==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 12-DEC-06 2O8S . COMPND 2 MOLECULE: AGR_C_984P; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR J.SEETHARAMAN,F.FOROUHAR,M.SU,L.ZHAO,K.CUNNINGHAM,L.-C.MA,H. . 460 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 73.3 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 . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 2 4 0 2 6 0 4 2 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 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 20 A P 0 0 175 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.5 16.2 -1.5 165.2 2 21 A P - 0 0 82 0, 0.0 102,-0.1 0, 0.0 101,-0.1 -0.546 360.0 -88.3 -71.9 123.3 18.7 1.0 166.7 3 22 A S - 0 0 48 -2,-0.4 101,-0.4 99,-0.3 0, 0.0 0.077 54.7-113.5 -29.0 126.4 17.1 3.1 169.5 4 23 A P - 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.079 31.9-157.6 -64.5 168.5 15.5 6.1 167.8 5 24 A Q - 0 0 53 98,-0.0 2,-0.5 99,-0.0 0, 0.0 -0.995 30.9 -85.1-154.4 145.4 16.7 9.7 168.3 6 25 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.304 48.0-145.4 -53.6 103.2 15.4 13.3 168.0 7 26 A V - 0 0 112 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.458 43.1 -62.6 -75.2 141.9 15.9 14.3 164.3 8 27 A S + 0 0 71 -2,-0.2 -1,-0.2 1,-0.1 70,-0.2 0.176 69.7 150.7 -24.5 114.6 16.9 17.9 163.5 9 28 A H 0 0 123 68,-1.8 69,-0.1 -3,-0.2 -1,-0.1 0.707 360.0 360.0-115.8 -71.3 14.0 20.2 164.5 10 29 A K 0 0 169 67,-0.8 67,-0.2 66,-0.1 68,-0.1 0.754 360.0 360.0 -91.6 360.0 15.1 23.7 165.5 11 ! 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 12 54 A V 0 0 132 0, 0.0 217,-0.1 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 -13.7 35.3 23.4 138.0 13 55 A T > + 0 0 71 212,-0.2 4,-1.6 211,-0.1 213,-0.1 0.296 360.0 125.4 79.7 -5.6 37.6 22.9 141.0 14 56 A S H > + 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.811 69.5 53.4 -53.5 -37.5 36.2 26.0 142.9 15 57 A T H > S+ 0 0 1 209,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.982 106.4 49.0 -64.8 -57.1 35.3 24.0 146.0 16 58 A Y H > S+ 0 0 45 208,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.839 110.2 58.7 -49.5 -33.4 38.7 22.4 146.6 17 59 A T H X S+ 0 0 62 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.997 107.7 40.3 -57.1 -71.5 39.8 26.0 146.2 18 60 A S H X S+ 0 0 42 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.878 115.1 53.1 -44.4 -53.4 37.8 27.5 149.0 19 61 A Y H >X S+ 0 0 12 -4,-2.5 4,-2.1 1,-0.2 3,-0.8 0.973 108.1 49.2 -46.6 -70.3 38.5 24.5 151.3 20 62 A R H 3X S+ 0 0 129 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.825 104.9 61.0 -37.6 -45.2 42.3 24.7 150.8 21 63 A L H 3X S+ 0 0 118 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.3 0.954 116.0 30.3 -51.0 -56.3 42.1 28.5 151.6 22 64 A I H << S+ 0 0 32 -4,-1.8 7,-0.2 -3,-0.8 -2,-0.2 0.988 115.4 57.1 -67.4 -62.9 40.7 27.8 155.1 23 65 A S H >< S+ 0 0 24 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.798 107.2 53.6 -37.6 -42.0 42.3 24.5 155.8 24 66 A Q H 3< S+ 0 0 153 -4,-2.3 2,-2.4 -5,-0.3 3,-0.4 0.987 117.6 28.6 -60.7 -81.3 45.7 26.1 155.2 25 67 A D T 3X S+ 0 0 69 -4,-1.1 4,-1.6 1,-0.2 -1,-0.3 -0.305 77.9 149.4 -79.1 57.3 45.7 29.1 157.5 26 68 A I H <> + 0 0 49 -2,-2.4 4,-2.6 -3,-0.8 5,-0.3 0.871 65.0 60.9 -59.1 -37.4 43.3 27.4 159.9 27 69 A G H > S+ 0 0 44 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.934 105.4 45.2 -55.4 -50.5 44.9 29.2 162.8 28 70 A K H > S+ 0 0 129 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.819 114.3 50.6 -64.3 -32.9 43.9 32.7 161.4 29 71 A S H X S+ 0 0 15 -4,-1.6 4,-3.0 -7,-0.2 3,-0.3 0.996 114.1 40.9 -67.0 -63.8 40.4 31.4 160.6 30 72 A L H X S+ 0 0 39 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.762 117.5 51.5 -53.6 -29.6 39.6 29.9 164.0 31 73 A E H < S+ 0 0 106 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.3 0.874 109.9 47.2 -77.4 -40.6 41.3 32.9 165.6 32 74 A R H >< S+ 0 0 112 -4,-2.1 3,-1.1 -3,-0.3 4,-0.3 0.939 114.0 49.3 -65.2 -45.6 39.2 35.4 163.6 33 75 A V H >< S+ 0 0 0 -4,-3.0 3,-3.6 1,-0.3 6,-0.3 0.947 102.0 59.6 -57.6 -52.5 36.1 33.4 164.4 34 76 A S T 3< S+ 0 0 58 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.682 103.0 57.8 -51.3 -17.2 36.9 33.3 168.2 35 77 A K T < S+ 0 0 146 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.590 75.5 116.9 -90.7 -13.9 36.8 37.1 167.9 36 78 A Q S <> S- 0 0 58 -3,-3.6 4,-3.1 -4,-0.3 3,-0.4 -0.400 76.0-122.3 -60.5 125.1 33.2 37.2 166.5 37 79 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.738 109.8 45.8 -35.8 -41.8 31.1 39.1 169.1 38 80 A D H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.937 114.4 44.6 -73.9 -48.8 28.7 36.2 169.5 39 81 A V H > S+ 0 0 3 -3,-0.4 4,-2.7 -6,-0.3 5,-0.2 0.892 