==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 01-FEB-11 3AU9 . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR T.UMEDA,N.TANAKA,Y.KUSAKABE,M.NAKANISHI,Y.KITADE,K.T.NAKAMUR . 820 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 618 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.1 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 . 2 0.2 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 39.1 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 9 1 0 0 3 7 2 2 2 0 5 0 1 4 0 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 10 2 2 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 . 2 0 1 0 5 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 . 1 0 0 0 0 2 0 0 1 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 77 A P 0 0 133 0, 0.0 2,-0.6 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 152.9 -12.3 -16.4 33.4 2 78 A I E -a 31 0A 28 28,-4.1 30,-2.6 97,-0.0 2,-0.7 -0.837 360.0-148.5-100.5 118.7 -11.0 -16.2 29.9 3 79 A N E -a 32 0A 31 -2,-0.6 97,-2.2 28,-0.2 96,-1.9 -0.773 25.7-178.0 -91.1 114.0 -12.7 -18.5 27.4 4 80 A V E -ab 33 100A 0 28,-2.5 30,-3.1 -2,-0.7 31,-1.0 -0.890 22.8-163.2-124.2 136.5 -10.3 -19.6 24.7 5 81 A A E -ab 35 101A 0 95,-2.3 97,-2.9 -2,-0.4 2,-0.6 -0.930 14.6-149.2-109.2 144.4 -10.3 -21.8 21.5 6 82 A I E > -ab 36 102A 0 29,-2.8 31,-1.6 -2,-0.4 3,-0.6 -0.935 7.8-164.4-117.2 109.8 -7.0 -23.0 20.0 7 83 A F E 3 S+ab 37 103A 0 95,-3.2 97,-2.8 -2,-0.6 31,-0.2 -0.810 82.1 17.8 -94.2 131.0 -7.0 -23.5 16.2 8 84 A G T > S+ 0 0 11 29,-2.9 3,-1.2 -2,-0.5 6,-0.7 0.912 80.7 169.0 71.6 48.9 -4.1 -25.6 15.0 9 85 A S T < + 0 0 0 28,-1.3 9,-0.2 -3,-0.6 29,-0.1 0.661 65.2 54.6 -73.8 -18.1 -3.6 -26.9 18.6 10 86 A T T 3 S+ 0 0 24 27,-0.2 -1,-0.3 4,-0.1 28,-0.1 0.428 94.4 83.9 -97.2 0.5 -1.1 -29.7 17.7 11 87 A G S <> S- 0 0 33 -3,-1.2 4,-2.2 93,-0.1 5,-0.2 -0.093 100.3 -82.0 -86.0-166.9 1.4 -27.5 15.9 12 88 A S H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.940 129.0 38.7 -66.0 -51.8 4.2 -25.4 17.4 13 89 A I H > S+ 0 0 30 91,-0.2 4,-2.7 2,-0.2 5,-0.2 0.940 115.7 53.5 -62.0 -48.1 2.1 -22.3 18.4 14 90 A G H > S+ 0 0 0 -6,-0.7 4,-2.2 90,-0.3 -2,-0.2 0.892 110.7 45.5 -56.8 -45.4 -0.8 -24.5 19.5 15 91 A T H X S+ 0 0 47 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.887 113.4 50.0 -65.0 -40.9 1.3 -26.6 21.8 16 92 A N H X S+ 0 0 33 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.835 109.1 52.6 -66.6 -35.1 3.0 -23.4 23.2 17 93 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.947 111.9 44.3 -62.7 -50.7 -0.4 -21.8 23.8 18 94 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.888 111.2 57.4 -61.9 -39.0 -1.6 -24.9 25.8 19 95 A N H X S+ 0 0 53 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.923 111.2 39.0 -53.7 -52.7 1.8 -24.9 27.6 20 96 A I H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.849 114.9 54.4 -74.0 -31.8 1.5 -21.3 28.9 21 97 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 10,-0.2 