8 -1.5 36.2 776 20 D V E - i 0 801P 0 24,-1.8 26,-3.3 -2,-0.4 2,-0.5 -0.962 17.0-126.5-127.5 148.9 -55.3 0.9 33.6 777 21 D S E - i 0 802P 4 205,-0.5 2,-0.5 -2,-0.3 207,-0.3 -0.842 10.5-152.0-101.2 128.0 -52.1 3.0 33.9 778 22 D L E - i 0 803P 0 24,-3.2 26,-2.3 -2,-0.5 2,-0.5 -0.858 17.4-175.2 -95.7 123.6 -52.1 6.8 33.3 779 23 D M + 0 0 12 -2,-0.5 2,-0.3 24,-0.1 26,-0.1 -0.949 15.1 149.5-128.3 111.1 -48.7 7.9 32.1 780 24 D G - 0 0 4 -2,-0.5 29,-0.1 24,-0.4 -2,-0.0 -0.999 32.0-157.3-141.6 141.1 -47.9 11.6 31.5 781 25 D K S S+ 0 0 60 -2,-0.3 28,-2.7 27,-0.2 29,-0.4 0.913 79.7 30.0 -82.7 -49.6 -44.7 13.6 31.8 782 26 D T S > S- 0 0 26 26,-0.2 4,-2.7 27,-0.1 5,-0.1 -0.584 88.9-104.7-105.3 172.6 -46.0 17.1 32.4 783 27 D I H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 124.0 55.7 -65.3 -32.5 -49.2 18.4 34.0 784 28 D T H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 108.5 47.2 -66.2 -41.9 -50.5 19.1 30.5 785 29 D D H > S+ 0 0 64 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.944 111.7 51.1 -62.2 -48.0 -49.8 15.4 29.5 786 30 D V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.909 112.0 45.9 -56.4 -44.4 -51.5 14.2 32.8 787 31 D K H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 113.4 49.0 -66.5 -43.1 -54.6 16.3 32.1 788 32 D S H X S+ 0 0 69 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.887 114.2 45.5 -63.9 -42.9 -54.8 15.2 28.5 789 33 D E H X S+ 0 0 24 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.911 110.8 52.4 -68.4 -42.1 -54.5 11.5 29.4 790 34 D A H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.3 -2,-0.2 0.918 110.3 49.8 -61.1 -38.4 -57.0 11.8 32.2 791 35 D L H >< S+ 0 0 89 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.896 111.2 47.9 -66.0 -41.3 -59.5 13.3 29.8 792 36 D A H >< S+ 0 0 56 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.817 108.9 55.0 -67.5 -33.7 -58.9 10.6 27.2 793 37 D Y H >< S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.635 83.9 84.7 -76.1 -14.8 -59.3 7.9 29.9 794 38 D R T << S+ 0 0 149 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.853 92.7 47.8 -56.0 -34.0 -62.7 9.2 31.0 795 39 D E T < S+ 0 0 179 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.761 92.8 105.9 -77.4 -27.9 -64.3 7.1 28.1 796 40 D A S < S- 0 0 16 -3,-0.6 2,-1.1 -4,-0.3 188,-0.1 -0.168 71.9-124.9 -65.8 147.6 -62.4 3.9 29.0 797 41 D D + 0 0 76 187,-0.0 2,-0.3 2,-0.0 202,-0.1 -0.761 59.7 123.3 -93.8 93.6 -63.9 0.8 30.6 798 42 D F - 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