==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-DEC-07 3BTI . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.A.SCHUMACHER,J.T.SCHUMAN,R.G.BRENNAN . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 81.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 30 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 4 2 0 0 3 0 1 4 0 2 8 0 1 0 2 0 4 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 B N 0 0 130 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.3 -97.6 -75.3 11.1 2 3 B L >> + 0 0 85 3,-0.1 4,-1.2 2,-0.1 3,-0.7 0.835 360.0 33.8-102.8 -62.2 -94.2 -76.4 9.9 3 4 B K H >> S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.953 120.6 48.2 -60.7 -55.4 -93.1 -74.1 7.1 4 5 B D H 34 S+ 0 0 105 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.508 112.7 52.6 -67.4 -1.4 -94.7 -71.0 8.5 5 6 B K H <> S+ 0 0 119 -3,-0.7 4,-0.5 2,-0.1 -1,-0.3 0.646 108.5 48.8-102.4 -25.0 -93.0 -71.9 11.8 6 7 B I H XX S+ 0 0 3 -4,-1.2 4,-3.3 -3,-0.9 3,-1.4 0.931 110.6 48.4 -77.5 -51.8 -89.6 -72.2 10.2 7 8 B L H 3X S+ 0 0 28 -4,-2.5 4,-1.7 1,-0.3 5,-0.2 0.732 106.7 62.7 -60.3 -21.5 -89.8 -68.9 8.4 8 9 B G H 3> S+ 0 0 45 -5,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.764 113.4 30.4 -75.8 -27.4 -90.9 -67.6 11.8 9 10 B V H - 0 0 65 -2,-0.5 4,-1.8 1,-0.1 3,-0.2 -0.795 29.1-121.6-109.6 151.5 -77.3 -71.4 10.9 24 25 B T H > S+ 0 0 76 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.822 115.4 59.7 -56.4 -32.4 -79.7 -74.0 9.5 25 26 B G H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.955 102.9 50.2 -61.8 -49.3 -78.9 -76.0 12.6 26 27 B E H > S+ 0 0 77 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.915 109.8 50.1 -53.8 -49.5 -80.2 -73.2 14.8 27 28 B I H < S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 113.1 46.1 -55.3 -49.8 -83.4 -72.8 12.9 28 29 B V H ><>S+ 0 0 31 -4,-2.2 5,-1.8 1,-0.2 3,-0.9 0.808 109.4 57.1 -65.2 -30.0 -84.1 -76.6 13.1 29 30 B K H ><5S+ 0 0 174 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.910 109.6 41.2 -70.4 -42.9 -83.1 -76.6 16.8 30 31 B L T 3<5S+ 0 0 118 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.200 118.9 49.3 -97.7 41.9 -85.7 -74.0 17.9 31 32 B S T < 5S- 0 0 25 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.263 101.1-123.7-154.8 -0.1 -88.4 -75.6 15.7 32 33 B E T < 5 + 0 0 173 -3,-0.6 -3,-0.2 -4,-0.4 2,-0.1 0.888 68.5 136.0 47.6 44.5 -88.2 -79.3 16.5 33 34 B S < - 0 0 27 -5,-1.8 2,-0.2 -6,-0.1 -1,-0.1 -0.395 43.8-140.6-110.1-172.8 -87.5 -79.9 12.8 34 35 B S - 0 0 54 -2,-0.1 4,-0.3 -3,-0.1 -1,-0.1 -0.557 35.3 -90.3-133.2-164.4 -85.1 -82.0 10.7 35 36 B K S > S+ 0 0 156 -2,-0.2 3,-0.9 2,-0.1 -1,-0.0 0.805 114.6 65.1 -85.4 -33.1 -83.1 -81.8 7.5 36 37 B G T 3 S+ 0 0 32 1,-0.2 4,-0.4 3,-0.1 -1,-0.1 0.926 85.7 68.8 -55.0 -50.3 -85.9 -83.1 5.2 37 38 B N T 3 >S+ 0 0 54 1,-0.2 2,-1.3 2,-0.1 5,-0.6 0.836 96.1 62.8 -37.4 -40.0 -88.2 -80.2 5.8 38 39 B L T < 5S+ 0 0 43 -3,-0.9 -1,-0.2 -4,-0.3 5,-0.1 -0.675 92.1 61.5 -93.2 84.4 -85.6 -78.2 3.8 39 40 B Y T 5S+ 0 0 183 -2,-1.3 -1,-0.1 5,-0.1 -2,-0.1 0.149 92.7 42.7-161.1 -68.4 -85.7 -79.9 0.4 40 41 B Y T 5S+ 0 0 175 -4,-0.4 3,-0.2 2,-0.1 -2,-0.1 0.990 138.5 0.9 -59.3 -68.0 -88.9 -79.8 -1.6 41 42 B H T 5S+ 0 0 101 -4,-0.4 2,-0.8 1,-0.2 -1,-0.1 0.757 134.7 55.7 -94.4 -29.6 -90.0 -76.2 -1.1 42 43 B F < + 0 0 10 -5,-0.6 -1,-0.2 1,-0.1 -2,-0.1 -0.776 69.2 155.3-107.5 85.7 -87.1 -75.1 1.1 43 44 B K + 0 0 128 -2,-0.8 -1,-0.1 -3,-0.2 -2,-0.1 0.856 53.3 9.1 -73.1-107.5 -84.1 -75.9 -1.0 44 45 B T S > S- 0 0 61 1,-0.1 4,-1.7 -5,-0.1 3,-0.4 -0.191 74.7-110.2 -73.7 166.6 -80.9 -73.8 -0.3 45 46 B K H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.908 121.3 55.1 -64.2 -42.1 -80.3 -71.4 2.6 46 47 B E H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.731 104.6 56.1 -63.4 -19.6 -80.4 -68.5 0.2 47 48 B N H > S+ 0 0 28 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.937 105.9 48.1 -75.5 -48.0 -83.8 -69.8 -0.9 48 49 B L H X S+ 0 0 9 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.872 117.6 45.5 -57.1 -37.8 -85.1 -69.6 2.7 49 50 B F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.968 110.0 48.7 -71.9 -57.5 -83.6 -66.1 2.8 50 51 B L H X S+ 0 0 16 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.718 112.1 54.9 -56.1 -20.3 -84.9 -64.8 -0.5 51 52 B E H X S+ 0 0 72 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.911 104.0 50.8 -78.7 -47.4 -88.2 -66.2 0.5 52 53 B I H X S+ 0 0 3 -4,-1.7 4,-2.0 1,-0.2 5,-0.3 0.845 109.7 52.3 -60.9 -31.8 -88.3 -64.3 3.8 53 54 B L H X S+ 0 0 0 -4,-2.1 4,-4.3 2,-0.2 5,-0.3 0.978 107.5 