==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 03-APR-10 3MFQ . COMPND 2 MOLECULE: HIGH-AFFINITY ZINC UPTAKE SYSTEM PROTEIN ZNUA; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR G.F.GAO,B.ZHENG,Q.ZHANG,J.GAO,H.HAN,M.LI . 834 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 54 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 0 3 3 0 3 0 4 1 2 2 1 3 0 2 0 0 0 0 0 0 0 3 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 9 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 32 A S 0 0 177 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.3 46.0 -32.1 -12.4 2 33 A K - 0 0 100 1,-0.1 22,-0.1 22,-0.1 21,-0.0 -0.285 360.0 -95.4 -54.8 137.3 42.2 -32.3 -12.7 3 34 A P - 0 0 22 0, 0.0 22,-3.2 0, 0.0 2,-0.6 -0.230 36.8-132.7 -54.5 142.6 40.6 -28.9 -13.2 4 35 A R E -a 25 0A 78 20,-0.2 49,-2.7 47,-0.2 50,-1.8 -0.902 23.0-176.5-107.4 118.8 39.3 -27.2 -10.0 5 36 A V E -ab 26 54A 0 20,-2.1 22,-1.8 -2,-0.6 50,-0.2 -0.905 16.1-146.5-119.2 106.2 35.8 -25.8 -10.1 6 37 A A E -ab 27 55A 0 48,-1.7 50,-2.6 -2,-0.6 2,-0.4 -0.391 17.3-165.3 -72.1 140.5 34.7 -23.9 -6.9 7 38 A V E -ab 28 56A 0 20,-3.2 22,-2.9 48,-0.2 23,-0.3 -0.988 16.6-156.2-140.5 125.8 31.0 -24.3 -6.2 8 39 A T S S+ 0 0 0 48,-1.5 22,-2.8 -2,-0.4 2,-0.2 0.966 72.1 23.8 -69.3 -56.7 28.9 -22.3 -3.8 9 40 A T S > S- 0 0 2 20,-0.1 4,-2.4 19,-0.1 3,-0.3 -0.702 77.1-110.4-116.0 163.2 26.0 -24.5 -2.9 10 41 A S H > S+ 0 0 6 20,-0.3 4,-1.9 -2,-0.2 5,-0.2 0.749 114.7 67.9 -58.9 -24.9 25.2 -28.2 -2.9 11 42 A F H >> S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.981 105.7 37.2 -56.5 -59.0 22.9 -27.5 -5.8 12 43 A L H 3> S+ 0 0 2 -3,-0.3 4,-2.6 1,-0.2 5,-0.4 0.926 109.5 64.5 -62.2 -43.7 25.8 -26.8 -8.1 13 44 A N H 3X S+ 0 0 28 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.851 109.3 40.3 -44.8 -42.6 27.8 -29.5 -6.4 14 45 A D H S+ 0 0 0 -4,-2.6 4,-4.2 1,-0.2 5,-0.7 0.897 112.8 48.7 -54.7 -45.9 28.5 -30.4 -12.1 17 48 A Y H X5S+ 0 0 105 -4,-1.1 4,-2.1 -5,-0.4 -1,-0.2 0.943 109.3 53.1 -58.5 -47.0 28.9 -34.0 -11.0 18 49 A Q H <5S+ 0 0 53 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.865 124.1 28.6 -54.7 -37.1 25.8 -34.9 -13.1 19 50 A L H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.940 134.2 26.9 -89.5 -58.7 27.5 -33.2 -16.0 20 51 A A H ><5S- 0 0 0 -4,-4.2 3,-2.3 1,-0.2 -3,-0.2 0.555 84.7-170.0 -87.2 -9.7 31.2 -33.5 -15.6 21 52 A G T 3<< - 0 0 17 -4,-2.1 3,-0.5 -5,-0.7 -1,-0.2 -0.292 68.1 -23.6 54.2-131.4 31.1 -36.7 -13.5 22 53 A D T 3 S+ 0 0 106 1,-0.2 -1,-0.3 3,-0.1 -5,-0.1 0.198 115.9 97.7 -94.9 15.7 34.5 -37.5 -12.0 23 54 A E S < S+ 0 0 54 -3,-2.3 2,-0.2 -6,-0.1 -1,-0.2 0.758 83.5 40.0 -78.8 -25.7 36.3 -35.4 -14.7 24 55 A V S S- 0 0 8 -3,-0.5 2,-0.6 -4,-0.2 -20,-0.2 -0.716 82.4-115.4-117.7 171.8 36.7 -32.3 -12.6 25 56 A E E -a 4 0A 77 -22,-3.2 -20,-2.1 -2,-0.2 2,-0.3 -0.916 31.0-145.8-113.3 112.2 37.6 -31.5 -9.0 26 57 A R E -a 5 0A 75 -2,-0.6 2,-0.7 -22,-0.2 -20,-0.2 -0.576 12.4-166.6 -90.2 131.8 34.8 -29.9 -7.0 27 58 A D E -a 6 0A 28 -22,-1.8 -20,-3.2 -2,-0.3 2,-0.3 -0.783 11.2-163.2-114.2 86.0 35.3 -27.3 -4.3 28 59 A L E -a 7 0A 49 -2,-0.7 -20,-0.2 -22,-0.2 -19,-0.1 -0.543 9.5-178.8 -71.1 127.5 32.0 -26.9 -2.4 29 60 A L + 0 0 6 -22,-2.9 -21,-0.2 -2,-0.3 -1,-0.2 0.915 68.3 50.9 -91.4 -56.5 32.0 -23.7 -0.3 30 61 A I S S- 0 0 4 -22,-2.8 -20,-0.3 -23,-0.3 -1,-0.2 -0.776 87.7-132.0 -90.9 109.9 28.7 -23.7 1.4 31 62 A P > - 0 0 53 0, 0.0 3,-2.1 0, 0.0 -21,-0.0 -0.303 33.0 -92.6 -61.3 138.3 28.1 -27.0 3.2 32 63 A A T 3 S+ 0 0 28 1,-0.3 221,-0.1 221,-0.1 3,-0.1 -0.232 115.2 36.1 -50.3 134.4 24.7 -28.7 2.6 33 64 A G T 3 S+ 0 