115.7 51.9 -61.5 -39.1 31.4 33.4 169.8 40 82 A A H X S+ 0 0 38 -4,-3.1 4,-2.6 -7,-0.2 -2,-0.2 0.990 110.5 43.8 -60.0 -65.5 33.3 35.7 172.2 41 83 A R H X S+ 0 0 119 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.896 120.7 40.7 -48.2 -50.8 30.4 36.5 174.6 42 84 A E H X S+ 0 0 41 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.936 113.8 52.5 -67.3 -45.4 29.2 32.9 174.8 43 85 A T H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.846 109.4 53.0 -57.3 -35.0 32.7 31.4 174.9 44 86 A E H X S+ 0 0 108 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.958 108.4 46.7 -64.2 -54.9 33.5 33.8 177.8 45 87 A Y H X S+ 0 0 53 -4,-1.9 4,-1.5 1,-0.2 5,-0.3 0.869 113.6 50.0 -56.7 -41.4 30.5 32.7 179.9 46 88 A Y H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.917 107.6 52.0 -67.9 -42.0 31.2 29.1 179.3 47 89 A R H < S+ 0 0 123 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.861 116.8 41.1 -63.4 -32.2 34.9 29.4 180.3 48 90 A E H < S+ 0 0 125 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.640 123.7 33.5 -90.9 -18.6 33.9 31.1 183.5 49 91 A K H >< S+ 0 0 80 -4,-1.5 3,-2.2 -3,-0.2 4,-0.4 0.730 97.1 76.5-108.0 -30.9 30.9 29.0 184.5 50 92 A I G >< S+ 0 0 5 -4,-2.3 3,-2.5 -5,-0.3 -3,-0.1 0.895 89.1 59.2 -50.8 -46.5 31.6 25.5 183.3 51 93 A G G 3 S+ 0 0 30 -4,-0.4 -1,-0.3 -5,-0.3 74,-0.1 0.630 98.9 61.7 -59.7 -13.1 34.1 24.6 186.1 52 94 A S G < S+ 0 0 86 -3,-2.2 2,-0.6 73,-0.0 -1,-0.3 0.555 79.2 100.1 -88.4 -11.5 31.3 25.3 188.6 53 95 A V < + 0 0 10 -3,-2.5 72,-0.3 -4,-0.4 3,-0.1 -0.675 39.0 166.2 -81.3 117.3 29.1 22.6 187.3 54 96 A K + 0 0 91 -2,-0.6 2,-0.3 70,-0.1 70,-0.2 0.468 58.5 32.1-109.3 -5.0 29.4 19.5 189.5 55 97 A S S > S- 0 0 36 1,-0.1 4,-2.2 67,-0.1 5,-0.1 -0.956 78.1-110.2-149.1 165.3 26.4 17.5 188.4 56 98 A I H > S+ 0 0 24 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.878 121.9 54.1 -62.6 -36.0 24.2 16.6 185.4 57 99 A D H > S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.946 106.3 49.2 -61.0 -51.9 21.5 18.6 187.2 58 100 A D H 4 S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.893 115.1 47.2 -53.9 -42.9 23.7 21.6 187.6 59 101 A F H >< S+ 0 0 4 -4,-2.2 3,-1.7 2,-0.2 7,-0.3 0.946 112.9 44.3 -64.6 -56.2 24.5 21.3 183.9 60 102 A X H 3< S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.892 105.7 65.3 -57.4 -40.5 20.9 20.8 182.6 61 103 A A T 3< S+ 0 0 85 -4,-3.1 2,-0.7 -5,-0.3 -1,-0.3 0.558 92.7 70.0 -61.3 -9.1 19.8 23.6 184.9 62 104 A D <> - 0 0 31 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 -0.893 59.9-176.2-115.5 102.4 21.9 26.0 182.8 63 105 A T H > S+ 0 0 86 -2,-0.7 4,-3.5 1,-0.2 5,-0.3 0.927 82.5 56.0 -60.3 -47.5 20.4 26.6 179.4 64 106 A R H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 113.7 38.2 -51.3 -51.3 23.3 28.8 178.3 65 107 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.835 116.1 54.4 -69.2 -36.1 26.0 26.2 179.0 66 108 A Y H X S+ 0 0 7 -4,-2.0 4,-1.8 -7,-0.3 -2,-0.2 0.943 109.3 46.4 -63.4 -49.9 23.7 23.4 177.8 67 109 A N H X S+ 0 0 74 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.817 112.3 53.4 -62.5 -32.5 23.1 25.1 174.4 68 110 A Y H X S+ 0 0 5 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.945 106.0 50.1 -67.6 -49.9 26.9 25.7 174.2 69 111 A A H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 6,-0.2 0.857 115.6 43.8 -57.9 -38.4 27.9 22.1 174.7 70 112 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.5 2,-0.2 3,-0.7 0.915 107.6 54.8 -77.2 -44.4 25.5 20.9 172.1 71 113 A K H ><5S+ 0 0 30 -4,-2.1 3,-1.0 1,-0.3 5,-0.3 0.884 109.7 51.7 -54.9 -37.3 26.1 23.5 169.4 72 114 A A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.751 111.1 45.5 -70.3 -28.1 29.8 22.5 169.7 73 115 A H T <<5S- 0 0 10 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.292 116.8-117.2 -97.8 10.8 28.9 18.8 169.3 74 116 A G T X 5S+ 0 0 19 -3,-1.0 3,-0.6 -4,-0.3 2,-0.3 0.371 86.6 117.3 72.0 -5.0 26.6 19.8 166.4 75 117 A L G > < + 0 0 0 -5,-1.5 3,-1.2 1,-0.2 -4,-0.2 -0.062 31.2 125.5 -84.3 35.7 23.6 18.5 168.2 76 118 A E G 3 + 0 0 77 -6,-0.4 3,-0.4 -5,-0.3 -1,-0.2 0.746 69.2 51.5 -65.4 -26.3 22.2 22.1 168.2 77 119 A D G < S+ 0 0 48 -3,-0.6 -68,-1.8 1,-0.2 -67,-0.8 0.417 108.1 50.5 -92.7 2.5 19.0 21.0 166.6 78 120 A X S X S+ 0 0 13 -3,-1.2 3,-2.7 -70,-0.2 7,-0.2 0.266 75.7 107.3-117.4 5.6 18.2 18.3 169.1 79 121 A A T 3 + 0 0 18 -3,-0.4 6,-0.1 1,-0.3 -2,-0.1 0.822 68.8 67.7 -52.6 -34.9 18.8 20.6 172.0 80 122 A Y T 3 S+ 0 0 104 1,-0.2 2,-1.3 -4,-0.2 3,-0.3 0.629 79.3 83.6 -62.0 -15.5 15.0 20.5 172.6 81 123 A A X> + 0 0 12 -3,-2.7 4,-2.6 1,-0.2 3,-1.2 -0.335 53.0 156.0 -87.2 53.9 15.4 16.9 173.6 82 124 A K H 3> S+ 0 0 131 -2,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.873 71.2 51.8 -49.4 -43.4 16.3 17.8 177.1 83 125 A A H 3> S+ 0 0 86 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.835 112.0 48.5 -64.9 -29.3 15.1 14.4 178.4 84 126 A F H <> S+ 0 0 32 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.927 107.8 51.0 -74.7 -50.2 17.3 12.7 175.8 85 127 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.889 109.6 54.0 -56.9 -38.3 20.5 14.6 176.3 86 128 A R H X S+ 0 0 85 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.913 106.8 48.3 -64.7 -44.3 20.2 13.8 180.1 87 129 A K H X S+ 0 0 93 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.909 108.8 54.4 -61.9 -43.6 19.9 10.0 179.6 88 130 A V H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 12,-0.4 0.898 115.0 40.8 -55.0 -42.1 22.9 10.0 177.3 89 131 A L H < S+ 0 0 0 -4,-1.7 3,-0.5 1,-0.2 29,-0.4 0.867 108.8 60.2 -74.8 -41.1 24.9 11.8 180.0 90 132 A T H < S+ 0 0 61 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 111.5 38.4 -60.2 -35.8 23.5 9.8 182.8 91 133 A E H < S- 0 0 83 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.602 101.0-149.8 -92.1 -8.9 24.8 6.5 181.4 92 134 A G < - 0 0 3 -4,-0.6 8,-0.6 -3,-0.5 9,-0.3 -0.151 19.8-101.1 69.9-172.4 28.1 8.0 180.2 93 135 A A S S+ 0 0 12 19,-0.3 -1,-0.2 7,-0.1 20,-0.1 0.189 97.8 84.0-136.2 16.8 29.9 6.6 177.2 94 136 A S S S+ 0 0 63 -3,-0.2 2,-0.1 18,-0.1 -2,-0.1 0.917 75.5 74.1 -83.2 -52.8 32.7 4.4 178.7 95 137 A D S > S- 0 0 85 -4,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.408 80.9-134.1 -66.7 133.8 30.7 1.3 179.2 96 138 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.756 107.7 52.1 -57.9 -25.0 30.0 -0.7 176.1 97 139 A N T 3 S+ 0 0 115 -6,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.404 78.9 129.4 -94.4 0.4 26.4 -1.0 177.2 98 140 A A X> - 0 0 4 -3,-2.0 3,-1.8 1,-0.1 4,-0.6 -0.283 69.9-116.5 -58.4 138.8 25.8 2.7 177.9 99 141 A F G >4 S+ 0 0 38 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.846 115.0 52.5 -41.9 -49.5 22.7 4.1 176.3 100 142 A A G >4 S+ 0 0 3 -8,-0.6 3,-0.8 -12,-0.4 9,-0.4 0.778 103.5 59.0 -63.5 -26.4 24.6 6.5 174.1 101 143 A N G <4 S+ 0 0 62 -3,-1.8 -1,-0.3 -9,-0.3 -2,-0.2 0.526 100.9 55.0 -80.3 -7.6 26.8 3.6 172.8 102 144 A K G << S+ 0 0 115 -3,-1.5 -99,-0.3 -4,-0.6 -1,-0.2 0.352 91.3 95.1-104.9 4.7 23.8 1.7 171.5 103 145 A L S < S- 0 0 19 -3,-0.8 3,-0.1 -4,-0.2 -100,-0.1 -0.260 71.9-138.2 -82.6 176.7 22.7 4.7 169.4 104 146 A S S S+ 0 0 71 -101,-0.4 2,-1.3 1,-0.2 -1,-0.1 0.766 87.6 74.5-105.9 -39.3 23.6 5.1 165.8 105 147 A D S > S- 0 0 12 1,-0.2 3,-1.4 71,-0.1 4,-0.3 -0.629 70.3-160.8 -77.5 99.0 24.5 8.7 165.7 106 148 A N T 3> S+ 0 0 32 -2,-1.3 4,-1.5 69,-1.2 -1,-0.2 0.507 72.8 89.5 -61.5 -1.8 27.8 8.6 167.5 107 149 A R H 3> S+ 0 0 32 68,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.588 80.7 59.7 -74.1 -6.2 27.7 12.3 168.3 108 150 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.4 -8,-0.2 -1,-0.2 0.897 102.0 50.3 -84.5 -43.1 25.9 11.6 171.5 109 151 A A H > S+ 0 0 7 -9,-0.4 4,-1.8 -4,-0.3 -2,-0.2 0.896 106.8 59.7 -57.5 -38.9 28.7 9.5 172.8 110 152 A E H >X S+ 0 0 24 -4,-1.5 4,-2.2 2,-0.2 3,-1.0 0.967 106.5 43.7 -51.0 -61.8 30.9 12.5 171.8 111 153 A L H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.3 -1,-0.2 0.916 113.4 52.1 -51.4 -48.4 29.0 14.8 174.2 112 154 A A H 3< S+ 0 0 0 -4,-2.4 -19,-0.3 1,-0.2 -1,-0.3 0.724 108.2 51.9 -61.4 -26.9 29.1 12.2 176.9 113 155 A K H X< S+ 0 0 117 -4,-1.8 3,-0.5 -3,-1.0 -1,-0.2 0.874 111.7 45.8 -77.3 -39.6 32.9 11.8 176.5 114 156 A S H 3< S+ 0 0 17 -4,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.811 123.7 34.7 -71.3 -30.2 33.4 15.6 176.8 115 157 A L T 3< S+ 0 0 3 -4,-2.1 2,-2.0 -5,-0.2 3,-0.4 -0.569 72.5 172.4-126.6 69.1 31.0 15.8 179.9 116 158 A D <>> + 0 0 14 -3,-0.5 4,-3.9 8,-0.3 5,-0.6 -0.363 22.2 142.7 -81.3 63.3 31.6 12.6 181.8 117 159 A F H >5S+ 0 0 17 -2,-2.0 4,-1.0 3,-0.2 -1,-0.2 0.811 76.9 59.0 -66.7 -28.5 29.6 13.2 184.9 118 160 A A H 45S+ 0 0 47 -3,-0.4 -1,-0.2 -29,-0.4 -2,-0.1 0.916 120.6 22.4 -67.3 -42.4 28.7 9.6 184.6 119 161 A G H 45S+ 0 0 24 2,-0.1 198,-0.2 197,-0.1 -2,-0.2 0.750 137.1 30.8 -97.2 -26.9 32.3 8.4 184.8 120 162 A L H ><5S- 0 0 15 -4,-3.9 3,-1.3 1,-0.2 -3,-0.2 0.644 82.2-164.0-107.3 -18.4 34.0 11.4 186.5 121 163 A G G >< S- 0 0 6 -3,-0.5 4,-1.3 -13,-0.1 5,-0.3 -0.755 81.4-114.1-127.7 174.6 39.2 18.3 182.4 128 170 A E T 4>S+ 0 0 81 -2,-0.2 5,-5.1 2,-0.2 6,-0.3 0.904 115.3 57.8 -72.8 -44.2 40.4 19.7 179.1 129 171 A A T 4>S+ 0 0 26 3,-0.2 5,-1.0 1,-0.2 -1,-0.2 0.774 107.9 47.8 -55.3 -32.8 37.7 17.9 177.2 130 172 A A T 45S+ 0 0 0 3,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.886 131.5 10.3 -80.1 -43.4 35.0 19.7 179.3 131 173 A K T X5S+ 0 0 82 -4,-1.3 4,-3.1 3,-0.1 5,-0.3 0.815 138.5 