51.8 -67.6 -49.4 -87.6 -61.1 1.9 54 55 B N H X S+ 0 0 66 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.910 113.7 43.0 -49.4 -51.7 -90.4 -61.8 -0.5 55 56 B I H >X S+ 0 0 60 -4,-2.6 4,-2.4 2,-0.2 3,-1.4 0.995 118.0 44.2 -56.7 -70.3 -92.9 -62.2 2.4 56 57 B E H 3X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.3 5,-0.3 0.870 110.6 55.7 -38.2 -56.8 -91.6 -59.3 4.4 57 58 B Q H 3X S+ 0 0 2 -4,-4.3 4,-3.4 -5,-0.3 -1,-0.3 0.877 112.5 43.1 -47.9 -42.3 -91.5 -57.2 1.3 58 59 B S H < S+ 0 0 49 -4,-0.9 3,-1.9 1,-0.2 -3,-0.1 0.577 75.2 81.0 -85.5 -9.5 -101.4 -44.5 1.9 69 70 B I T 3 S+ 0 0 122 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.844 79.3 69.6 -62.2 -32.8 -105.0 -43.4 1.8 70 71 B K T 3 S+ 0 0 175 -3,-0.5 2,-0.5 1,-0.1 -1,-0.3 0.500 89.8 80.9 -63.3 -1.0 -104.0 -41.0 4.6 71 72 B A < - 0 0 7 -3,-1.9 6,-0.1 1,-0.2 -1,-0.1 -0.939 57.1-177.1-115.8 118.8 -102.1 -39.3 1.8 72 73 B K + 0 0 159 -2,-0.5 2,-0.2 1,-0.1 -1,-0.2 0.993 68.1 29.9 -75.2 -70.5 -103.9 -36.9 -0.6 73 74 B T S >> S- 0 0 53 1,-0.1 4,-1.7 65,-0.0 3,-1.6 -0.601 84.1-114.3 -92.1 156.9 -101.4 -35.7 -3.2 74 75 B N H 3> S+ 0 0 4 1,-0.3 4,-3.2 2,-0.3 5,-0.2 0.867 116.4 65.9 -55.3 -38.7 -98.4 -37.8 -4.4 75 76 B R H 3> S+ 0 0 95 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.838 107.6 42.1 -53.2 -31.2 -96.1 -35.3 -2.9 76 77 B E H <> S+ 0 0 63 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.812 108.9 57.5 -83.0 -33.9 -97.6 -36.5 0.4 77 78 B K H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.869 106.3 52.2 -62.2 -34.0 -97.4 -40.1 -0.8 78 79 B F H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.961 112.6 41.8 -66.6 -52.2 -93.7 -39.5 -1.2 79 80 B Y H X S+ 0 0 44 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.882 116.1 50.1 -59.0 -45.5 -93.2 -38.1 2.4 80 81 B L H X S+ 0 0 28 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.842 107.8 49.9 -65.8 -42.2 -95.4 -40.7 3.9 81 82 B Y H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.936 113.5 48.2 -64.4 -42.7 -93.9 -43.8 2.3 82 83 B N H < S+ 0 0 0 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.767 115.1 46.4 -67.5 -26.4 -90.5 -42.5 3.4 83 84 B E H >X S+ 0 0 52 -4,-1.2 4,-0.7 2,-0.2 3,-0.6 0.893 111.4 48.5 -82.6 -43.6 -91.8 -41.9 6.9 84 85 B L H >X S+ 0 0 25 -4,-3.0 4,-1.8 1,-0.2 3,-1.4 0.895 103.1 61.6 -62.7 -41.0 -93.6 -45.3 7.3 85 86 B S H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.781 101.3 55.5 -56.9 -27.3 -90.6 -47.2 6.1 86 87 B L H <4 S+ 0 0 9 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.765 116.3 35.1 -76.2 -27.3 -88.8 -45.8 9.1 87 88 B T H << S+ 0 0 83 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.519 92.5 109.8-106.7 -5.9 -91.5 -47.1 11.5 88 89 B T < - 0 0 15 -4,-1.8 -28,-0.0 1,-0.1 -3,-0.0 -0.122 56.3-151.7 -63.1 165.3 -92.4 -50.4 9.8 89 90 B E S S+ 0 0 100 -33,-0.1 2,-0.4 3,-0.0 -1,-0.1 0.147 70.4 99.5-119.9 10.1 -91.4 -53.8 11.4 90 91 B Y S S- 0 0 55 -31,-0.1 2,-3.6 -33,-0.1 -2,-0.1 -0.855 98.1 -37.5-109.6 135.2 -91.4 -55.2 7.9 91 92 B Y S >> S+ 0 0 13 -2,-0.4 3,-3.0 1,-0.2 4,-0.5 -0.219 118.2 79.6 59.2 -60.3 -88.4 -55.9 5.6 92 93 B Y T 34 S+ 0 0 15 -2,-3.6 3,-0.4 1,-0.3 -1,-0.2 0.672 85.2 61.7 -50.8 -22.9 -86.5 -52.8 6.6 93 94 B P T 34 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.612 101.9 53.7 -80.8 -9.2 -85.2 -54.5 9.8 94 95 B L T <> S+ 0 0 1 -3,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.546 73.6 104.4 -98.1 -10.4 -83.5 -57.1 7.6 95 96 B Q H X S+ 0 0 2 -4,-0.5 4,-2.6 -3,-0.4 -1,-0.2 0.831 81.5 51.8 -40.5 -41.5 -81.5 -54.6 5.5 96 97 B N H > S+ 0 0 14 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.982 108.2 49.4 -61.5 -53.4 -78.4 -55.6 7.5 97 98 B A H > S+ 0 0 1 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.906 111.8 51.9 -49.8 -43.0 -78.9 -59.3 6.8 98 99 B I H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.939 100.6 58.8 -60.1 -50.0 -79.4 -58.3 3.2 99 100 B I H < S+ 0 0 11 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.878 112.4 42.9 -45.4 -46.5 -76.1 -56.3 3.0 100 101 B E H >X S+ 0 0 5 -4,-1.8 3,-3.0 1,-0.2 4,-2.3 0.992 114.0 48.4 -64.1 -62.6 -74.3 -59.5 4.0 101 102 B F H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.768 106.8 58.2 -51.4 -28.7 -76.2 -61.8 1.8 102 103 B Y T 3< S+ 0 0 35 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.487 115.1 35.8 -82.8 -1.0 -75.7 -59.4 -1.2 103 104 B T T <4 S+ 0 0 24 -3,-3.0 3,-0.3 -5,-0.2 -2,-0.2 0.571 109.4 60.3-118.8 -25.2 -72.0 -59.7 -0.8 104 105 B E S < S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.389 112.2 46.2 -82.8 3.6 -71.7 -63.4 0.2 105 