0 38 1,-0.5 -1,-0.3 219,-0.3 2,-0.2 0.213 96.8 105.7 101.9 -13.9 22.3 -27.7 5.4 34 65 A E S < S- 0 0 50 -3,-2.1 -1,-0.5 216,-0.1 183,-0.1 -0.506 73.1-112.7 -94.8 168.5 23.7 -24.1 5.6 35 66 A D >> - 0 0 18 -2,-0.2 3,-1.7 1,-0.1 4,-1.6 -0.883 13.9-163.7-111.6 110.1 22.1 -20.9 4.3 36 67 A P T 34 S+ 0 0 1 0, 0.0 29,-0.6 0, 0.0 -1,-0.1 0.771 88.2 71.1 -58.6 -28.4 23.7 -19.1 1.4 37 68 A H T 34 S+ 0 0 5 1,-0.2 152,-0.1 27,-0.1 26,-0.1 0.824 115.1 23.4 -55.6 -32.2 21.6 -16.0 2.3 38 69 A L T <4 S+ 0 0 75 -3,-1.7 -1,-0.2 26,-0.1 25,-0.1 0.600 89.2 126.1-112.0 -18.4 23.8 -15.6 5.4 39 70 A Y < - 0 0 36 -4,-1.6 2,-0.6 1,-0.1 26,-0.3 -0.159 45.7-153.3 -51.4 130.0 27.0 -17.3 4.5 40 71 A V - 0 0 74 24,-0.1 2,-0.1 26,-0.0 5,-0.1 -0.942 19.9-118.8-111.2 119.1 30.0 -15.1 5.0 41 72 A A - 0 0 23 24,-0.6 2,-0.2 -2,-0.6 -12,-0.0 -0.335 32.4-158.6 -57.3 120.1 33.1 -15.8 2.9 42 73 A K > - 0 0 108 -2,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.542 35.4 -93.9 -94.2 165.3 36.0 -16.7 5.1 43 74 A S H > S+ 0 0 82 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.913 128.1 50.9 -39.2 -58.2 39.7 -16.5 4.2 44 75 A S H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.879 110.0 51.4 -52.0 -42.3 39.7 -20.2 3.2 45 76 A D H > S+ 0 0 6 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.979 109.3 46.8 -59.4 -59.4 36.6 -19.5 1.0 46 77 A L H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.852 111.7 55.3 -51.0 -35.2 38.2 -16.6 -0.8 47 78 A S H X S+ 0 0 39 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.938 104.4 51.6 -62.6 -48.3 41.2 -18.8 -1.2 48 79 A K H X S+ 0 0 58 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.883 110.5 49.2 -55.1 -42.3 39.1 -21.6 -2.8 49 80 A L H < S+ 0 0 7 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.896 113.3 47.0 -63.8 -41.1 37.7 -19.0 -5.3 50 81 A Q H < S+ 0 0 156 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.899 113.0 46.7 -69.6 -43.2 41.2 -17.8 -6.1 51 82 A K H < S+ 0 0 142 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.626 94.1 107.1 -73.7 -13.9 42.7 -21.3 -6.5 52 83 A A < - 0 0 16 -4,-0.9 -47,-0.2 -5,-0.3 3,-0.2 -0.390 58.7-157.4 -73.4 141.3 39.8 -22.3 -8.7 53 84 A D S S+ 0 0 104 -49,-2.7 2,-0.3 1,-0.3 -48,-0.2 0.749 90.0 15.9 -80.9 -28.4 40.1 -22.7 -12.5 54 85 A L E -b 5 0A 15 -50,-1.8 -48,-1.7 2,-0.0 2,-0.5 -0.986 68.7-160.0-147.1 133.6 36.4 -22.1 -12.7 55 86 A V E -b 6 0A 3 18,-0.4 20,-3.0 -2,-0.3 2,-0.4 -0.971 10.7-170.7-118.3 126.5 33.9 -20.7 -10.2 56 87 A L E +bc 7 75A 0 -50,-2.6 -48,-1.5 -2,-0.5 2,-0.3 -0.949 13.0 157.2-119.9 135.5 30.1 -21.4 -10.5 57 88 A Y E - c 0 76A 21 18,-1.8 20,-2.8 -2,-0.4 21,-0.4 -0.952 44.5-116.1-148.5 166.8 27.3 -19.8 -8.5 58 89 A H - 0 0 1 -2,-0.3 20,-0.8 18,-0.2 2,-0.3 0.987 43.3-166.2 -67.8 -62.5 23.6 -19.0 -8.6 59 90 A G > + 0 0 6 17,-0.1 3,-2.7 18,-0.1 4,-0.2 -0.728 52.7 107.9 102.7-158.6 23.5 -15.2 -8.7 60 91 A L T 3 S- 0 0 33 1,-0.3 -1,-0.1 -2,-0.3 40,-0.1 0.777 116.0 -71.7 53.9 27.2 20.5 -13.1 -8.0 61 92 A H T 3 S+ 0 0 122 37,-0.1 -1,-0.3 1,-0.1 6,-0.1 0.704 98.0 138.6 62.9 19.8 22.1 -12.2 -4.7 62 93 A F S < S+ 0 0 0 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.1 0.967 73.3 48.6 -57.4 -54.3 21.3 -15.7 -3.5 63 94 A E S S- 0 0 2 -4,-0.2 2,-3.7 1,-0.2 -1,-0.3 0.738 91.6-172.7 -58.3 -22.4 24.7 -16.0 -1.8 64 95 A G S S+ 0 0 35 1,-0.2 -1,-0.2 -5,-0.1 -27,-0.1 0.016 70.1 48.2 63.6 -38.7 23.7 -12.6 -0.4 65 96 A K S S+ 0 0 95 -2,-3.7 -24,-0.6 -29,-0.6 -1,-0.2 0.049 107.5 50.2-124.9 26.1 27.0 -11.9 1.2 66 97 A M >> + 0 0 6 -26,-0.1 4,-2.8 3,-0.0 3,-1.7 0.147 66.0 114.2-145.6 18.1 29.5 -12.7 -1.6 67 98 A V H 