0.937 110.6 47.1 -61.1 -47.7 -2.3 -21.8 29.6 22 98 A R H X S+ 0 0 64 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.911 114.6 45.5 -59.3 -46.3 -1.5 -24.9 31.7 23 99 A E H X S+ 0 0 79 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.860 113.7 47.5 -74.2 -35.8 1.3 -23.2 33.7 24 100 A C H >X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 3,-0.8 0.880 107.8 56.8 -69.1 -39.7 -0.6 -20.0 34.4 25 101 A N H 3< S+ 0 0 34 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.787 99.0 61.5 -61.0 -28.2 -3.6 -22.0 35.5 26 102 A K H 3< S+ 0 0 142 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 109.2 41.9 -65.8 -30.4 -1.4 -23.7 38.1 27 103 A I H << S- 0 0 59 -3,-0.8 2,-0.3 -4,-0.7 -2,-0.2 0.918 140.4 -15.0 -79.2 -50.1 -0.8 -20.2 39.6 28 104 A E S < S- 0 0 147 -4,-2.5 2,-0.9 271,-0.1 -1,-0.3 -0.940 72.9-110.0-158.7 134.5 -4.4 -19.1 39.4 29 105 A N + 0 0 130 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.542 63.3 129.9 -76.3 103.0 -7.3 -20.5 37.4 30 106 A V + 0 0 31 -2,-0.9 -28,-4.1 -9,-0.2 2,-0.5 0.586 50.2 73.2-126.0 -23.6 -8.1 -18.0 34.6 31 107 A F E -a 2 0A 5 -3,-0.3 2,-0.5 -10,-0.2 -28,-0.2 -0.850 48.8-172.3-105.4 130.5 -8.2 -20.0 31.4 32 108 A N E -a 3 0A 67 -30,-2.6 -28,-2.5 -2,-0.5 2,-0.9 -0.972 19.8-144.7-113.4 113.5 -10.9 -22.3 30.2 33 109 A V E +a 4 0A 5 -2,-0.5 -28,-0.2 19,-0.2 22,-0.2 -0.701 26.2 172.2 -78.5 107.6 -9.9 -24.1 27.0 34 110 A K E + 0 0 32 -30,-3.1 22,-2.3 -2,-0.9 21,-0.4 0.711 55.3 14.9 -93.7 -26.3 -13.2 -24.4 25.2 35 111 A A E -ac 5 56A 0 -31,-1.0 -29,-2.8 20,-0.2 2,-0.3 -0.996 49.3-165.7-155.3 146.0 -12.2 -25.8 21.8 36 112 A L E -ac 6 57A 0 20,-1.1 22,-2.0 -2,-0.3 2,-0.4 -0.992 12.1-175.4-132.6 141.3 -9.4 -27.5 19.8 37 113 A Y E +ac 7 58A 11 -31,-1.6 -29,-2.9 -2,-0.3 -28,-1.3 -0.996 7.9 166.3-144.6 124.2 -9.2 -27.7 16.0 38 114 A V E - c 0 59A 5 20,-1.9 22,-3.0 -2,-0.4 23,-0.2 -0.837 34.2-129.3-131.5 171.0 -6.6 -29.6 13.9 39 115 A N S S- 0 0 83 -2,-0.3 22,-2.6 20,-0.2 46,-0.1 0.955 88.1 -25.5 -82.2 -63.7 -6.2 -30.8 10.3 40 116 A K S S+ 0 0 130 20,-0.2 2,-2.5 19,-0.1 3,-0.2 0.439 97.5 110.6-134.8 -14.2 -5.2 -34.5 10.4 41 117 A S > + 0 0 56 1,-0.2 4,-2.2 2,-0.1 3,-0.3 -0.325 33.6 160.7 -78.5 63.8 -3.5 -35.2 13.7 42 118 A V H > + 0 0 14 -2,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.837 68.3 49.4 -50.9 -45.7 -6.3 -37.3 15.2 43 119 A N H > S+ 0 0 93 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 112.4 43.6 -70.0 -40.0 -4.2 -39.0 17.9 44 120 A E H > S+ 0 0 74 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.839 112.5 54.5 -75.0 -30.9 -2.6 -36.0 19.4 45 121 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.934 109.0 49.3 -61.6 -46.0 -5.9 -34.1 19.3 46 122 A Y H X S+ 0 0 29 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.906 111.0 49.7 -53.4 -47.9 -7.3 -37.1 21.3 47 123 A E H X S+ 0 0 130 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.871 113.0 45.5 -63.5 -42.5 -4.4 -36.8 23.8 48 124 A Q