106 B Y + 0 0 59 -5,-0.3 -1,-0.3 -4,-0.2 6,-0.0 -0.602 69.3 110.4-148.9 81.1 -73.4 -64.1 -3.1 106 107 B Y S S+ 0 0 174 -3,-0.3 -2,-0.1 -2,-0.1 -1,-0.1 0.631 79.6 49.3-120.2 -35.5 -71.9 -62.3 -6.1 107 108 B K S S+ 0 0 179 2,-0.0 2,-0.6 1,-0.0 -2,-0.1 0.895 96.4 78.6 -73.4 -43.0 -70.2 -65.1 -8.1 108 109 B T > - 0 0 52 1,-0.2 3,-0.8 2,-0.1 4,-0.3 -0.572 61.9-170.4 -70.4 112.1 -73.3 -67.3 -7.9 109 110 B N T 3 S+ 0 0 122 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.435 72.0 89.6 -83.8 0.4 -75.7 -65.9 -10.6 110 111 B S T 3 S+ 0 0 55 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.534 80.0 68.3 -71.9 -4.5 -78.5 -68.2 -9.3 111 112 B I S X> S+ 0 0 1 -3,-0.8 3,-1.8 1,-0.2 4,-1.2 0.984 93.6 46.0 -75.5 -73.2 -79.2 -65.2 -7.0 112 113 B N T 34 S+ 0 0 62 -4,-0.3 4,-0.4 1,-0.3 -1,-0.2 0.382 87.5 96.7 -55.4 7.7 -80.5 -62.5 -9.4 113 114 B E T 34 S- 0 0 140 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.629 117.3 -5.5 -72.9 -14.4 -82.6 -65.3 -10.8 114 115 B K T <> S+ 0 0 56 -3,-1.8 4,-0.6 -4,-0.0 -2,-0.2 0.178 119.6 92.3-157.5 -1.3 -85.4 -64.0 -8.6 115 116 B M H >X S+ 0 0 8 -4,-1.2 3,-1.5 1,-0.2 4,-1.3 0.967 88.1 44.8 -67.0 -56.5 -83.4 -61.3 -6.8 116 117 B N H 3> S+ 0 0 57 -4,-0.4 4,-0.9 1,-0.3 -1,-0.2 0.672 101.5 68.7 -65.6 -14.4 -84.2 -58.5 -9.1 117 118 B K H 3> S+ 0 0 155 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.817 104.8 43.7 -70.7 -27.7 -87.8 -59.5 -9.1 118 119 B L H S+ 0 0 0 -4,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.805 111.2 58.4 -72.2 -29.7 -91.6 -45.0 -5.9 127 128 B H H X S+ 0 0 48 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.883 110.0 40.8 -68.3 -40.3 -92.4 -45.8 -9.6 128 129 B V H X S+ 0 0 64 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.956 115.8 50.6 -70.8 -51.9 -96.2 -45.3 -9.2 129 130 B I H X S+ 0 0 6 -4,-1.8 4,-0.6 -5,-0.3 -2,-0.2 0.905 112.7 45.4 -51.7 -49.4 -95.9 -42.3 -7.0 130 131 B F H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 11,-0.3 0.796 119.7 41.9 -68.0 -28.5 -93.5 -40.5 -9.4 131 132 B K H >X S+ 0 0 106 -4,-1.2 3,-1.9 -3,-0.3 4,-1.8 0.946 112.2 47.9 -81.6 -56.9 -95.6 -41.4 -12.4 132 133 B E H 3X S+ 0 0 89 -4,-3.1 4,-2.0 1,-0.3 6,-0.2 0.659 109.0 63.2 -58.9 -16.0 -99.1 -40.8 -11.2 133 134 B G H 3<>S+ 0 0 0 -4,-0.6 5,-2.5 -5,-0.4 6,-1.0 0.785 97.7 51.3 -80.6 -30.8 -97.5 -37.6 -10.0 134 135 B N H X45S+ 0 0 47 -3,-1.9 3,-1.9 -4,-0.4 -2,-0.2 0.944 110.4 50.2 -68.5 -45.5 -96.8 -36.6 -13.6 135 136 B L H 3<5S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.949 110.9 47.1 -53.9 -54.2 -100.4 -37.2 -14.4 136 137 B N T 3<5S- 0 0 101 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.302 112.3-127.7 -73.7 14.0 -101.5 -35.1 -11.5 137 138 B G T < 5 + 0 0 58 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.720 67.6 138.6 46.0 25.0 -99.0 -32.6 -12.8 138 139 B E S > + 0 0 46 1,-0.2 4,-1.7 2,-0.1 3,-1.3 -0.348 67.0 163.6-111.9 51.8 -86.6 -40.5 -16.2 144 145 B V H 3> + 0 0 17 -3,-0.3 4,-2.9 1,-0.3 -1,-0.2 0.741 69.6 56.2 -38.2 -40.3 -89.0 -42.0 -13.6 145 146 B N H 3> S+ 0 0 86 2,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.875 106.9 44.8 -66.3 -42.4 -87.0 -45.2 -13.4 146 147 B A H <> S+ 0 0 17 -3,-1.3 4,-3.7 2,-0.2 5,-0.2 0.974 118.2 45.6 -64.1 -53.8 -83.6 -43.7 -12.4 147 148 B V H X S+ 0 0 0 -4,-1.7 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2,-0.4 -4,-0.1 -1,-0.3 0.285 91.6 70.6 -70.3 12.5 -1.9 -37.5 29.4 258 72 D A < - 0 0 4 -3,-1.7 -1,-0.1 1,-0.1 6,-0.1 -0.961 61.3-172.5-133.8 113.0 -2.2 -39.9 26.5 259 73 D K + 0 0 171 -2,-0.4 -1,-0.1 4,-0.0 2,-0.1 0.962 67.8 51.1 -70.0 -56.9 0.1 -39.4 23.6 260 74 D T S > S- 0 0 46 1,-0.1 4,-2.1 65,-0.0 3,-0.4 -0.438 84.6-120.7 -83.2 157.1 -1.2 -41.9 21.0 261 75 D N H > S+ 0 0 15 1,-0.2 4,-1.0 2,-0.2 59,-0.1 0.653 112.3 64.4 -73.1 -10.8 -4.8 -42.1 19.9 262 76 D R H > S+ 0 0 107 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.903 106.2 40.8 -76.1 -40.7 -4.8 -45.7 21.1 263 77 D E H > S+ 0 0 61 -3,-0.4 4,-2.8 1,-0.2 5,-0.3 0.932 109.3 59.4 -70.1 -47.1 -4.2 -44.6 24.7 264 78 D K H X S+ 0 0 33 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.842 105.3 52.0 -49.0 -36.9 -6.6 -41.7 24.4 265 79 D F H X S+ 0 0 0 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.993 109.8 46.1 -62.0 -63.8 -9.2 -44.4 23.6 266 80 D Y H X S+ 0 0 40 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.821 115.8 48.4 -44.6 -43.1 -8.5 -46.5 26.7 267 81 D L H X S+ 0 0 40 -4,-2.8 4,-3.7 2,-0.2 5,-0.3 0.909 107.2 52.4 -71.2 -45.2 -8.5 -43.4 28.8 268 82 D Y H X S+ 0 0 6 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.927 