3> S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.916 78.5 55.3 -58.7 -43.0 28.1 -10.8 -4.5 68 99 A E H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.264 117.4 36.1 -76.7 13.4 31.2 -8.6 -4.5 69 100 A A H <> S+ 0 0 21 -3,-1.7 4,-1.3 3,-0.1 -2,-0.2 0.556 116.7 46.8-129.0 -35.9 33.5 -11.6 -4.8 70 101 A L H X S+ 0 0 1 -4,-2.8 4,-3.5 2,-0.2 -3,-0.2 0.899 109.1 55.0 -75.8 -43.9 31.6 -14.0 -7.0 71 102 A E H < S+ 0 0 131 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.767 110.2 50.7 -59.3 -24.2 30.7 -11.4 -9.6 72 103 A K H 4 S+ 0 0 165 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.883 129.4 11.5 -81.4 -41.0 34.5 -10.8 -9.8 73 104 A T H < S+ 0 0 67 -4,-1.3 -18,-0.4 -3,-0.1 -2,-0.2 0.619 114.7 65.4-116.0 -18.9 35.8 -14.3 -10.3 74 105 A G < - 0 0 16 -4,-3.5 2,-0.5 -5,-0.2 -18,-0.2 -0.484 66.6-120.1-114.8 175.3 32.8 -16.5 -11.1 75 106 A V E -c 56 0A 32 -20,-3.0 -18,-1.8 -2,-0.2 2,-0.4 -0.964 23.2-139.4-116.8 119.1 30.1 -17.4 -13.5 76 107 A A E > -c 57 0A 15 -2,-0.5 3,-1.5 -20,-0.2 -18,-0.2 -0.637 7.9-144.3 -76.2 127.3 26.4 -17.2 -12.5 77 108 A V T 3 S+ 0 0 0 -20,-2.8 37,-0.3 -2,-0.4 3,-0.3 0.547 100.3 62.5 -69.3 -4.0 24.5 -20.1 -13.9 78 109 A S T > + 0 0 11 -20,-0.8 3,-0.7 -21,-0.4 -1,-0.3 0.045 66.1 113.0-106.3 22.8 21.6 -17.6 -14.3 79 110 A K T < S+ 0 0 127 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.754 76.1 51.6 -68.6 -23.1 23.5 -15.3 -16.7 80 111 A N T 3 S+ 0 0 29 -3,-0.3 327,-0.3 -4,-0.1 -1,-0.2 0.618 80.9 118.0 -90.4 -14.9 21.1 -16.2 -19.5 81 112 A F < - 0 0 21 -3,-0.7 2,-0.2 1,-0.1 325,-0.0 -0.105 54.0-143.0 -50.5 149.6 17.8 -15.5 -17.6 82 113 A N >> - 0 0 52 1,-0.1 4,-0.9 322,-0.0 3,-0.6 -0.650 26.6 -97.7-110.6 172.9 15.7 -12.7 -19.0 83 114 A A G >4 S+ 0 0 85 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.947 120.9 50.3 -54.3 -55.5 13.5 -10.1 -17.3 84 115 A K G 34 S+ 0 0 184 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.713 102.5 62.4 -61.9 -22.0 10.2 -12.0 -17.6 85 116 A D G <4 S+ 0 0 37 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.808 90.6 92.7 -68.7 -28.6 11.8 -15.1 -16.2 86 117 A L << - 0 0 56 -3,-1.8 2,-0.5 -4,-0.9 11,-0.0 -0.306 68.5-143.0 -74.2 146.9 12.5 -13.3 -13.0 87 118 A N - 0 0 49 11,-0.5 11,-3.3 -2,-0.0 2,-0.4 -0.932 25.0-168.5-101.9 132.4 10.2 -13.2 -10.0 88 119 A T E +D 97 0B 60 -2,-0.5 9,-0.2 9,-0.2 2,-0.2 -0.979 13.0 169.8-132.5 130.1 10.2 -9.8 -8.3 89 120 A M E -D 96 0B 103 7,-2.2 7,-1.5 -2,-0.4 2,-0.3 -0.446 32.2 -99.0-116.9-165.9 8.9 -8.5 -5.0 90 121 A D + 0 0 115 5,-0.2 2,-0.2 -2,-0.2 4,-0.1 -0.905 34.6 161.8-122.7 149.0 9.2 -5.3 -2.9 91 122 A E S S- 0 0 126 2,-1.1 4,-0.1 -2,-0.3 -2,-0.0 -0.619 74.8 -32.1-167.9 101.0 11.4 -4.4 0.0 92 123 A D S S- 0 0 174 -2,-0.2 2,-0.1 2,-0.1 -2,-0.0 0.894 121.7 -40.3 53.6 51.1 12.1 -0.7 1.1 93 124 A G S S+ 0 0 53 1,-0.2 -2,-1.1 3,-0.0 3,-0.2 -0.369 109.2 73.4 88.0-176.6 11.9 0.8 -2.4 94 125 A E S S- 0 0 172 1,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.066 84.5 -90.8 68.5-171.7 13.5 -1.1 -5.4 95 126 A E - 0 0 147 -5,-0.1 2,-0.3 -4,-0.1 -5,-0.2 -0.829 45.0-157.6-141.6 96.0 12.4 -4.2 -7.3 96 127 A I E -D 89 0B 75 -7,-1.5 -7,-2.2 -2,-0.3 2,-0.3 -0.576 10.3-130.2 -91.4 137.2 14.1 -7.1 -5.5 97 128 A V E -D 88 0B 33 -2,-0.3 -9,-0.2 -9,-0.2 -1,-0.1 -0.640 12.6-125.7 -88.7 142.7 14.6 -10.3 -7.5 98 129 A D - 0 0 2 -11,-3.3 -11,-0.5 -2,-0.3 -37,-0.1 -0.798 18.4-164.2 -87.5 117.3 13.6 -13.7 -6.1 99 130 A P + 0 0 3 0, 0.0 2,-2.7 0, 0.0 3,-0.3 0.640 65.0 96.1 -77.8 -16.6 16.7 -16.0 -6.3 100 131 A H > + 0 0 0 1,-0.2 3,-0.7 67,-0.2 71,-0.4 -0.264 41.2 136.8 -77.2 57.5 14.9 -19.3 -5.9 101 132 A F G > + 0 0 2 -2,-2.7 3,-1.9 1,-0.2 7,-0.3 0.666 47.3 82.9 -76.1 -19.2 14.8 -20.0 -9.6 102 133 A W G 3 S+ 0 0 0 -3,-0.3 -1,-0.2 1,-0.3 6,-0.1 0.648 79.5 64.5 -68.6 -15.9 15.7 -23.7 -9.4 103 134 A F G < S+ 0 0 2 -3,-0.7 2,-1.2 1,-0.2 -1,-0.3 0.592 85.5 79.4 -82.3 -11.2 12.1 -24.8 -8.6 104 135 A S S X> S- 0 0 15 -3,-1.9 4,-1.9 1,-0.2 3,-1.3 -0.778 76.8-158.7 -90.5 88.5 11.2 -23.6 -12.1 105 136 A I H 3> S+ 0 0 3 -2,-1.2 4,-3.1 1,-0.3 5,-0.2 0.799 89.2 56.4 -39.6 -43.0 12.5 -26.6 -13.9 106 137 A P H 3> S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.951 109.2 46.2 -54.8 -48.9 12.8 -24.6 -17.1 107 138 A L H <> S+ 0 0 13 -3,-1.3 4,-2.2 -6,-0.2 -2,-0.2 0.875 112.8 50.2 -60.2 -39.4 15.0 -22.1 -15.4 108 139 A Y H X S+ 0 0 2 -4,-1.9 4,-3.0 -7,-0.3 -1,-0.2 0.908 106.6 53.7 -67.8 -41.8 17.1 -24.9 -13.9 109 140 A K H X S+ 0 0 21 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.862 107.9 53.2 -57.5 -35.8 17.5 -26.5 -17.3 110 141 A S H X S+ 0 0 4 -4,-1.7 4,-1.8 -5,-0.2 3,-0.4 0.953 108.4 47.9 -62.6 -50.9 18.7 -23.1 -18.4 111 142 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.917 107.2 57.0 -54.6 -47.0 21.3 -23.0 -15.5 112 143 A V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.858 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36.5 678 151 C Q H < S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.3 7,-0.2 0.934 108.6 51.9 -57.9 -47.4 23.3 -18.0 40.2 679 152 C K H < S+ 0 0 152 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.790 112.7 47.8 -58.5 -27.9 26.5 -15.9 40.6 680 153 C L H < S+ 0 0 48 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.911 120.1 35.0 -80.0 -45.9 25.1 -13.8 37.7 681 154 C L < + 0 0 26 -4,-3.1 4,-0.3 1,-0.2 -1,-0.3 -0.758 61.7 171.7-112.5 83.9 21.6 -13.4 39.1 682 155 C P S > S+ 0 0 101 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.845 83.1 55.9 -56.7 -33.1 21.9 -13.2 42.9 683 156 C A T 3 S+ 0 0 87 1,-0.2 3,-0.3 -3,-0.2 4,-0.3 0.919 115.0 34.3 -65.9 -46.6 18.2 -12.3 42.9 684 157 C K T 3> S+ 0 0 62 1,-0.2 4,-2.8 -7,-0.1 -1,-0.2 0.175 87.6 111.4 -96.5 17.6 17.1 -15.4 41.0 685 158 C A H <> S+ 0 0 17 -3,-0.7 4,-2.7 -4,-0.3 -1,-0.2 0.953 81.0 40.4 -55.6 -58.4 19.7 -17.6 42.6 686 159 C E H > S+ 0 0 152 -4,-0.4 4,-3.2 -3,-0.3 5,-0.2 0.918 114.2 54.2 -59.0 -45.0 17.3 -19.7 44.7 687 160 C M H > S+ 0 0 96 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.912 110.1 47.6 -54.3 -45.0 14.8 -19.8 41.8 688 161 C I H X S+ 0 0 2 -4,-2.8 4,-3.4 2,-0.2 -2,-0.2 0.926 109.7 52.5 -61.3 -46.6 17.6 -21.2 39.6 689 162 C Q H X S+ 0 0 79 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.949 109.5 49.4 -51.4 -52.5 18.6 -23.7 42.3 690 163 C K H X S+ 0 0 163 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.893 114.2 45.4 -54.2 -44.2 14.9 -24.8 42.4 691 164 C N H X S+ 0 0 56 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.869 110.8 54.4 -67.6 -38.2 15.0 -25.1 38.6 692 165 C T H X S+ 0 0 11 -4,-3.4 4,-3.4 2,-0.2 5,-0.2 0.958 106.6 49.8 -60.1 -53.5 18.4 -26.9 38.7 693 166 C E H X S+ 0 0 136 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.904 109.8 52.0 -53.4 -47.2 17.2 -29.6 41.1 694 167 C K H X S+ 0 0 139 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.966 113.9 41.9 -53.9 -57.1 14.2 -30.3 39.0 695 168 C Y H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.912 111.8 55.2 -59.2 -45.3 16.3 -30.7 35.8 696 169 C Q H X S+ 0 0 33 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.926 109.5 48.4 -50.6 -45.8 18.9 -32.7 37.7 697 170 C A H X S+ 0 0 40 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.872 109.1 53.2 -62.7 -37.9 16.0 -35.0 38.8 698 171 C Q