27.5 -99.4 -80.6 36.4 23.2 179.0 132 174 A S H >5S+ 0 0 66 -5,-0.3 4,-2.0 1,-0.2 -3,-0.2 0.864 123.3 53.4 -49.2 -44.8 39.2 23.7 176.4 133 175 A G H >>X S+ 0 0 2 -4,-3.0 4,-3.0 2,-0.2 3,-1.2 0.981 114.0 42.7 -68.8 -58.5 32.3 25.2 159.6 145 187 A Q H 3X S+ 0 0 65 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.772 109.4 62.2 -60.3 -22.3 28.6 26.1 159.4 146 188 A E H 3< S+ 0 0 69 -4,-1.8 -1,-0.3 -5,-0.3 4,-0.3 0.844 111.1 38.0 -69.8 -33.5 29.8 29.7 158.6 147 189 A A H XX S+ 0 0 16 -3,-1.2 4,-2.5 -4,-1.0 3,-1.9 0.884 110.5 59.3 -82.4 -42.8 31.4 28.2 155.4 148 190 A G H 3< S+ 0 0 14 -4,-3.0 4,-0.3 1,-0.3 -2,-0.2 0.842 91.1 69.3 -54.0 -37.0 28.6 25.8 154.7 149 191 A D T 3< S+ 0 0 139 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.840 117.8 25.3 -49.5 -32.8 26.2 28.7 154.5 150 192 A D T <4 S+ 0 0 144 -3,-1.9 2,-0.6 -4,-0.3 -2,-0.2 0.887 141.3 12.8 -94.4 -70.2 28.1 29.4 151.3 151 193 A N >X - 0 0 34 -4,-2.5 4,-1.9 1,-0.2 3,-0.8 -0.858 57.9-173.0-118.2 98.2 29.6 26.1 150.1 152 194 A N H 3> S+ 0 0 61 -2,-0.6 4,-2.6 -4,-0.3 5,-0.3 0.901 87.7 60.3 -54.1 -43.1 28.2 23.1 151.8 153 195 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.878 104.5 49.9 -53.0 -39.2 30.8 20.9 150.1 154 196 A V H <> S+ 0 0 3 -3,-0.8 4,-2.2 2,-0.2 5,-0.3 0.968 106.8 53.9 -62.8 -52.2 33.4 22.9 151.8 155 197 A R H X S+ 0 0 80 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.908 109.3 48.4 -47.1 -50.1 31.8 22.5 155.2 156 198 A L H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -1,-0.3 0.875 109.3 56.8 -59.4 -37.0 31.8 18.8 154.7 157 199 A A H >X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.3 3,-0.7 0.987 111.2 37.8 -58.1 -65.0 35.4 19.1 153.7 158 200 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.875 114.0 57.2 -55.7 -41.2 36.6 20.7 156.9 159 201 A Y H 3X S+ 0 0 17 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.841 110.4 44.4 -61.0 -33.2 34.3 18.6 159.0 160 202 A F H < S+ 0 0 4 -4,-0.5 3,-1.9 -3,-0.3 -1,-0.2 0.978 73.5 41.5 -59.3 -67.5 39.0 12.2 160.3 165 207 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.905 98.1 75.9 -48.6 -49.9 41.1 10.1 162.8 166 208 A T T 3 S+ 0 0 54 -4,-0.3 2,-0.4 2,-0.1 -2,-0.2 0.681 79.9 91.3 -35.6 -26.3 38.0 9.3 164.9 167 209 A I < + 0 0 0 -3,-1.9 3,-0.1 -4,-0.4 43,-0.0 -0.627 34.3 143.2 -82.1 133.6 37.1 6.8 162.2 168 210 A K + 0 0 128 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.282 64.5 44.8-145.7 -2.2 38.5 3.3 162.7 169 211 A S S > S- 0 0 40 1,-0.1 4,-1.2 38,-0.1 -1,-0.3 -0.977 78.6-119.7-145.6 154.0 35.6 1.2 161.3 170 212 A G H > S+ 0 0 0 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.836 121.5 56.6 -61.4 -28.4 33.3 1.3 158.3 171 213 A L H > S+ 0 0 126 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.931 98.7 55.6 -66.0 -48.6 30.7 1.6 161.1 172 214 A D H 4 S+ 0 0 44 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.785 108.2 55.3 -55.6 -23.8 32.3 4.7 162.5 173 215 A F H >< S+ 0 0 5 -4,-1.2 3,-1.2 1,-0.2 7,-0.5 0.972 108.3 39.4 -73.9 -60.5 31.9 6.1 159.0 174 216 A L H 3< S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.612 96.8 90.1 -66.6 -11.0 28.2 5.7 158.4 175 217 A A T 3< S+ 0 0 16 -4,-1.3 -69,-1.2 -5,-0.2 -68,-0.3 0.452 87.5 47.5 -66.0 -2.7 27.9 6.7 162.0 176 218 A D S X> S- 0 0 4 -3,-1.2 4,-2.7 -71,-0.1 3,-1.0 -0.871 72.8-144.2-148.5 112.8 27.7 10.4 160.9 177 219 A D H 3> S+ 0 0 129 -2,-0.3 4,-1.7 1,-0.3 -1,-0.1 0.783 105.4 47.4 -38.4 -43.4 25.5 11.8 158.2 178 220 A A H 3> S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.871 114.0 46.8 -71.1 -39.1 28.2 14.3 157.2 179 221 A L H <4 S+ 0 0 4 -3,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.941 114.3 44.8 -69.1 -50.1 30.9 11.7 157.2 180 222 A A H >X S+ 0 0 21 -4,-2.7 4,-3.1 -7,-0.5 3,-2.0 0.908 110.2 58.2 -60.9 -39.0 29.1 9.1 155.2 181 223 A Q H 3X S+ 0 0 48 -4,-1.7 4,-0.9 -5,-0.4 5,-0.2 0.888 98.5 57.7 -56.4 -42.8 28.0 11.9 152.9 182 224 A V H 3< S+ 0 0 5 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.390 115.8 38.9 -70.3 4.8 31.6 12.8 152.1 183 225 A F H <> S+ 0 0 19 -3,-2.0 4,-1.7 2,-0.1 -2,-0.2 0.683 106.0 58.4-117.3 -52.0 31.9 9.2 151.0 184 226 A R H <>S+ 0 0 94 -4,-3.1 5,-2.7 1,-0.2 -2,-0.2 0.652 117.2 41.5 -55.4 -12.8 28.6 8.5 149.2 185 227 A T T ><5S+ 0 0 0 -4,-0.9 3,-2.2 -5,-0.3 -1,-0.2 0.821 107.0 56.4-102.6 -43.9 29.8 11.4 147.0 186 228 A T T 345S+ 0 0 17 1,-0.3 -2,-0.2 -5,-0.2 -3,-0.1 0.660 119.8 35.2 -64.3 -15.2 33.5 10.7 146.6 187 229 A F T 3<5S- 0 0 79 -4,-1.7 -1,-0.3 39,-0.0 -2,-0.1 -0.017 120.2-114.6-124.2 24.5 32.6 7.3 145.2 188 230 A N T < 5 0 0 104 -3,-2.2 -3,-0.3 -5,-0.1 -4,-0.1 0.901 360.0 360.0 37.6 97.1 29.4 8.7 143.5 189 231 A L < 0 0 81 -5,-2.7 -4,-0.2 3,-0.0 3,-0.1 0.341 360.0 360.0-158.4 360.0 26.4 7.1 145.1 190 ! 