111.3 49.2 -56.3 -44.5 -11.8 -42.0 27.5 269 83 D N H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.845 116.4 41.5 -63.5 -36.4 -13.4 -45.3 28.2 270 84 D E H X S+ 0 0 51 -4,-1.4 4,-1.4 -5,-0.2 3,-0.4 0.888 109.9 56.5 -77.3 -44.0 -12.0 -45.4 31.8 271 85 D L H X S+ 0 0 26 -4,-3.7 4,-1.8 1,-0.2 -2,-0.2 0.809 101.4 61.6 -59.4 -26.1 -12.6 -41.8 32.4 272 86 D S H < S+ 0 0 1 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.926 100.3 51.5 -64.1 -46.5 -16.2 -42.5 31.6 273 87 D L H < S+ 0 0 11 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.849 120.0 34.1 -58.4 -40.0 -16.6 -45.0 34.5 274 88 D T H < S+ 0 0 83 -4,-1.4 -1,-0.2 84,-0.0 -2,-0.2 0.624 92.6 112.9 -94.3 -15.7 -15.3 -42.5 37.0 275 89 D T < - 0 0 12 -4,-1.8 -28,-0.0 -5,-0.2 -3,-0.0 -0.189 56.7-151.2 -61.6 150.1 -16.6 -39.3 35.6 276 90 D E S S+ 0 0 116 3,-0.1 2,-0.2 -33,-0.1 -1,-0.1 0.514 70.6 87.2 -96.1 -10.4 -19.3 -37.5 37.5 277 91 D Y S S- 0 0 46 2,-0.1 2,-1.7 -31,-0.1 -2,-0.1 -0.575 97.2 -25.9 -99.9 158.5 -20.7 -36.1 34.3 278 92 D Y S > S+ 0 0 11 1,-0.2 3,-2.8 -2,-0.2 4,-0.5 -0.208 113.9 75.9 53.7 -80.6 -23.3 -37.2 31.7 279 93 D Y G > S+ 0 0 8 -2,-1.7 3,-0.5 1,-0.3 -1,-0.2 0.618 90.3 58.3 -34.3 -28.9 -23.0 -41.0 32.1 280 94 D P G > S+ 0 0 44 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.810 99.9 54.5 -79.3 -28.5 -25.0 -40.9 35.4 281 95 D L G X> S+ 0 0 1 -3,-2.8 4,-2.6 1,-0.2 3,-1.2 0.483 78.1 106.3 -80.5 1.8 -28.1 -39.3 33.9 282 96 D Q H <> S+ 0 0 6 -3,-0.5 4,-1.4 -4,-0.5 -1,-0.2 0.832 74.3 55.2 -48.6 -36.6 -28.1 -42.2 31.4 283 97 D N H <> S+ 0 0 20 -3,-0.7 4,-1.2 1,-0.2 -1,-0.3 0.881 111.8 42.2 -67.7 -34.4 -31.0 -43.7 33.1 284 98 D A H <> S+ 0 0 0 -3,-1.2 4,-1.9 -4,-0.2 -2,-0.2 0.836 108.5 60.7 -78.5 -33.1 -33.0 -40.6 32.7 285 99 D I H X S+ 0 0 18 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.778 102.8 51.2 -65.9 -28.0 -31.8 -40.0 29.1 286 100 D I H X S+ 0 0 29 -4,-1.4 4,-2.4 -5,-0.2 5,-0.2 0.979 112.5 45.3 -70.1 -56.1 -33.3 -43.4 28.0 287 101 D E H < S+ 0 0 1 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 114.9 50.7 -55.8 -30.1 -36.7 -42.5 29.6 288 102 D F H >X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.1 3,-1.0 0.927 111.1 43.8 -78.6 -45.4 -36.5 -39.1 28.0 289 103 D Y H >X S+ 0 0 34 -4,-2.1 4,-2.2 1,-0.2 3,-0.6 0.970 106.1 60.2 -64.7 -51.6 -35.7 -40.0 24.5 290 104 D T H 3< S+ 0 0 59 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.555 111.8 44.1 -55.3 -3.4 -38.2 -42.8 24.3 291 105 D E H <4 S+ 0 0 77 -3,-1.0 4,-0.3 -5,-0.2 -1,-0.2 0.745 121.5 29.5-110.9 -34.4 -40.8 -40.1 25.0 292 106 D Y H << S+ 0 0 45 -4,-1.5 7,-0.4 -3,-0.6 -2,-0.2 0.396 90.2 90.6-108.9 1.2 -39.9 -37.2 22.8 293 107 D Y S < S+ 0 0 92 -4,-2.2 -1,-0.1 1,-0.2 -3,-0.1 0.764 87.0 61.0 -66.5 -20.8 -38.3 -38.9 19.8 294 108 D K S S+ 0 0 150 -5,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.983 95.3 68.8 -65.3 -58.2 -41.8 -38.9 18.5 295 109 D T S S- 0 0 53 -4,-0.3 4,-0.4 1,-0.1 -3,-0.0 -0.164 73.7-150.4 -58.4 154.9 -42.0 -35.1 18.6 296 110 D N S > S+ 0 0 111 2,-0.1 4,-1.1 3,-0.1 -1,-0.1 0.789 87.6 60.4 -99.9 -34.2 -39.7 -33.3 16.0 297 111 D S H >> S+ 0 0 84 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.969 115.5 33.5 -56.5 -57.0 -38.9 -30.1 17.8 298 112 D I H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.792 111.6 62.2 -70.8 -31.9 -37.2 -31.9 20.8 299 113 D N H 3> S+ 0 0 25 -7,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.725 98.5 59.6 -68.0 -21.6 -35.8 -34.7 18.7 300 114 D E H X S+ 0 0 133 -4,-1.7 3,-1.4 1,-0.2 4,-0.7 0.958 109.1 34.8 -51.4 -62.6 -27.6 -32.3 18.2 305 119 D L H >X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.3 3,-1.5 0.912 106.7 71.3 -60.7 -42.6 -26.0 -33.4 21.5 306 120 D E H 3X S+ 0 0 64 -4,-2.7 4,-1.4 1,-0.3 -1,-0.3 0.720 95.4 55.5 -46.0 -23.6 -25.9 -37.0 20.2 307 121 D N H X S+ 0 0 20 -4,-1.4 4,-2.2 1,-0.2 3,-1.5 0.785 102.1 84.3 -71.9 -33.7 -19.9 -39.7 19.4 311 125 D D H 3X S+ 0 0 64 -4,-2.6 4,-3.1 1,-0.3 5,-0.3 0.834 83.0 57.8 -35.1 -58.0 -17.6 -36.8 18.5 312 126 D A H 3X S+ 0 0 5 -4,-1.1 4,-1.7 -3,-0.3 -1,-0.3 0.838 112.6 41.5 -47.5 -41.4 -14.9 -37.8 21.0 313 127 D Y H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.3 5,-0.4 0.956 111.2 53.8 -73.7 -52.1 -14.7 -41.2 19.3 314 128 D H H X S+ 0 0 53 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.900 110.8 48.2 -48.2 -47.4 -14.8 -40.0 15.7 315 129 D V H X S+ 0 0 54 -4,-3.1 4,-3.2 -5,-0.2 5,-0.4 0.955 110.8 51.6 -58.3 -51.0 -11.9 -37.6 16.5 316 130 D I H X S+ 0 0 5 -4,-1.7 4,-1.0 -5,-0.3 -2,-0.2 0.868 115.5 39.0 -55.1 -45.2 -9.9 -40.4 18.1 317 131 D F