H X S+ 0 0 63 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.869 106.2 51.7 -66.9 -38.2 14.8 -35.1 35.1 699 172 C L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.832 108.6 54.4 -65.2 -32.4 18.3 -36.2 34.0 700 173 C D H X S+ 0 0 79 -4,-1.6 4,-1.6 -5,-0.3 3,-0.4 0.982 107.6 46.1 -62.7 -59.0 18.0 -38.9 36.7 701 174 C D H X S+ 0 0 115 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.865 110.0 58.8 -50.5 -38.2 14.8 -40.3 35.4 702 175 C L H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.933 100.1 54.0 -57.1 -49.9 16.4 -40.1 32.0 703 176 C H H X S+ 0 0 61 -4,-2.0 4,-1.9 -3,-0.4 -1,-0.2 0.888 110.0 47.7 -54.2 -42.3 19.2 -42.4 33.1 704 177 C A H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 -1,-0.3 0.855 109.9 53.4 -67.5 -35.7 16.7 -45.0 34.2 705 178 C W H X S+ 0 0 48 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.926 107.5 49.7 -65.3 -46.5 14.8 -44.7 30.9 706 179 C V H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.940 111.9 49.8 -57.0 -49.7 17.9 -45.3 28.8 707 180 C E H X S+ 0 0 77 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.972 114.0 42.2 -51.7 -63.8 18.7 -48.4 30.8 708 181 C K H < S+ 0 0 155 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.812 117.5 50.3 -56.2 -31.5 15.2 -49.9 30.6 709 182 C E H >< S+ 0 0 51 -4,-2.3 3,-0.8 -5,-0.2 -1,-0.2 0.910 115.1 40.2 -73.9 -43.9 15.1 -48.9 26.9 710 183 C L H >< S+ 0 0 1 -4,-3.3 3,-2.9 1,-0.2 -2,-0.2 0.739 93.9 83.4 -77.2 -24.4 18.5 -50.4 26.0 711 184 C S T 3< S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.616 82.1 66.7 -56.8 -11.2 17.9 -53.5 28.2 712 185 C V T < S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.1 0.585 79.8 93.8 -88.0 -11.3 16.0 -54.9 25.2 713 186 C I S < S- 0 0 7 -3,-2.9 123,-0.2 1,-0.1 5,-0.1 -0.741 81.7-115.2 -90.0 125.3 19.1 -55.2 23.0 714 187 C P > - 0 0 44 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.085 20.4-118.5 -54.7 152.2 20.9 -58.5 22.9 715 188 C K G > S+ 0 0 134 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.880 116.6 49.6 -63.1 -40.3 24.5 -58.7 24.2 716 189 C E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.713 109.8 54.2 -69.9 -20.2 25.9 -59.8 20.9 717 190 C S G < S+ 0 0 37 -3,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.127 75.1 105.2-101.8 19.5 24.0 -56.9 19.3 718 191 C R < + 0 0 32 -3,-1.3 19,-2.1 -5,-0.1 2,-0.5 -0.280 49.8 116.7 -92.5 47.6 25.5 -54.3 21.6 719 192 C Y E -s 737 0M 51 -2,-0.5 2,-0.5 17,-0.2 19,-0.2 -0.945 46.0-165.8-122.6 112.2 27.7 -53.0 18.9 720 193 C L E -s 738 0M 1 17,-2.4 19,-2.4 -2,-0.5 2,-0.5 -0.825 2.2-162.7-101.3 129.7 27.3 -49.4 17.7 721 194 C V E +s 739 0M 0 -2,-0.5 50,-3.0 48,-0.2 19,-0.2 -0.952 18.2 166.9-113.8 122.1 28.8 -48.1 14.5 722 195 C T - 0 0 0 17,-2.1 20,-0.3 -2,-0.5 50,-0.1 -0.911 49.6-104.6-133.2 158.3 29.1 -44.3 14.0 723 196 C P S S- 0 0 1 0, 0.0 19,-0.4 0, 0.0 2,-0.3 0.795 101.4 -2.0 -49.6 -36.0 30.9 -41.9 11.7 724 197 C H S S- 0 0 0 17,-0.2 2,-0.5 16,-0.1 19,-0.2 -0.993 91.1 -76.1-156.9 157.7 33.4 -41.0 14.4 725 198 C D S S+ 0 0 24 17,-2.0 -67,-0.2 18,-1.3 15,-0.1 -0.388 76.2 118.6 -58.5 106.4 34.2 -41.7 18.0 726 199 C A + 0 0 0 -2,-0.5 -1,-0.2 -69,-0.1 -65,-0.2 0.322 62.1 62.2-148.7 -3.2 31.7 -39.7 20.0 727 200 C F > + 0 0 0 -3,-0.2 4,-3.4 1,-0.1 5,-0.3 0.098 61.7 112.8-118.8 19.9 29.8 -42.3 22.0 728 201 C N H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 8,-0.1 0.892 83.6 46.9 -60.1 -41.0 32.6 -43.7 24.2 729 202 C Y H > S+ 0 0 7 -71,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.846 114.1 50.9 -67.2 -33.6 31.0 -42.2 27.3 730 203 C F H >> S+ 0 0 3 2,-0.2 4,-1.3 -72,-0.2 3,-0.6 