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 0.0 191 237 A A 0 0 92 0, 0.0 2,-0.6 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 -35.2 21.3 6.2 147.7 192 238 A A + 0 0 50 -3,-0.1 -8,-0.1 1,-0.1 -3,-0.0 -0.672 360.0 158.1 -77.4 119.5 23.0 3.2 149.4 193 239 A D + 0 0 144 -2,-0.6 -1,-0.1 4,-0.0 2,-0.0 0.245 28.2 121.3-127.6 12.0 20.9 2.4 152.5 194 240 A V > - 0 0 77 1,-0.1 3,-0.6 2,-0.0 -2,-0.0 -0.207 66.8-119.8 -72.1 165.7 21.8 -1.3 153.2 195 241 A D T > S+ 0 0 119 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.887 105.2 52.1 -77.0 -40.7 23.4 -2.5 156.5 196 242 A K T 3> + 0 0 131 1,-0.2 4,-1.3 2,-0.1 3,-0.4 0.014 67.7 114.9 -89.2 29.5 26.7 -3.9 155.3 197 243 A Q H <> S+ 0 0 38 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.877 70.2 67.6 -61.8 -36.3 27.7 -0.8 153.4 198 244 A A H <> S+ 0 0 10 -3,-0.7 4,-2.6 1,-0.2 3,-0.3 0.889 96.2 52.0 -48.7 -47.5 30.5 -0.6 155.9 199 245 A A H > S+ 0 0 48 -3,-0.4 4,-1.7 1,-0.2 5,-0.3 0.948 106.7 53.5 -54.0 -51.5 32.1 -3.7 154.5 200 246 A L H X S+ 0 0 100 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.817 112.2 46.4 -52.2 -36.3 31.9 -2.1 151.0 201 247 A I H < S+ 0 0 4 -4,-1.8 4,-0.4 -3,-0.3 -1,-0.2 0.890 107.3 53.4 -75.3 -45.5 33.8 0.9 152.5 202 248 A E H < S+ 0 0 88 -4,-2.6 5,-0.3 1,-0.2 -2,-0.2 0.735 118.7 37.3 -64.8 -24.2 36.5 -1.1 154.4 203 249 A K H < S+ 0 0 192 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.633 115.2 54.0 -99.1 -20.5 37.4 -2.9 151.2 204 250 A S S < S+ 0 0 42 -4,-0.8 2,-0.3 -5,-0.3 -2,-0.2 0.368 127.2 12.0 -90.9 2.4 36.9 0.1 149.0 205 251 A I S S- 0 0 43 -4,-0.4 2,-0.9 -5,-0.0 -1,-0.3 -0.883 80.7-107.5-176.7 143.8 39.3 2.0 151.3 206 252 A N >> - 0 0 92 -2,-0.3 3,-1.7 1,-0.2 4,-0.7 -0.707 23.1-164.1 -82.2 103.4 41.8 1.3 154.1 207 253 A I T 34 S+ 0 0 20 -2,-0.9 -1,-0.2 -5,-0.3 3,-0.1 0.649 86.5 64.3 -63.3 -13.3 40.3 2.6 157.3 208 254 A K T 34 S+ 0 0 182 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.686 95.4 56.9 -84.4 -17.4 43.7 2.5 158.9 209 255 A D T X4 S+ 0 0 43 -3,-1.7 3,-2.9 1,-0.2 7,-0.2 0.733 81.4 83.0 -85.3 -23.3 45.1 5.1 156.6 210 256 A L T 3< S+ 0 0 17 -4,-0.7 -43,-0.2 1,-0.3 -1,-0.2 0.268 78.2 73.6 -67.5 17.8 42.6 7.8 157.5 211 257 A Q T 3 S+ 0 0 85 -3,-0.4 -1,-0.3 -45,-0.1 -2,-0.1 0.478 75.2 96.1-102.9 -10.7 44.8 8.5 160.5 212 258 A D <> - 0 0 57 -3,-2.9 4,-2.1 1,-0.1 5,-0.2 -0.735 68.5-150.4 -87.2 114.6 47.3 10.2 158.2 213 259 A P T 4 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.266 97.8 47.8 -67.5 15.9 46.9 14.0 158.0 214 260 A E T >> S+ 0 0 134 2,-0.1 4,-1.7 3,-0.1 3,-0.6 0.676 108.6 43.2-117.6 -65.6 48.3 13.6 154.5 215 261 A K H 3> S+ 0 0 98 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.817 109.6 65.3 -54.8 -29.4 46.4 10.8 152.7 216 262 A V H 3X S+ 0 0 13 -4,-2.1 4,-2.2 -7,-0.2 -1,-0.3 0.952 100.7 47.8 -58.3 -50.4 43.4 12.4 154.3 217 263 A G H <> S+ 0 0 23 -3,-0.6 4,-2.9 1,-0.2 -2,-0.2 0.938 109.7 50.0 -57.1 -53.3 43.9 15.5 152.3 218 264 A K H X S+ 0 0 106 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.874 108.6 55.9 -55.3 -35.8 44.3 13.8 148.9 219 265 A L H >X S+ 0 0 44 -4,-2.0 4,-1.6 -5,-0.2 3,-0.5 0.959 110.3 42.5 -60.2 -50.3 41.2 11.8 149.8 220 266 A L H 3X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.4 0.839 102.7 70.9 -63.7 -32.7 39.3 15.0 150.2 221 267 A E H 3X S+ 0 0 77 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.929 103.2 41.6 -48.2 -48.6 41.0 16.3 147.1 222 268 A R H + 0 0 69 212,-0.2 4,-1.6 211,-0.1 213,-0.1 0.297 360.0 125.5 80.0 -5.5 58.5 -1.5 221.0 247 56 B S H > + 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.807 69.4 53.4 -53.7 -37.6 57.2 -4.6 219.2 248 57 B T H > S+ 0 0 1 209,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.982 106.4 49.1 -64.5 -57.1 56.2 -2.7 216.0 249 58 B Y H > S+ 0 0 45 208,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.840 110.2 58.7 -49.7 -33.0 59.7 -1.1 215.4 250 59 B T H X S+ 0 0 63 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.997 107.7 40.2 -57.7 -71.2 60.9 -4.6 216.0 251 60 B S H X S+ 0 0 41 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.882 115.1 53.2 -44.5 -54.0 58.9 -6.2 213.1 252 61 B Y H >X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 3,-0.8 0.971 108.3 49.1 -46.2 -70.0 59.6 -3.3 210.8 253 62 B R H 3X S+ 0 0 130 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.822 104.9 61.0 -38.1 -45.1 63.3 -3.5 211.3 254 63 B L H 3X S+ 0 0 117 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.3 0.952 116.0 30.3 -50.9 -56.3 63.2 -7.2 210.6 255 64 B I H << S+ 0 0 33 -4,-1.8 7,-0.2 -3,-0.8 -2,-0.2 0.986 115.5 57.1 -67.3 -62.8 61.8 -6.7 207.1 256 65 B S H >< S+ 0 0 25 