H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 11,-0.2 0.883 118.1 50.7 -75.4 -36.6 -10.3 -42.9 15.2 318 132 D K H >X S+ 0 0 100 -4,-2.7 4,-2.3 -5,-0.4 3,-0.9 0.995 114.2 41.1 -60.2 -66.2 -9.9 -40.1 12.6 319 133 D E H 3< S+ 0 0 82 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 113.0 59.7 -52.1 -30.2 -6.7 -38.6 14.2 320 134 D G H ><>S+ 0 0 0 -4,-1.0 5,-2.6 -5,-0.4 3,-1.0 0.899 105.4 45.5 -67.0 -41.6 -5.7 -42.3 14.6 321 135 D N H X<5S+ 0 0 46 -4,-2.0 3,-2.6 -3,-0.9 -2,-0.2 0.966 106.3 58.0 -64.7 -53.9 -5.9 -42.9 10.9 322 136 D L T 3<5S+ 0 0 120 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.318 109.7 50.4 -59.7 13.7 -4.0 -39.8 10.0 323 137 D N T < 5S- 0 0 111 -3,-1.0 -1,-0.3 3,-0.2 -2,-0.2 0.047 112.4-115.5-139.5 25.0 -1.4 -41.4 12.2 324 138 D G T < 5S+ 0 0 75 -3,-2.6 -3,-0.2 2,-0.2 3,-0.1 0.776 81.1 124.9 43.1 33.1 -1.1 -44.8 10.7 325 139 D E S + 0 0 80 1,-0.2 4,-1.6 2,-0.1 -1,-0.3 -0.814 65.1 168.9-100.0 100.0 -16.2 -46.1 8.3 331 145 D V H > S+ 0 0 15 -2,-1.0 4,-3.5 -3,-0.3 5,-0.3 0.924 77.6 60.2 -71.9 -45.4 -15.2 -44.0 11.3 332 146 D N H 4 S+ 0 0 99 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.713 109.8 45.1 -55.0 -21.4 -18.7 -42.6 11.7 333 147 D A H > S+ 0 0 13 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 115.2 42.9 -90.7 -42.5 -19.9 -46.2 12.2 334 148 D V H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.839 108.1 60.4 -73.2 -32.8 -17.3 -47.4 14.6 335 149 D S H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.876 110.8 42.7 -61.1 -34.3 -17.5 -44.1 16.5 336 150 D K H > S+ 0 0 63 -4,-0.4 4,-1.7 -5,-0.3 -2,-0.2 0.879 112.2 51.9 -78.1 -39.9 -21.2 -45.1 17.1 337 151 D I H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.821 114.8 44.0 -66.5 -30.7 -20.5 -48.7 17.8 338 152 D A H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.958 108.8 53.0 -78.1 -55.8 -17.9 -47.8 20.4 339 153 D A H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.859 116.2 42.6 -47.2 -40.8 -19.7 -45.0 22.2 340 154 D N H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.833 111.7 51.7 -78.4 -36.3 -22.7 -47.3 22.7 341 155 D A H X S+ 0 0 0 -4,-1.2 4,-1.7 377,-0.2 -2,-0.2 0.908 115.7 43.7 -67.6 -39.1 -20.7 -50.4 23.7 342 156 D V H >X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 3,-1.0 0.993 112.9 47.6 -69.4 -59.2 -18.9 -48.3 26.3 343 157 D N H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.817 111.0 57.3 -50.7 -28.0 -21.9 -46.5 27.7 344 158 D G H 3X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 -1,-0.3 0.905 109.3 42.8 -69.7 -39.8 -23.3 -50.0 27.7 345 159 D I H << S+ 0 0 0 -4,-1.7 4,-0.4 -3,-1.0 -2,-0.2 0.850 115.2 50.5 -75.4 -31.2 -20.5 -51.2 29.9 346 160 D V H < S+ 0 0 6 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.922 119.1 32.3 -72.1 -45.4 -20.6 -48.1 32.1 347 161 D T H < S+ 0 0 14 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.607 116.9 51.3 -93.1 -8.2 -24.4 -48.1 32.9 348 162 D F S < S+ 0 0 13 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 0.395 109.0 52.4-104.1 0.2 -25.2 -51.8 32.9 349 163 D T + 0 0 0 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 -0.188 66.2 134.2-124.1 37.9 -22.4 -52.6 35.3 350 164 D H + 0 0 113 -3,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.195 69.0 54.9 -75.5 18.8 -23.4 -50.0 37.9 351 165 D E S S+ 0 0 50 2,-0.1 3,-0.2 -3,-0.0 -1,-0.2 0.768 81.5 80.8-115.5 -63.4 -23.0 -52.7 40.6 352 166 D Q S S- 0 0 55 1,-0.2 2,-0.2 2,-0.1 -3,-0.0 0.207 95.5 -62.9 -45.8 171.9 -19.6 -54.4 40.7 353 167 D N >> - 0 0 92 1,-0.1 4,-2.6 4,-0.1 3,-2.4 -0.398 42.0-126.0 -61.7 123.5 -16.5 -52.9 42.3 354 168 D I H 3> S+ 0 0 70 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.700 115.8 53.6 -44.8 -22.0 -15.3 -49.7 40.6 355 169 D N H 3> S+ 0 0 111 2,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.787 108.4 47.5 -82.8 -33.4 -12.0 -51.5 40.3 356 170 D E H <> S+ 0 0 78 -3,-2.4 4,-3.3 2,-0.2 5,-0.3 0.924 110.5 52.5 -71.1 -46.0 -13.6 -54.4 38.6 357 171 D R H X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.932 110.5 47.1 -52.9 -49.8 -15.5 -52.0 36.3 358 172 D I H X S+ 0 0 42 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.821 114.1 49.7 -63.6 -29.5 -12.2 -50.3 35.3 359 173 D K H X S+ 0 0 138 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.934 112.3 43.9 -75.1 -48.2 -10.7 -53.7 34.7 360 174 D L H >X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.2 3,-0.9 0.945 111.9 56.0 -59.6 -48.1 -13.4 -55.1 32.6 361 175 D M H 3X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.830 105.7 50.5 -53.1 -39.5 -13.5 -51.8 30.7 362 176 D N H 3X S+ 0 0 41 -4,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.768 105.9 55.1 -73.9 -24.4 -9.9 -52.1 29.8 363 177 D K H X S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 4,-0.8 0.954 115.4 39.5 -49.8 -58.0 -12.0 -53.6 20.4 369 183 D L H >X S+ 0 0 12 -4,-1.8 3,-1.5 -5,-0.3 4,-0.8 0.920 112.1 57.3 -59.1 -42.2 -8.8 -51.9 19.3 370 184 D N H 3< S+ 0 0 91 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.451 106.1 53.5 -69.1 3.9 -7.2 -55.3 18.7 371 185 D G H <4 S+ 0 0 6 -3,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.584 98.5 65.9-109.4 -16.0 -10.1 -55.8 16.4 372 186 D L H << 0 0 32 -3,-1.5 -2,-0.2 -4,-0.8 -3,-0.1 1.000 360.0 360.0 -72.5 -71.7 -9.7 -52.7 14.3 373 187 D S < 0 0 97 -4,-0.8 -1,-0.2 -48,-0.2 -2,-0.1 -0.272 360.0 360.0-104.0 360.0 -6.4 -53.0 12.4 374 !* 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 0.0 375 2 A N > 0 0 141 0, 0.0 4,-4.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -51.5 -44.2 -49.8 15.7 376 3 A L H > + 0 0 52 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.796 360.0 53.4 -54.1 -21.4 -44.9 -53.3 17.1 377 4 A K H > S+ 0 0 84 2,-0.2 4,-2.2 3,-0.1 -1,-0.3 0.897 111.5 40.4 -77.5 -44.5 -48.3 -51.6 17.4 378 5 A D H > S+ 0 0 89 2,-0.2 4,-3.7 1,-0.2 -2,-0.2 0.831 112.5 56.6 -71.3 -33.5 -48.3 -50.5 13.7 379 6 A K H X S+ 0 0 84 -4,-4.4 4,-1.9 2,-0.2 -1,-0.2 0.832 108.0 48.0 -65.7 -36.1 -46.9 -53.9 12.8 380 7 A I H X S+ 0 0 0 -4,-1.1 4,-2.8 -5,-0.3 -2,-0.2 0.945 114.0 47.3 -69.2 -48.2 -49.9 -55.5 14.6 381 8 A L H X S+ 0 0 16 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.921 110.7 52.1 -57.4 -47.8 -52.2 -53.1 12.7 382 9 A G H X S+ 0 0 38 -4,-3.7 4,-1.8 1,-0.2 -2,-0.2 0.972 116.4 37.3 -51.9 -62.1 -50.5 -53.8 9.4 383 10 A V H X S+ 0 0 28 -4,-1.9 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-4,-2.2 4,-2.3 2,-0.2 3,-1.1 0.990 113.8 47.3 -66.8 -63.5 -44.6 -58.2 40.1 610 50 E F H 3X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.3 -2,-0.2 0.830 113.2 51.3 -46.4 -36.6 -41.6 -56.6 38.4 611 51 E L H 3X S+ 0 0 23 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.3 0.830 106.3 51.3 -75.5 -31.2 -39.5 -59.6 39.4 612 52 E E H X S+ 0 0 4 -4,-2.3 4,-3.2 1,-0.3 3,-0.5 0.972 106.8 57.6 -55.7 -51.1 -42.0 -60.4 34.8 614 54 E L H 3X S+ 0 0 2 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.3 0.783 105.8 47.9 -52.5 -30.0 -38.2 -60.6 35.1 615 55 E N H 3X S+ 0 0 86 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.3 0.860 113.2 47.3 -81.5 -31.8 -38.4 -64.4 35.4 616 56 E I H < S+ 0 0 132 -4,-1.7 3,-0.5 2,-0.1 4,-0.2 0.796 117.8 54.0 -84.8 -33.1 -34.5 -72.5 18.9 628 68 E E H >< S+ 0 0 47 -4,-2.0 3,-2.4 -5,-0.2 -2,-0.2 0.879 93.2 68.0 -71.8 -39.0 -32.7 -69.8 17.1 629 69 E Q G >< S+ 0 0 62 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.696 81.9 75.6 -57.4 -21.2 -29.1 -71.0 17.6 630 70 E I G < S+ 0 0 130 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.800 86.9 65.4 -59.0 -27.9 -29.7 -74.1 15.4 631 71 E K G < S+ 0 0 151 -3,-2.4 2,-0.5 -4,-0.2 -1,-0.3 0.394 89.6 84.8 -77.5 6.2 -29.4 -71.5 12.6 632 72 E A < - 0 0 10 -3,-2.3 6,-0.1 1,-0.2 -1,-0.0 -0.938 53.7-175.2-116.2 120.5 -25.8 -71.1 13.6 633 73 E K S S+ 0 0 182 -2,-0.5 -1,-0.2 4,-0.0 -2,-0.0 0.958 72.8 21.9 -69.1 -85.1 -23.0 -73.3 12.3 634 74 E T S S- 0 0 42 1,-0.1 4,-0.5 65,-0.0 60,-0.1 0.040 80.7-114.4 -72.6-177.2 -19.9 -72.1 14.2 635 75 E N S > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.647 115.9 69.5 -91.1 -19.9 -19.8 -70.1 17.4 636 76 E R H > S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.870 109.1 35.9 -61.4 -37.5 -18.4 -67.3 15.3 637 77 E E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.650 108.4 62.5 -91.7 -19.3 -21.8 -67.1 13.9 638 78 E K H > S+ 0 0 41 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.769 105.2 50.7 -76.1 -23.8 -23.8 -67.9 17.1 639 79 E F H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.949 111.1 46.2 -74.9 -50.7 -22.3 -64.8 18.5 640 80 E Y H X S+ 0 0 36 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.949 116.8 45.6 -54.0 -54.4 -23.4 -62.7 15.5 641 81 E L H X S+ 0 0 25 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.863 112.7 49.7 -58.9 -43.2 -26.8 -64.3 15.6 642 82 E Y H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.932 113.3 45.5 -64.7 -44.4 -27.3 -63.9 19.3 643 83 E N H >X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 3,-0.7 0.945 113.1 50.4 -64.2 -46.2 -26.2 -60.2 19.3 644 84 E E H >X S+ 0 0 57 -4,-2.8 3,-1.1 -5,-0.3 4,-1.0 0.888 106.6 55.2 -58.7 -41.2 -28.5 -59.5 16.3 645 85 E L H 3X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 -1,-0.3 0.814 96.6 65.9 -62.4 -28.0 -31.4 -61.2 18.1 646 86 E S H << S+ 0 0 1 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.815 100.5 51.2 -63.1 -28.0 -30.9 -58.9 21.0 647 87 E L H << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.810 120.2 33.3 -75.8 -34.4 -31.9 -56.0 18.7 648 88 E T H < S+ 0 0 73 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.596 90.0 105.8-102.7 -13.3 -35.0 -57.8 17.6 649 89 E T < - 0 0 11 -4,-2.7 -28,-0.0 -5,-0.1 -3,-0.0 -0.309 53.3-155.4 -68.7 152.3 -36.2 -59.7 20.6 650 90 E E + 0 0 35 3,-0.1 2,-0.5 -243,-0.1 -1,-0.1 0.233 69.5 96.4-106.9 13.7 -39.2 -58.4 22.4 651 91 E Y S S- 0 0 37 -31,-0.1 2,-3.3 3,-0.1 -2,-0.1 -0.887 100.6 -33.8-111.0 128.4 -38.0 -60.3 25.5 652 92 E Y S > S+ 0 0 9 -2,-0.5 3,-1.1 1,-0.2 4,-0.2 -0.175 119.0 78.3 67.6 -53.5 -35.9 -58.9 28.3 653 93 E Y G > S+ 0 0 4 -2,-3.3 3,-0.7 1,-0.2 4,-0.2 0.729 88.4 56.2 -62.5 -24.2 -33.9 -56.4 26.3 654 94 E P G 3 S+ 0 0 36 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.728 105.1 54.8 -78.0 -20.6 -36.8 -53.8 26.1 655 95 E L G <> S+ 0 0 1 -3,-1.1 4,-2.4 1,-0.2 5,-0.3 0.349 74.3 111.8 -91.2 1.1 -36.9 -53.8 29.9 656 96 E Q H <> S+ 0 0 8 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.893 77.6 46.2 -42.3 -56.9 -33.2 -52.9 30.2 657 97 E N H > S+ 0 0 14 -3,-0.3 4,-2.4 1,-0.2 5,-0.3 0.956 111.1 50.2 -54.9 -56.6 -33.8 -49.5 31.6 658 98 E A H > S+ 0 0 1 1,-0.2 4,-3.1 -4,-0.2 -1,-0.2 0.887 112.1 49.9 -47.7 -45.7 -36.5 -50.5 34.1 659 99 E I H X S+ 0 0 15 -4,-2.4 4,-3.7 2,-0.2 -1,-0.2 0.883 107.5 52.8 -61.6 -44.6 -34.2 -53.3 35.4 660 100 E I H X S+ 0 0 17 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.949 114.7 42.3 -56.2 -52.5 -31.2 -50.9 35.8 661 101 E E H X S+ 0 0 5 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.927 115.8 47.9 -59.2 -52.2 -33.4 -48.5 37.8 662 102 E F H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.940 115.1 47.7 -56.3 -48.3 -35.0 -51.3 39.8 663 103 E Y H X S+ 0 0 17 -4,-3.7 4,-0.8 1,-0.2 -2,-0.2 0.979 107.8 50.6 -57.1 -64.0 -31.6 -52.8 40.4 664 104 E T H < S+ 0 0 53 -4,-2.9 -1,-0.2 -5,-0.2 3,-0.2 0.816 119.7 43.8 -45.5 -31.3 -29.7 -49.7 41.5 665 105 E E H >< S+ 0 0 78 -4,-1.7 3,-0.6 -5,-0.2 2,-0.2 0.985 122.7 25.5 -80.4 -72.3 -32.6 -49.3 43.9 666 106 E Y H 3< S+ 0 0 61 -4,-2.4 3,-0.2 1,-0.2 7,-0.2 -0.007 89.3 107.0 -85.4 34.1 -33.5 -52.6 45.6 667 107 E Y T 3< + 0 0 91 -4,-0.8 -1,-0.2 -2,-0.2 -3,-0.1 0.511 66.3 67.2 -90.3 -1.5 -30.1 -54.1 45.2 668 108 E K S < S+ 0 0 162 -3,-0.6 2,-0.5 -5,-0.1 -1,-0.2 0.776 76.1 96.3 -83.3 -29.6 -29.2 -53.7 48.9 669 109 E T S > S- 0 0 66 -3,-0.2 4,-3.1 1,-0.2 5,-0.3 -0.508 74.8-142.8 -66.5 113.4 -31.8 -56.3 49.8 670 110 E N H > S+ 0 0 115 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.881 97.0 44.7 -41.5 -57.2 -29.9 -59.6 50.1 671 111 E S H >> S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 3,-0.8 0.971 114.2 46.9 -55.5 -61.8 -32.7 -61.7 48.6 672 112 E I H 3> S+ 0 0 19 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.927 111.1 54.0 -46.7 -51.8 -33.5 -59.4 45.7 673 113 E N H 3X S+ 0 0 40 -4,-3.1 4,-1.2 2,-0.2 -1,-0.3 0.820 109.8 46.1 -55.2 -37.2 -29.8 -59.1 44.9 674 114 E E H XX S+ 0 0 74 -4,-1.8 4,-2.6 -3,-0.8 3,-0.6 0.980 116.6 42.8 -69.7 -55.3 -29.3 -62.8 44.7 675 115 E K H 3X S+ 0 0 79 -4,-2.3 4,-1.7 1,-0.3 -2,-0.2 0.914 115.0 52.5 -52.5 -45.4 -32.4 -63.4 42.5 676 116 E M H 3X S+ 0 0 10 -4,-3.6 4,-1.7 -5,-0.3 -1,-0.3 0.792 111.9 46.4 -61.1 -32.7 -31.4 -60.4 40.6 677 117 E N H X S+ 0 0 16 -4,-0.7 4,-1.1 -5,-0.3 3,-1.1 0.792 97.3 73.3 -93.3 -32.8 -24.5 -63.8 30.6 685 125 E D H 3X S+ 0 0 84 -4,-2.3 4,-2.9 1,-0.3 5,-0.3 0.775 86.4 66.2 -53.8 -30.6 -24.1 -67.6 30.3 686 126 E A H 3X S+ 0 0 19 -4,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.950 107.7 40.4 -55.9 -47.2 -25.3 -67.5 26.7 687 127 E Y H <> S+ 0 0 0 -3,-1.1 4,-1.3 -4,-0.3 -1,-0.3 0.666 111.7 59.8 -72.6 -21.5 -22.1 -65.5 26.0 688 128 E H H X S+ 0 0 48 -4,-1.1 4,-2.5 2,-0.2 3,-0.3 0.983 108.4 41.1 -70.9 -59.6 -20.2 -67.8 28.3 689 129 E V H X S+ 0 0 62 -4,-2.9 4,-2.3 1,-0.2 5,-0.5 0.929 110.0 58.6 -52.1 -51.9 -21.0 -71.0 26.4 690 130 E I H X S+ 0 0 4 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.896 112.5 40.2 -47.4 -46.4 -20.6 -69.4 23.0 691 131 E F H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.3 -1,-0.2 0.904 115.0 52.0 -73.0 -39.6 -17.0 -68.5 23.9 692 132 E K H >X S+ 0 0 106 -4,-2.5 4,-1.6 2,-0.2 3,-1.2 0.993 110.9 44.4 -57.5 -68.3 -16.2 -71.7 25.7 693 133 E E H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.2 56.5 -45.9 -37.3 -17.3 -74.1 22.9 694 134 E G H ><>S+ 0 