0.985 111.3 43.7 -65.3 -61.2 27.7 -43.7 26.1 731 204 C A H ><>S+ 0 0 7 -4,-3.4 5,-1.8 1,-0.3 3,-0.6 0.886 112.9 55.3 -51.1 -42.4 29.0 -47.2 25.4 732 205 C A H ><5S+ 0 0 73 -4,-2.2 3,-0.6 -5,-0.3 -1,-0.3 0.870 108.0 48.2 -59.3 -38.9 30.8 -47.0 28.7 733 206 C S H <<5S+ 0 0 32 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.689 121.9 32.9 -78.1 -19.0 27.6 -46.1 30.6 734 207 C Y T <<5S- 0 0 4 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 -0.142 112.2 -99.6-134.6 40.6 25.5 -48.9 29.0 735 208 C D T < 5S+ 0 0 98 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.919 73.7 146.5 40.3 72.0 27.9 -51.9 28.4 736 209 C F < - 0 0 18 -5,-1.8 2,-0.5 -8,-0.1 -17,-0.2 -0.907 47.3-134.8-134.9 161.2 28.4 -51.2 24.7 737 210 C T E -s 719 0M 48 -19,-2.1 -17,-2.4 -2,-0.3 2,-0.5 -0.975 22.3-162.6-120.3 121.4 31.1 -51.5 22.0 738 211 C L E -s 720 0M 21 -2,-0.5 2,-0.3 -19,-0.2 -17,-0.2 -0.885 8.5-178.3-110.8 129.3 31.7 -48.5 19.7 739 212 C Y E +s 721 0M 45 -19,-2.4 -17,-2.1 -2,-0.5 -15,-0.1 -0.903 5.4 173.9-118.1 152.0 33.5 -48.5 16.4 740 213 C A - 0 0 17 -2,-0.3 -16,-0.1 -19,-0.2 -15,-0.1 -0.952 37.8-137.9-159.0 137.3 34.1 -45.6 14.1 741 214 C P S S+ 0 0 0 0, 0.0 10,-0.3 0, 0.0 2,-0.3 0.608 97.0 49.1 -68.6 -12.0 36.1 -45.0 10.8 742 215 C Q S S- 0 0 5 -19,-0.4 -17,-2.0 -20,-0.3 -20,-0.1 -0.946 85.7-118.6-130.1 152.9 37.2 -41.7 12.4 743 216 C G - 0 0 32 -2,-0.3 -18,-1.3 2,-0.2 -1,-0.2 0.423 52.7 -69.2 -66.9-152.1 38.7 -40.8 15.8 744 217 C V S S+ 0 0 25 -20,-0.2 2,-0.3 -18,-0.1 -20,-0.1 0.884 117.4 56.0 -75.7 -40.4 37.2 -38.5 18.5 745 218 C S S S- 0 0 44 1,-0.1 -2,-0.2 2,-0.1 -20,-0.1 -0.715 70.3-147.3 -95.6 146.4 37.7 -35.3 16.5 746 219 C T S S+ 0 0 14 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.319 74.5 102.3 -91.7 7.2 36.2 -34.8 13.1 747 220 C D + 0 0 86 2,-0.1 2,-0.3 -152,-0.1 -1,-0.2 -0.382 69.0 72.9 -90.5 57.7 39.1 -32.6 12.1 748 221 C S S S- 0 0 58 -2,-1.3 2,-0.1 -5,-0.1 3,-0.0 -0.980 87.9 -88.6-164.4 153.2 41.0 -35.2 10.0 749 222 C E - 0 0 170 -2,-0.3 2,-1.0 1,-0.1 -2,-0.1 -0.440 51.5-105.0 -66.4 135.7 40.8 -37.1 6.7 750 223 C V - 0 0 62 -2,-0.1 -8,-0.1 1,-0.1 -1,-0.1 -0.490 42.8-128.7 -67.0 101.5 38.8 -40.4 6.9 751 224 C A > - 0 0 25 -2,-1.0 4,-1.5 -10,-0.3 5,-0.1 -0.207 6.1-144.6 -57.6 136.0 41.6 -43.0 7.0 752 225 C N H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.805 101.2 52.7 -70.3 -30.4 41.3 -45.8 4.5 753 226 C S H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.812 107.1 51.5 -75.1 -31.9 42.8 -48.3 6.9 754 227 C D H > S+ 0 0 69 2,-0.2 4,-2.7 -13,-0.2 -2,-0.2 0.843 106.1 55.7 -72.3 -35.0 40.3 -47.3 9.6 755 228 C M H X S+ 0 0 27 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.969 112.5 41.2 -57.2 -55.3 37.4 -47.9 7.2 756 229 C I H X S+ 0 0 82 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.932 111.5 56.6 -57.5 -49.2 38.6 -51.4 6.5 757 230 C E H X S+ 0 0 105 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.919 111.4 43.9 -46.9 -48.8 39.4 -51.8 10.2 758 231 C T H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.923 111.7 54.3 -63.6 -45.9 35.7 -51.0 10.8 759 232 C V H X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 3,-0.4 0.965 108.7 46.8 -51.1 -60.4 34.6 -53.2 7.9 760 233 C N H X S+ 0 0 51 -4,-3.3 4,-2.3 1,-0.3 -1,-0.2 0.855 110.0 55.3 -51.8 -39.2 36.4 -56.2 9.3 761 234 C L H X S+ 0 0 29 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.3 0.913 105.6 50.9 -61.3 -44.4 34.9 -55.4 12.7 762 235 C I H X>S+ 0 0 5 -4,-2.4 5,-1.7 -3,-0.4 4,-0.7 0.893 112.5 48.0 -57.5 -40.2 31.4 -55.5 11.2 763 236 C I H <5S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.850 