H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.910 107.3 59.7 -65.7 -42.9 -4.9 -33.1 24.3 49 125 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.859 102.1 54.1 -52.9 -39.9 -8.7 -33.6 24.6 50 126 A R H < S+ 0 0 128 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.9 41.3 -64.9 -39.5 -8.1 -35.9 27.6 51 127 A E H < S+ 0 0 102 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.904 128.3 25.6 -74.9 -45.0 -6.0 -33.3 29.5 52 128 A F H < S- 0 0 37 -4,-2.5 -19,-0.2 -20,-0.0 -3,-0.2 0.679 83.9-151.1 -99.9 -19.8 -8.0 -30.1 28.8 53 129 A L < - 0 0 87 -4,-2.0 2,-0.1 -5,-0.4 -3,-0.1 0.928 20.1-164.8 47.2 63.3 -11.5 -31.5 28.2 54 130 A P - 0 0 1 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.459 27.0-127.3 -74.9 151.5 -12.9 -28.8 25.8 55 131 A E S S+ 0 0 88 -21,-0.4 26,-3.1 -22,-0.2 2,-0.4 0.814 94.6 44.7 -62.7 -33.6 -16.6 -28.5 25.0 56 132 A Y E -cd 35 81A 26 -22,-2.3 -20,-1.1 24,-0.2 2,-0.4 -0.910 60.2-177.8-120.0 142.7 -15.8 -28.6 21.2 57 133 A L E +cd 36 82A 0 24,-2.5 26,-3.6 -2,-0.4 2,-0.4 -0.998 9.3 179.1-132.6 137.0 -13.5 -30.7 19.1 58 134 A C E -cd 37 83A 0 -22,-2.0 -20,-1.9 -2,-0.4 2,-0.4 -0.999 13.2-171.1-141.5 139.0 -13.0 -30.3 15.4 59 135 A I E -cd 38 84A 0 24,-1.7 26,-1.6 -2,-0.4 -20,-0.2 -0.995 14.8-152.6-127.9 125.9 -10.9 -32.1 12.7 60 136 A H S S+ 0 0 51 -22,-3.0 2,-0.7 -2,-0.4 -21,-0.2 0.882 78.0 80.8 -66.9 -38.3 -10.6 -30.6 9.3 61 137 A D > - 0 0 45 -22,-2.6 3,-1.5 -23,-0.2 4,-0.2 -0.589 64.8-161.7 -75.4 109.1 -9.9 -34.0 7.5 62 138 A K G > S+ 0 0 164 -2,-0.7 3,-1.1 1,-0.3 4,-0.5 0.773 84.8 67.3 -64.4 -26.2 -13.3 -35.6 7.1 63 139 A S G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.588 105.7 39.8 -74.7 -10.8 -11.7 -39.0 6.5 64 140 A V G <> S+ 0 0 21 -3,-1.5 4,-1.7 2,-0.1 -1,-0.2 0.239 89.0 97.5-115.7 12.8 -10.4 -39.2 10.1 65 141 A Y H <> S+ 0 0 52 -3,-1.1 4,-1.8 2,-0.2 -2,-0.1 0.926 85.6 44.0 -67.7 -47.1 -13.6 -37.7 11.7 66 142 A E H > S+ 0 0 115 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.867 110.3 56.2 -65.9 -37.7 -15.1 -41.1 12.6 67 143 A E H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 106.4 51.7 -60.5 -38.8 -11.8 -42.3 14.0 68 144 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.930 107.9 49.9 -63.3 -49.0 -11.7 -39.3 16.3 69 145 A K H X S+ 0 0 62 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.889 110.4 52.9 -56.9 -40.4 -15.2 -40.0 17.6 70 146 A E H < S+ 0 0 119 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.932 111.1 45.1 -58.1 -50.2 -14.0 -43.6 18.2 71 147 A L H >< S+ 0 0 35 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.893 107.9 57.2 -62.3 -42.7 -11.0 -42.5 20.2 72 148 A V H >< S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.3 -1,-0.2 0.732 89.3 73.1 -68.5 -25.2 -12.8 -39.9 22.3 73 149 A K T 3< S+ 0 0 137 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.821 84.5 70.1 -54.1 -33.9 -15.3 -42.5 23.7 74 150 A N T < S+ 0 0 99 -3,-1.3 2,-0.8 -4,-0.5 -1,-0.3 0.611 78.5 91.8 -59.7 -16.3 -12.4 -43.8 25.9 75 151 A I S X S- 0 0 14 -3,-1.9 3,-0.7 -4,-0.1 2,-0.1 -0.772 76.8-139.5 -88.8 111.6 -12.6 -40.6 28.0 76 152 A K T 3 S+ 0 0 180 -2,-0.8 3,-0.1 1,-0.2 -2,-0.1 -0.381 77.7 11.5 -71.8 146.5 -15.0 -41.2 30.9 77 153 A D T 3 S+ 0 0 174 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.850 100.3 118.3 57.3 42.1 -17.5 -38.6 32.1 78 154 A Y < + 0 0 26 -3,-0.7 -1,-0.2 -5,-0.1 -3,-0.1 -0.948 34.6 173.2-145.7 114.3 -16.8 -36.5 28.9 79 155 A K + 0 0 194 -2,-0.4 2,-0.2 -3,-0.1 -6,-0.0 -0.752 17.2 173.0-124.1 83.1 -19.4 -35.5 26.3 80 156 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 -24,-0.2 -0.505 39.6-111.1 -86.4 159.4 -17.9 -33.0 23.8 81 157 A I E -d 56 0A 66 -26,-3.1 -24,-2.5 -2,-0.2 2,-0.5 -0.832 37.7-156.6 -85.2 113.1 -19.4 -31.7 20.6 82 158 A I E +d 57 0A 28 -2,-0.7 2,-0.2 -26,-0.2 -24,-0.2 -0.848 19.7 168.8-101.8 123.5 -17.2 -33.4 17.9 83 159 A L E -d 58 0A 23 -26,-3.6 -24,-1.7 -2,-0.5 2,-0.3 -0.686 16.8-151.5-128.4 173.0 -17.1 -31.6 14.5 84 160 A C E > -d 59 0A 28 -26,-0.3 4,-1.9 -2,-0.2 3,-0.3 -0.988 45.1 -6.0-148.4 158.1 -15.3 -31.6 11.2 85 161 A G H > S- 0 0 14 -26,-1.6 4,-1.5 -2,-0.3 3,-0.2 0.015 107.1 -33.4 61.8-163.7 -14.2 -29.5 8.2 86 162 A D H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.814 135.3 59.0 -58.6 -36.6 -15.2 -25.9 7.5 87 163 A E H > S+ 0 0 141 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.916 105.3 47.3 -61.4 -48.6 -18.6 -26.4 9.1 88 164 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.852 110.4 53.2 -62.5 -37.5 -17.3 -27.4 12.5 89 165 A M H X S+ 0 0 7 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.946 108.9 48.9 -61.5 -48.7 -14.9 -24.4 12.4 90 166 A K H X S+ 0 0 59 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.851 108.8 53.8 -59.9 -38.1 -17.7 -22.0 11.8 91 167 A E H < S+ 0 0 87 -4,-1.8 4,-0.3 2,-0.2 -1,-0.2 0.899 109.8 46.8 -65.1 -42.7 -19.8 -23.5 14.6 92 168 A I H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.937 112.2 50.4 -62.9 -48.2 -17.0 -23.0 17.1 93 169 A C H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 109.5 51.4 -58.7 -34.1 -16.4 -19.4 15.9 94 170 A S T 3< S+ 0 0 60 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.416 83.2 115.7 -87.0 1.4 -20.2 -18.7 16.3 95 171 A S X - 0 0 11 -3,-1.4 3,-1.9 -4,-0.3 -3,-0.0 -0.616 60.0-148.4 -79.3 121.7 -20.4 -20.0 19.9 96 172 A N T 3 S+ 0 0 153 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.549 93.7 69.5 -62.8 -9.1 -21.2 -17.3 22.5 97 173 A S T 3 S+ 0 0 48 -63,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.504 85.4 79.0 -88.8 -5.1 -19.1 -19.2 25.0 98 174 A I < + 0 0 0 -3,-1.9 -94,-0.2 -6,-0.2 3,-0.1 -0.915 45.3 169.3-112.0 125.9 -15.8 -18.4 23.3 99 175 A D + 0 0 74 -96,-1.9 24,-2.1 -2,-0.5 2,-0.4 0.824 67.2 27.9-100.1 -41.4 -14.2 -15.0 23.8 100 176 A K E -be 4 123A 30 -97,-2.2 -95,-2.3 22,-0.2 2,-0.4 -0.959 60.1-160.8-130.3 142.0 -10.7 -15.4 22.2 101 177 A I E -be 5 124A 0 22,-2.4 24,-2.3 -2,-0.4 2,-0.6 -0.982 10.1-149.2-126.9 