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.797 107.2 53.6 -37.9 -41.7 63.4 -3.3 206.3 257 66 B Q H 3< S+ 0 0 153 -4,-2.3 2,-2.4 -5,-0.3 3,-0.4 0.988 117.6 28.6 -60.8 -81.4 66.8 -4.9 206.9 258 67 B D T 3X S+ 0 0 70 -4,-1.1 4,-1.5 1,-0.2 -1,-0.3 -0.308 78.0 149.5 -79.1 57.7 66.9 -7.9 204.7 259 68 B I H <> + 0 0 49 -2,-2.4 4,-2.6 -3,-0.8 5,-0.3 0.867 65.0 60.9 -59.6 -36.6 64.5 -6.3 202.3 260 69 B G H > S+ 0 0 43 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.938 105.3 45.3 -55.9 -51.1 66.1 -8.2 199.4 261 70 B K H > S+ 0 0 129 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.809 114.3 50.6 -64.0 -32.2 65.1 -11.6 200.9 262 71 B S H X S+ 0 0 15 -4,-1.5 4,-3.1 -7,-0.2 3,-0.3 0.994 114.1 40.9 -67.9 -63.2 61.6 -10.4 201.6 263 72 B L H X S+ 0 0 39 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.764 117.5 51.5 -54.1 -29.6 60.9 -9.0 198.2 264 73 B E H < S+ 0 0 105 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.868 109.9 47.2 -77.3 -40.0 62.6 -12.0 196.7 265 74 B R H >< S+ 0 0 112 -4,-2.0 3,-1.1 -3,-0.3 4,-0.4 0.933 114.0 49.3 -65.9 -45.6 60.5 -14.4 198.8 266 75 B V H >< S+ 0 0 0 -4,-3.1 3,-3.7 1,-0.3 6,-0.3 0.951 102.1 59.3 -57.5 -53.5 57.4 -12.5 197.8 267 76 B S T 3< S+ 0 0 57 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.679 103.0 58.0 -50.6 -17.3 58.2 -12.5 194.1 268 77 B K T < S+ 0 0 146 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.603 75.5 116.8 -90.5 -14.5 58.1 -16.2 194.5 269 78 B Q S <> S- 0 0 57 -3,-3.7 4,-3.2 -4,-0.4 3,-0.4 -0.381 76.0-122.4 -59.6 125.4 54.6 -16.4 195.8 270 79 B P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.745 109.7 46.1 -36.7 -41.2 52.5 -18.3 193.2 271 80 B D H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.944 114.3 44.2 -73.7 -49.6 50.1 -15.4 192.7 272 81 B V H > S+ 0 0 4 -3,-0.4 4,-2.8 -6,-0.3 5,-0.2 0.889 115.7 52.2 -61.0 -39.1 52.7 -12.7 192.4 273 82 B A H X S+ 0 0 39 -4,-3.2 4,-2.5 -7,-0.2 -2,-0.2 0.988 110.3 44.0 -59.8 -64.7 54.6 -15.0 190.1 274 83 B R H X S+ 0 0 117 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.889 120.6 40.6 -49.4 -49.7 51.8 -15.9 187.7 275 84 B E H X S+ 0 0 42 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.939 113.7 52.7 -68.6 -45.1 50.6 -12.3 187.4 276 85 B T H X S+ 0 0 15 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.842 109.3 52.9 -56.7 -34.7 54.1 -10.8 187.3 277 86 B E H X S+ 0 0 110 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.946 108.1 47.1 -65.4 -53.4 54.9 -13.2 184.5 278 87 B Y H X S+ 0 0 52 -4,-1.8 4,-1.4 1,-0.2 5,-0.3 0.868 113.8 49.6 -57.8 -40.9 51.9 -12.3 182.3 279 88 B Y H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.909 107.7 52.4 -68.6 -41.3 52.6 -8.6 182.8 280 89 B R H < S+ 0 0 122 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.879 116.8 40.5 -63.3 -34.4 56.3 -8.8 181.9 281 90 B E H < S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.635 123.9 33.9 -88.3 -19.8 55.4 -10.6 178.7 282 91 B K H >< S+ 0 0 81 -4,-1.4 3,-2.1 -3,-0.2 4,-0.4 0.735 97.1 76.4-106.9 -30.9 52.4 -8.6 177.6 283 92 B I G >< S+ 0 0 5 -4,-2.3 3,-2.4 1,-0.3 -3,-0.1 0.895 89.1 59.2 -51.6 -47.3 53.0 -5.0 178.7 284 93 B G G 3 S+ 0 0 30 -4,-0.4 -1,-0.3 -5,-0.3 74,-0.1 0.636 99.2 61.5 -58.3 -13.3 55.5 -4.2 175.9 285 94 B S G < S+ 0 0 85 -3,-2.1 2,-0.6 73,-0.0 -1,-0.3 0.566 79.3 99.6 -89.0 -12.0 52.8 -5.0 173.4 286 95 B V < + 0 0 8 -3,-2.4 72,-0.3 -4,-0.4 3,-0.1 -0.688 39.4 166.5 -81.4 117.6 50.5 -2.3 174.6 287 96 B K + 0 0 102 -2,-0.6 2,-0.3 70,-0.1 70,-0.2 0.453 58.6 32.7-109.9 -4.8 50.8 0.8 172.4 288 97 B S S > S- 0 0 36 1,-0.1 4,-2.2 67,-0.1 5,-0.1 -0.960 78.0-110.7-149.3 164.6 47.8 2.8 173.4 289 98 B I H > S+ 0 0 24 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.892 121.8 53.9 -61.5 -38.2 45.6 3.7 176.3 290 99 B D H > S+ 0 0 84 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.946 106.3 49.3 -59.3 -52.5 42.9 1.7 174.5 291 100 B D H 4 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.881 115.2 47.2 -53.8 -41.5 45.1 -1.4 174.3 292 101 B F H >< S+ 0 0 5 -4,-2.2 3,-1.7 2,-0.2 7,-0.3 0.936 112.9 44.4 -65.9 -54.9 45.8 -0.9 178.0 293 102 B X H 3< S+ 0 0 28 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.899 105.7 64.7 -59.1 -40.8 42.2 -0.4 179.2 294 103 B A T 3< S+ 0 0 86 -4,-3.2 2,-0.7 -5,-0.3 -1,-0.3 0.561 93.2 70.0 -61.3 -8.1 41.2 -3.3 177.0 295 104 B D <> - 0 0 30 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 -0.882 59.9-176.4-116.2 102.0 43.3 -5.7 179.1 296 105 B T H > S+ 0 0 85 -2,-0.7 4,-3.4 1,-0.2 5,-0.3 0.921 82.1 56.2 -60.8 -46.0 41.8 -6.2 182.5 297 106 B R H > S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 113.8 38.3 -52.3 -50.7 44.7 -8.3 183.8 298 107 B L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.845 