108.0 54.5 -70.2 -36.4 32.3 -58.8 9.7 764 237 C D H <5S+ 0 0 107 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 121.9 28.5 -66.8 -34.2 33.6 -60.2 13.0 765 238 C H H <5S- 0 0 60 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.314 99.4-127.5-112.2 6.2 30.4 -59.4 14.9 766 239 C N T <5 + 0 0 117 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.931 40.9 175.1 46.3 56.1 27.9 -59.7 12.0 767 240 C I < - 0 0 18 -5,-1.7 -48,-0.1 -6,-0.1 -1,-0.1 0.894 13.6-169.4 -65.7 -46.7 26.7 -56.2 13.0 768 241 C K + 0 0 142 -6,-0.2 28,-2.0 26,-0.1 2,-0.3 0.531 61.3 69.0 70.4 6.1 24.2 -55.7 10.1 769 242 C A E -t 796 0N 2 26,-0.2 2,-0.4 -50,-0.1 -48,-0.2 -0.905 51.9-176.7-160.2 128.5 23.7 -52.0 11.0 770 243 C I E -t 797 0N 0 26,-1.3 28,-2.0 -2,-0.3 -48,-0.2 -0.987 23.8-134.2-126.4 137.7 25.8 -48.8 10.9 771 244 C F E -t 798 0N 1 -50,-3.0 2,-0.4 -2,-0.4 28,-0.1 -0.430 8.1-145.8 -98.0 164.4 24.5 -45.5 12.2 772 245 C T - 0 0 1 26,-0.6 33,-3.7 31,-0.2 2,-0.3 -0.960 6.4-151.2-130.7 142.3 24.5 -41.9 10.9 773 246 C E B > -u 805 0O 0 -2,-0.4 3,-0.6 31,-0.3 33,-0.2 -0.757 21.4-126.8-113.4 161.0 24.9 -38.5 12.5 774 247 C S T 3 S+ 0 0 25 31,-1.7 32,-0.1 -2,-0.3 -1,-0.1 0.551 102.0 59.8 -82.5 -8.8 23.5 -35.0 11.6 775 248 C T T 3 S+ 0 0 19 30,-0.3 2,-0.2 34,-0.1 -1,-0.2 0.498 101.5 52.0-102.3 -4.8 26.9 -33.3 11.8 776 249 C T S < S- 0 0 20 -3,-0.6 -30,-0.0 -184,-0.0 -4,-0.0 -0.751 94.1 -81.2-127.9 176.5 28.8 -35.2 9.1 777 250 C N > - 0 0 79 -2,-0.2 3,-1.9 1,-0.1 4,-0.4 -0.678 30.5-149.1 -85.3 106.2 28.5 -36.4 5.5 778 251 C P T >> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.624 87.2 80.6 -47.5 -19.9 26.4 -39.5 5.3 779 252 C E H >> S+ 0 0 52 -524,-3.4 4,-3.2 1,-0.3 3,-0.5 0.913 80.6 63.3 -56.9 -46.4 28.4 -40.7 2.3 780 253 C R H <> S+ 0 0 41 -3,-1.9 4,-1.3 -525,-0.3 -1,-0.3 0.852 107.0 44.3 -46.6 -40.1 31.2 -42.0 4.6 781 254 C M H <> S+ 0 0 1 -3,-0.8 4,-1.7 -4,-0.4 -1,-0.3 0.798 113.6 49.0 -78.7 -29.7 28.8 -44.5 6.0 782 255 C K H X S+ 0 0 1 -4,-1.4 3,-1.4 1,-0.2 4,-0.5 0.963 111.5 44.1 -60.6 -53.1 31.2 -54.4 3.6 789 262 C K H 3< S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 101.9 69.0 -63.3 -26.0 29.2 -55.7 0.7 790 263 C A H 3< S+ 0 0 83 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.813 111.3 32.8 -61.3 -29.6 32.5 -55.7 -1.2 791 264 C K H << S- 0 0 127 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.3 0.414 136.1 -95.3-101.1 -4.0 33.4 -58.6 1.1 792 265 C G S < S+ 0 0 62 -4,-0.5 -3,-0.2 1,-0.2 2,-0.2 0.945 71.7 154.1 48.6 82.1 29.7 -59.6 1.1 793 266 C G - 0 0 27 -5,-0.2 2,-0.2 -8,-0.1 -1,-0.2 -0.157 37.9-149.3 102.5 95.5 28.8 -58.3 3.4 794 267 C Q + 0 0 172 -2,-0.2 2,-0.4 -3,-0.1 -26,-0.1 -0.716 26.9 152.3-154.4 101.9 25.4 -57.0 4.4 795 268 C V - 0 0 8 -2,-0.2 2,-0.7 -10,-0.2 -26,-0.2 -0.992 36.6-135.7-134.1 127.1 24.8 -54.0 6.6 796 269 C E E -t 769 0N 119 -28,-2.0 -26,-1.3 -2,-0.4 2,-0.9 -0.715 19.4-143.6 -83.1 112.8 21.8 -51.7 6.6 797 270 C V E -t 770 0N 18 -2,-0.7 2,-1.0 -28,-0.2 3,-0.4 -0.672 11.5-145.8 -80.1 106.5 23.0 -48.1 6.8 798 271 C V E +t 771 0N 6 -28,-2.0 -26,-0.6 -2,-0.9 -1,-0.1 -0.627 61.7 104.8 -77.8 103.9 20.5 -46.2 9.0 799 272 C T > + 0 0 8 -2,-1.0 4,-0.9 -28,-0.1 -1,-0.2 0.360 33.6 129.5-137.2 -70.0 20.2 -42.7 7.6 800 273 C G T 4 S- 0 0 16 -3,-0.4 -542,-0.7 2,-0.1 2,-0.4 -0.133 78.3 -37.3 46.5-127.8 17.0 -42.4 5.7 801 274 C E T 4 S- 0 0 82 -558,-0.1 -558,-0.1 -544,-0.1 -1,-0.1 -0.985 128.4 -3.2-134.9 122.4 15.0 -39.3 6.8 802 275 C G T 4 S+ 0 0 18 -2,-0.4 2,-0.7 1,-0.1 -2,-0.1 0.552 100.6 117.5 72.1 6.7 14.9 -38.1 10.4 803 276 C K < + 0 0 75 -4,-0.9 2,-0.4 -30,-0.0 -31,-0.2 -0.587 41.4 122.1-103.6 67.3 17.0 -41.2 11.1 804 277 C E - 0 0 31 -2,-0.7 2,-0.3 -33,-0.1 -31,-0.3 -0.982 56.4-131.8-131.3 142.0 20.1 -39.4 12.4 805 278 C L B -u 773 0O 1 -33,-3.7 -31,-1.7 -2,-0.4 2,-0.8 -0.714 20.5-133.2 -87.8 141.2 22.0 -39.6 15.7 806 279 C F + 0 0 19 -2,-0.3 21,-0.1 17,-0.3 5,-0.1 -0.841 44.7 146.3 -98.1 105.5 22.9 -36.3 17.3 807 280 C S S S+ 0 0 0 -2,-0.8 -1,-0.2 3,-0.1 3,-0.1 0.862 75.5 22.5-100.9 -55.9 26.6 -36.4 18.4 808 281 C D S S+ 0 0 0 1,-0.1 2,-0.3 -217,-0.1 -217,-0.1 0.251 128.3 15.0-103.6 11.0 28.1 -32.9 18.0 809 282 C S - 0 0 5 -219,-0.1 -35,-0.2 -216,-0.1 -1,-0.1 -0.967 68.0-113.9-172.8 159.1 24.8 -31.0 18.2 810 283 C L - 0 0 2 -2,-0.3 -219,-0.2 1,-0.1 8,-0.2 -0.196 50.2 -85.3 -82.5-175.3 21.1 -30.9 19.1 811 284 C A - 0 0 10 6,-3.5 -1,-0.1 1,-0.2 -220,-0.1 -0.678 54.5 -84.6 -93.9 153.8 18.4 -30.4 16.5 812 285 C P > - 0 0 35 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 -0.033 59.7 -83.1 -49.5 158.4 17.2 -27.0 15.4 813 286 C E T 3 S+ 0 0 76 1,-0.2 5,-0.1 -3,-0.1 -594,-0.1 0.624 113.2 62.1 -34.7 -33.2 14.6 -25.3 17.6 814 287 C G T 3 S+ 0 0 4 3,-0.1 -1,-0.2 4,-0.1 2,-0.1 0.845 93.6 21.2 -74.3 -44.8 11.6 -27.0 16.2 815 288 C E S < S- 0 0 41 -3,-0.6 -4,-0.1 -574,-0.1 3,-0.1 -0.382 97.9 -45.1-120.3-161.8 11.2 -30.8 16.4 816 289 C E S > S+ 0 0 73 1,-0.3 2,-1.8 2,-0.1 3,-0.6 0.664 123.5 53.1 -39.6 -51.5 12.4 -33.8 18.4 817 290 C G T 3 S+ 0 0 2 1,-0.2 -6,-3.5 6,-0.1 -1,-0.3 -0.327 82.5 110.8 -86.8 52.8 16.1 -33.4 18.7 818 291 C D T 3 S+ 0 0 42 -2,-1.8 -1,-0.2 -8,-0.2 2,-0.1 0.908 73.5 34.4 -85.8 -66.1 15.2 -29.9 20.1 819 292 C T S <> S- 0 0 22 -3,-0.6 4,-3.1 -4,-0.1 5,-0.2 -0.457 83.7-114.4 -94.8 163.8 16.3 -30.5 23.7 820 293 C F H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.954 117.0 45.6 -58.0 -55.3 19.1 -32.5 25.2 821 294 C I H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 116.6 46.4 -57.6 -42.0 16.8 -35.0 27.0 822 295 C D H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 108.4 55.8 -67.4 -40.2 14.8 -35.3 23.8 823 296 C M H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -17,-0.3 0.858 108.1 50.6 -57.3 -36.3 17.9 -35.7 21.7 824 297 C Y H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.958 109.6 46.9 -68.7 -52.2 18.9 -38.6 24.0 825 298 C K H X S+ 0 0 80 -4,-2.1 4,-2.9 1,-0.2 5,-0.4 0.900 111.3 54.0 -56.0 -43.2 15.5 -40.4 23.7 826 299 C H H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.945 112.2 43.0 -55.2 -52.2 15.7 -39.9 19.9 827 300 C N H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.920 116.5 48.4 -60.4 -45.8 19.2 -41.5 19.8 828 301 C V H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 5,-0.2 0.968 113.0 43.8 -62.2 -58.8 18.2 -44.3 22.2 829 302 C K H X S+ 0 0 117 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.905 112.2 55.6 -53.6 -44.4 15.0 -45.4 20.5 830 303 C L H X S+ 0 0 20 -4,-2.0 4,-1.1 -5,-0.4 -1,-0.2 0.917 107.6 49.9 -54.6 -46.1 16.6 -45.1 17.1 831 304 C M H >X S+ 0 0 1 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.950 109.4 48.5 -59.4 -54.1 19.4 -47.5 18.3 832 305 C V H >X S+ 0 0 16 -4,-2.1 4,-3.4 1,-0.2 3,-1.2 0.889 103.0 62.8 -57.4 -41.7 17.1 -50.2 19.6 833 306 C K H 3< S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 117.3 27.5 -54.6 -38.8 14.9 -50.3 16.6 834 307 C Y H << S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.319 128.9 42.8-107.6 6.5 17.7 -51.4 14.3 835 308 C L H << 0 0 12 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.2 0.587 360.0 360.0-123.5 -22.7 19.8 -53.2 17.0 836 309 C K < 0 0 135 -4,-3.4 -3,-0.1 -5,-0.2 -123,-0.1 0.806 360.0 360.0 -81.3 360.0 17.2 -55.2 19.0