0 0 -4,-1.3 5,-2.7 -5,-0.5 3,-1.3 0.894 101.5 55.3 -62.9 -42.1 -15.5 -71.8 20.5 695 135 E N H X<5S+ 0 0 51 -4,-2.0 3,-1.8 -3,-1.2 2,-0.9 0.954 109.5 46.2 -52.7 -57.8 -12.2 -72.2 22.4 696 136 E L T 3<5S+ 0 0 107 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 -0.182 111.1 55.2 -80.7 40.5 -12.4 -76.0 22.1 697 137 E N T < 5S- 0 0 97 -3,-1.3 -1,-0.3 -2,-0.9 -2,-0.2 0.123 111.6-117.1-151.6 7.0 -13.3 -75.5 18.4 698 138 E G T < 5S+ 0 0 70 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.758 78.6 127.6 56.3 28.6 -10.2 -73.5 17.6 699 139 E E S > - 0 0 87 1,-0.1 4,-1.8 2,-0.0 3,-0.7 -0.894 65.9-167.1-123.9 99.6 -10.7 -65.5 30.6 705 145 E V H 3> S+ 0 0 21 -2,-0.5 4,-2.4 -3,-0.5 5,-0.2 0.803 83.7 63.0 -52.9 -36.8 -14.1 -66.4 29.2 706 146 E N H 3> S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 106.9 41.0 -59.9 -43.8 -16.0 -65.0 32.1 707 147 E A H <> S+ 0 0 17 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.896 114.4 51.7 -72.3 -39.9 -14.8 -61.4 31.7 708 148 E V H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.885 108.0 54.4 -62.9 -37.1 -15.2 -61.5 27.9 709 149 E S H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.891 111.2 43.2 -62.4 -43.1 -18.7 -62.8 28.5 710 150 E K H X S+ 0 0 69 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.870 114.5 49.8 -72.9 -37.2 -19.6 -59.8 30.7 711 151 E I H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.963 114.7 45.8 -63.9 -49.0 -17.9 -57.3 28.4 712 152 E A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 5,-0.4 0.960 112.7 48.6 -58.5 -54.6 -19.8 -58.8 25.5 713 153 E A H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 -1,-0.2 0.870 116.8 42.6 -56.0 -39.5 -23.2 -58.9 27.2 714 154 E N H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.833 114.7 48.0 -76.5 -36.5 -22.9 -55.3 28.4 715 155 E A H >X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-1.3 0.981 112.1 48.9 -66.4 -57.7 -21.5 -53.9 25.2 716 156 E V H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.845 111.9 51.5 -48.3 -37.6 -24.1 -55.6 23.1 717 157 E N H 3X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.4 -1,-0.3 0.781 104.6 56.4 -72.2 -29.1 -26.6 -54.2 25.5 718 158 E G H > - 0 0 100 1,-0.1 4,-1.4 3,-0.0 3,-0.9 -0.342 40.9-106.3 -66.0 148.8 -34.3 -48.2 11.4 728 168 E I H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.822 114.7 54.8 -42.2 -51.4 -33.7 -51.9 12.2 729 169 E N H 3> S+ 0 0 121 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.885 108.2 48.8 -56.3 -41.6 -31.6 -52.8 9.2 730 170 E E H <> S+ 0 0 52 -3,-0.9 4,-1.1 1,-0.2 -1,-0.3 0.797 111.4 53.3 -69.1 -26.2 -29.1 -50.0 10.0 731 171 E R H X S+ 0 0 14 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.912 108.5 46.0 -72.6 -45.1 -29.1 -51.3 13.6 732 172 E I H X S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.811 108.7 58.6 -68.0 -27.2 -28.2 -54.8 12.6 733 173 E K H X S+ 0 0 138 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.862 110.2 42.7 -68.1 -35.5 -25.6 -53.3 10.3 734 174 E L H X S+ 0 0 5 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.867 112.6 52.4 -76.7 -38.2 -24.1 -51.7 13.4 735 175 E M H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.776 110.5 49.1 -67.4 -29.8 -24.5 -54.8 15.5 736 176 E N H X S+ 0 0 62 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.931 107.1 52.0 -75.1 -50.2 -22.7 -56.9 12.9 737 177 E K H X S+ 0 0 72 -4,-1.7 4,-3.3 1,-0.2 5,-0.2 0.954 114.1 47.6 -50.3 -49.4 -19.7 -54.5 12.5 738 178 E F H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.4 0.963 109.3 49.8 -54.3 -60.1 -19.4 -54.7 16.3 739 179 E S H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 114.7 48.9 -47.4 -42.6 -19.7 -58.5 16.4 740 180 E Q H X S+ 0 0 81 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.980 113.4 42.3 -61.3 -62.3 -17.0 -58.5 13.7 741 181 E I H X S+ 0 0 6 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.880 114.9 51.8 -54.1 -41.6 -14.6 -56.1 15.4 742 182 E F H < S+ 0 0 0 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.914 114.6 41.9 -64.9 -41.5 -15.1 -57.7 18.8 743 183 E L H >< S+ 0 0 12 -4,-2.2 3,-1.6 -5,-0.4 -2,-0.2 0.851 112.0 52.8 -73.8 -35.6 -14.3 -61.2 17.4 744 184 E N H 3< S+ 0 0 98 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.867 98.7 68.9 -67.2 -30.2 -11.5 -60.0 15.3 745 185 E G T 3< S+ 0 0 7 -4,-1.9 2,-0.7 -5,-0.3 -1,-0.3 0.555 86.9 76.6 -64.1 -6.4 -10.2 -58.5 18.5 746 186 E L < 0 0 19 -3,-1.6 -1,-0.1 1,-0.1 -45,-0.1 -0.866 360.0 360.0-110.9 99.6 -9.6 -62.0 19.8 747 187 E S 0 0 135 -2,-0.7 -1,-0.1 -47,-0.1 -45,-0.1 0.257 360.0 360.0 -66.1 360.0 -6.4 -63.6 18.3