116.1 54.0 -69.2 -37.8 47.3 -5.7 183.0 299 108 B Y H X S+ 0 0 7 -4,-2.2 4,-1.7 -7,-0.3 -2,-0.2 0.942 109.4 46.5 -62.4 -49.3 45.0 -2.9 184.1 300 109 B N H X S+ 0 0 75 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.826 112.4 53.4 -62.8 -33.0 44.4 -4.6 187.5 301 110 B Y H X S+ 0 0 5 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.936 105.9 50.3 -67.2 -49.7 48.2 -5.1 187.8 302 111 B A H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 6,-0.2 0.857 115.6 43.4 -57.8 -38.4 49.2 -1.5 187.2 303 112 B L H ><>S+ 0 0 0 -4,-1.7 5,-1.5 2,-0.2 3,-0.7 0.910 107.9 54.8 -78.4 -42.9 46.7 -0.3 189.8 304 113 B K H ><5S+ 0 0 30 -4,-2.1 3,-1.1 1,-0.3 5,-0.3 0.890 109.7 51.5 -55.5 -38.6 47.4 -2.8 192.5 305 114 B A H 3<5S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.740 111.4 45.3 -69.5 -27.9 51.0 -1.8 192.2 306 115 B H T <<5S- 0 0 10 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.287 116.7-117.4 -97.6 10.2 50.1 1.9 192.6 307 116 B G T X 5S+ 0 0 18 -3,-1.1 3,-0.6 -4,-0.2 2,-0.3 0.368 86.5 117.3 72.1 -5.5 47.8 0.9 195.5 308 117 B L G > < + 0 0 0 -5,-1.5 3,-1.2 1,-0.2 -4,-0.2 -0.057 31.2 125.4 -83.9 35.6 44.7 2.2 193.5 309 118 B E G 3 + 0 0 75 -6,-0.4 3,-0.4 -2,-0.3 -1,-0.2 0.748 69.0 51.8 -65.1 -26.1 43.5 -1.4 193.6 310 119 B D G < S+ 0 0 52 -3,-0.6 -68,-1.4 1,-0.2 -67,-0.8 0.415 107.7 50.6 -93.2 2.7 40.2 -0.3 195.2 311 120 B X S X S+ 0 0 15 -3,-1.2 3,-2.6 -70,-0.2 7,-0.2 0.256 75.5 107.7-117.6 6.1 39.4 2.3 192.6 312 121 B A T 3 + 0 0 18 -3,-0.4 -2,-0.1 1,-0.3 6,-0.1 0.823 68.6 67.7 -52.9 -34.7 40.0 -0.0 189.8 313 122 B Y T 3 S+ 0 0 104 1,-0.2 2,-1.3 -4,-0.2 3,-0.3 0.625 79.3 83.3 -61.9 -15.6 36.3 -0.0 189.2 314 123 B A X> + 0 0 10 -3,-2.6 4,-2.5 1,-0.2 3,-1.1 -0.318 52.8 156.1 -87.0 53.1 36.6 3.6 188.1 315 124 B K H 3> S+ 0 0 122 -2,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.865 71.3 52.1 -48.6 -42.3 37.6 2.7 184.6 316 125 B A H 3> S+ 0 0 15 -3,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.864 111.8 48.4 -65.0 -31.5 36.4 6.0 183.2 317 126 B F H <> S+ 0 0 2 -3,-1.1 4,-2.0 -198,-0.2 -2,-0.2 0.926 108.0 50.9 -72.9 -49.7 38.5 7.8 185.8 318 127 B I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.910 109.5 54.4 -56.7 -39.5 41.7 5.9 185.3 319 128 B R H X S+ 0 0 82 -4,-1.9 4,-3.0 -5,-0.3 -1,-0.2 0.905 106.6 48.2 -63.5 -42.3 41.4 6.6 181.6 320 129 B K H X S+ 0 0 31 -4,-1.3 4,-2.1 2,-0.2 13,-0.2 0.899 108.9 54.4 -64.8 -41.3 41.1 10.4 181.9 321 130 B V H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 12,-0.3 0.891 115.1 40.7 -58.7 -40.3 44.1 10.5 184.3 322 131 B L H < S+ 0 0 1 -4,-1.8 3,-0.5 -5,-0.2 29,-0.4 0.871 108.9 59.8 -76.1 -41.2 46.1 8.6 181.6 323 132 B T H < S+ 0 0 63 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 112.3 38.0 -59.3 -36.8 44.7 10.6 178.7 324 133 B E H < S- 0 0 32 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.595 101.2-151.3 -92.0 -7.7 46.0 13.9 180.1 325 134 B G < - 0 0 3 -4,-0.6 8,-0.6 -3,-0.5 9,-0.3 -0.107 20.6 -99.6 67.3-171.3 49.2 12.5 181.4 326 135 B A S S+ 0 0 11 19,-0.3 -1,-0.2 7,-0.1 20,-0.1 0.196 97.7 84.1-135.7 17.7 51.1 13.9 184.4 327 136 B S S S+ 0 0 90 -3,-0.2 2,-0.1 18,-0.1 -2,-0.1 0.919 75.4 73.7 -84.1 -53.0 53.8 16.1 182.8 328 137 B D S > S- 0 0 90 -4,-0.3 3,-2.1 1,-0.1 6,-0.2 -0.410 81.4-133.2 -66.7 133.6 51.8 19.3 182.2 329 138 B K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.768 107.6 52.6 -56.9 -25.8 51.1 21.2 185.4 330 139 B N T 3 S+ 0 0 99 -6,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.414 78.4 129.8 -93.0 0.5 47.5 21.5 184.1 331 140 B A X> - 0 0 3 -3,-2.1 3,-1.8 1,-0.1 4,-0.6 -0.271 69.7-117.2 -58.1 138.8 47.0 17.8 183.6 332 141 B F G >4 S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.867 114.9 52.9 -41.5 -50.5 43.8 16.4 185.1 333 142 B A G >4 S+ 0 0 3 -8,-0.6 3,-0.8 -12,-0.3 9,-0.4 0.777 103.3 58.8 -62.4 -26.4 45.7 14.1 187.4 334 143 B N G <4 S+ 0 0 61 -3,-1.8 -1,-0.3 -9,-0.3 -2,-0.2 0.525 100.9 54.8 -81.2 -7.0 47.9 17.0 188.7 335 144 B K G << S+ 0 0 76 -3,-1.6 -99,-0.6 -4,-0.6 -1,-0.2 0.352 91.3 95.3-105.0 4.7 44.8 18.9 189.9 336 145 B L S < S- 0 0 18 -3,-0.8 -98,-0.1 -4,-0.2 3,-0.1 -0.255 72.0-138.0 -82.7 176.9 43.7 15.9 192.0 337 146 B S S S+ 0 0 73 -101,-0.2 2,-1.3 -100,-0.2 -1,-0.1 0.764 87.4 75.0-106.4 -38.3 44.6 15.7 195.7 338 147 B D > - 0 0 12 1,-0.2 3,-1.4 71,-0.1 4,-0.3 -0.627 70.0-160.9 -77.4 99.3 45.5 12.0 195.9 339 148 B N T 3> S+ 0 0 39 -2,-1.3 4,-1.5 69,-1.2 -1,-0.2 0.515 72.9 89.1 -61.5 -3.0 48.9 12.2 194.2 340 149 B R H 3> S+ 0 0 31 68,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.572 80.9 60.0 -73.1 -6.3 48.8 8.4 193.4 341 150 B Y H <> S+ 0 0 0 -3,-1.4 4,-2.4 -8,-0.2 -1,-0.2 0.896 101.9 50.3 -84.3 -43.7 47.0 9.0 190.1 342 151 B A H > S+ 0 0 6 -9,-0.4 4,-1.7 -4,-0.3 -2,-0.2 0.897 106.9 59.5 -56.6 -39.7 49.9 11.1 188.8 343 152 B E H >X S+ 0 0 24 -4,-1.5 4,-2.2 2,-0.2 3,-0.9 0.962 106.6 44.0 -51.1 -60.4 52.1 8.2 189.9 344 153 B L H 3X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.924 113.2 52.0 -52.6 -48.5 50.2 5.8 187.6 345 154 B A H 3< S+ 0 0 0 -4,-2.4 -19,-0.3 1,-0.2 -1,-0.3 0.724 108.3 52.2 -61.4 -26.2 50.3 8.4 184.8 346 155 B K H X< S+ 0 0 121 -4,-1.7 3,-0.5 -3,-0.9 -1,-0.2 0.862 111.6 45.5 -78.7 -37.8 54.1 8.8 185.2 347 156 B S H 3< S+ 0 0 18 -4,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.826 123.7 35.4 -72.6 -31.9 54.6 5.0 185.0 348 157 B L T 3< S+ 0 0 3 -4,-2.3 2,-2.0 -5,-0.2 3,-0.4 -0.590 72.5 172.0-123.5 70.5 52.3 4.7 182.0 349 158 B D <>> + 0 0 19 -3,-0.5 4,-4.1 -2,-0.3 5,-0.6 -0.360 22.2 142.5 -82.3 62.6 52.8 7.9 180.0 350 159 B F H >5S+ 0 0 17 -2,-2.0 4,-1.0 3,-0.2 -1,-0.2 0.821 76.9 59.0 -65.9 -28.6 50.9 7.1 176.8 351 160 B A H 45S+ 0 0 47 -3,-0.4 -1,-0.2 -29,-0.4 -2,-0.1 0.906 120.3 22.7 -66.3 -43.1 50.0 10.8 177.1 352 161 B G H 45S+ 0 0 47 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.751 136.5 30.7 -97.1 -27.4 53.6 11.9 176.9 353 162 B L H ><5S- 0 0 77 -4,-4.1 3,-1.3 1,-0.2 -3,-0.2 0.659 82.2-163.6-106.8 -17.5 55.3 9.0 175.2 354 163 B G G >< S- 0 0 47 -3,-0.5 4,-1.3 -13,-0.1 5,-0.3 -0.735 81.6-113.6-127.0 174.4 60.5 2.2 179.5 361 170 B E T 4>S+ 0 0 137 -2,-0.2 5,-5.0 2,-0.2 6,-0.3 0.903 115.3 57.9 -72.3 -44.2 61.7 0.9 182.9 362 171 B A T 4>S+ 0 0 45 1,-0.2 5,-1.0 3,-0.2 -1,-0.2 0.789 107.8 47.9 -55.5 -33.5 58.9 2.7 184.7 363 172 B A T 45S+ 0 0 0 3,-0.2 -1,-0.2 -6,-0.2 -2,-0.2 0.884 131.3 10.2 -78.9 -43.6 56.4 0.9 182.7 364 173 B K T X5S+ 0 0 82 -4,-1.3 4,-3.1 3,-0.1 5,-0.3 0.814 138.4 27.7-100.3 -79.5 57.7 -2.7 183.0 365 174 B S H >5S+ 0 0 66 -5,-0.3 4,-1.9 1,-0.2 -3,-0.2 0.862 123.3 53.6 -50.5 -42.2 60.5 -3.0 185.6 366 175 B G H >X S+ 0 0 2 -4,-3.0 4,-2.9 2,-0.2 3,-1.1 0.980 113.9 42.4 -68.7 -58.1 53.5 -4.2 202.5 378 187 B Q H 3X S+ 0 0 66 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.762 109.4 62.5 -61.0 -21.8 49.8 -5.2 202.6 379 188 B E H 3< S+ 0 0 68 -4,-1.7 -1,-0.3 -5,-0.3 4,-0.3 0.840 111.0 38.0 -70.0 -33.1 51.0 -8.7 203.5 380 189 B A H XX S+ 0 0 16 -3,-1.1 4,-2.4 -4,-1.0 3,-1.9 0.884 110.6 59.2 -82.7 -43.3 52.5 -7.2 206.7 381 190 B G H 3< S+ 0 0 14 -4,-2.9 4,-0.3 1,-0.3 -2,-0.2 0.843 91.2 69.4 -53.8 -37.1 49.7 -4.7 207.3 382 191 B D T 3< S+ 0 0 137 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.843 117.7 25.4 -49.0 -33.5 47.3 -7.7 207.6 383 192 B D T <4 S+ 0 0 143 -3,-1.9 2,-0.6 -4,-0.3 -2,-0.2 0.895 141.3 12.6 -93.4 -70.2 49.2 -8.3 210.7 384 193 B N >X - 0 0 35 -4,-2.4 4,-1.9 1,-0.2 3,-0.8 -0.866 57.9-172.7-118.0 98.4 50.7 -4.9 211.9 385 194 B N H 3> S+ 0 0 63 -2,-0.6 4,-2.6 -4,-0.3 5,-0.3 0.903 87.7 60.2 -54.2 -43.5 49.2 -2.0 210.1 386 195 B G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.875 104.5 50.2 -52.8 -39.1 51.8 0.3 211.8 387 196 B V H <> S+ 0 0 3 -3,-0.8 4,-2.2 2,-0.2 5,-0.3 0.968 106.8 53.6 -62.7 -52.6 54.5 -1.7 210.1 388 197 B R H X S+ 0 0 80 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.908 109.4 48.7 -47.1 -49.9 52.8 -1.4 206.7 389 198 B L H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -1,-0.3 0.877 109.2 56.5 -59.1 -37.8 52.8 2.3 207.2 390 199 B A H >X S+ 0 0 0 -4,-1.7 4,-2.5 -3,-0.3 3,-0.8 0.987 111.3 37.9 -57.4 -65.2 56.4 2.1 208.2 391 200 B L H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.873 114.0 57.0 -55.9 -41.0 57.7 0.3 205.1 392 201 B Y H 3X S+ 0 0 17 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.3 0.838 110.6 44.3 -61.2 -32.8 55.4 2.4 202.8 393 202 B F H < S+ 0 0 4 -4,-0.5 3,-1.9 -3,-0.3 -1,-0.2 0.978 73.5 41.3 -59.4 -67.4 60.0 8.9 201.5 398 207 B P T 3 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.905 98.2 76.0 -48.9 -49.7 62.1 10.9 199.0 399 208 B T T 3 S+ 0 0 60 -4,-0.3 2,-0.4 2,-0.1 -2,-0.2 0.677 79.8 91.4 -35.8 -26.1 59.1 11.6 196.8 400 209 B I < + 0 0 2 -3,-1.9 3,-0.1 -4,-0.4 43,-0.0 -0.635 34.2 143.0 -82.2 133.2 58.1 14.2 199.4 401 210 B K + 0 0 140 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.284 64.6 44.9-145.1 -2.9 59.4 17.7 198.9 402 211 B S S > S- 0 0 37 1,-0.1 4,-1.2 38,-0.1 -1,-0.3 -0.977 78.5-120.0-145.2 153.6 56.5 19.8 200.2 403 212 B G H > S+ 0 0 0 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.833 121.6 56.7 -61.3 -28.2 54.2 19.7 203.1 404 213 B L H > S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.928 98.8 55.6 -66.2 -48.0 51.6 19.4 200.4 405 214 B D H 4 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.793 108.1 55.2 -56.0 -23.9 53.3 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