118.8 -9.4 -17.7 19.4 102 178 A V E -be 6 125A 0 -97,-2.9 -95,-3.2 -2,-0.4 2,-1.0 -0.782 13.4-153.7 -82.5 117.9 -5.7 -18.5 19.0 103 179 A I E +be 7 126A 0 22,-2.3 24,-1.7 -2,-0.6 25,-1.2 -0.823 33.3 152.2 -97.7 98.0 -5.1 -19.0 15.3 104 180 A G + 0 0 17 -97,-2.8 -90,-0.3 -2,-1.0 2,-0.3 0.014 29.4 123.7-113.4 23.7 -2.0 -21.3 15.0 105 181 A I - 0 0 27 5,-0.1 2,-0.1 -92,-0.1 5,-0.1 -0.664 59.3-124.2 -79.2 141.6 -3.0 -22.9 11.7 106 182 A D + 0 0 102 -2,-0.3 4,-0.5 22,-0.1 3,-0.2 -0.415 56.6 1.4 -87.2 162.6 -0.2 -22.4 9.1 107 183 A S S > S- 0 0 22 2,-0.2 3,-1.8 1,-0.2 24,-0.3 0.115 109.4 -38.6 67.0-173.7 -0.2 -20.9 5.6 108 184 A F T > S+ 0 0 7 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.789 126.5 76.0 -53.3 -32.8 -3.0 -19.2 3.5 109 185 A Q T >> S+ 0 0 78 1,-0.3 3,-1.1 -3,-0.2 4,-0.6 0.824 81.2 69.9 -46.6 -35.5 -5.3 -21.9 5.0 110 186 A G H <> S+ 0 0 0 -3,-1.8 4,-1.6 -4,-0.5 -1,-0.3 0.721 83.0 73.6 -60.2 -22.7 -5.2 -19.8 8.2 111 187 A L H <> S+ 0 0 0 -3,-2.3 4,-2.9 -4,-0.2 5,-0.3 0.869 86.7 59.7 -58.6 -42.6 -7.3 -17.1 6.5 112 188 A Y H <> S+ 0 0 66 -3,-1.1 4,-1.6 -4,-0.4 -1,-0.2 0.919 111.3 38.5 -58.2 -47.7 -10.6 -19.0 6.5 113 189 A S H X S+ 0 0 3 -4,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.807 114.6 56.1 -72.9 -29.4 -10.7 -19.3 10.3 114 190 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.951 109.2 45.3 -64.4 -50.1 -9.3 -15.8 10.8 115 191 A M H X S+ 0 0 16 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.848 114.6 48.0 -65.5 -34.6 -12.1 -14.2 8.7 116 192 A Y H X S+ 0 0 69 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.852 108.6 52.6 -77.4 -34.1 -14.9 -16.2 10.4 117 193 A A H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.908 112.4 47.5 -60.9 -42.5 -13.6 -15.4 13.9 118 194 A I H ><5S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.2 -2,-0.2 0.927 107.1 55.4 -62.2 -48.0 -13.7 -11.7 12.8 119 195 A M H 3<5S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.785 107.7 51.4 -54.4 -31.0 -17.2 -12.1 11.3 120 196 A N T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.163 116.3-116.3 -94.6 15.8 -18.3 -13.4 14.8 121 197 A N T < 5 + 0 0 65 -3,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.790 61.7 151.5 57.8 37.2 -16.7 -10.4 16.6 122 198 A K < - 0 0 22 -5,-2.0 28,-2.0 27,-0.1 2,-0.7 -0.475 56.9-103.9 -91.2 162.0 -14.1 -12.4 18.5 123 199 A I E -ef 100 150A 33 -24,-2.1 -22,-2.4 26,-0.2 2,-0.8 -0.841 40.4-153.1 -79.3 116.4 -10.7 -11.4 19.9 124 200 A V E -ef 101 151A 0 26,-3.8 28,-3.1 -2,-0.7 2,-1.3 -0.864 9.8-159.4 -99.8 106.5 -8.4 -13.1 17.3 125 201 A A E -ef 102 152A 0 -24,-2.3 -22,-2.3 -2,-0.8 2,-0.6 -0.722 26.8-160.9 -83.0 91.7 -5.0 -13.9 18.8 126 202 A L E +ef 103 153A 0 26,-1.6 28,-2.5 -2,-1.3 29,-1.0 -0.686 38.7 153.2 -96.1 113.4 -3.4 -14.2 15.4 127 203 A A + 0 0 12 -24,-1.7 2,-0.8 -2,-0.6 -1,-0.2 0.779 53.9 97.1 -95.6 -35.0 -0.1 -16.0 14.8 128 204 A N > + 0 0 5 -25,-1.2 4,-0.7 1,-0.2 3,-0.3 -0.366 46.9 177.9 -60.0 97.5 -0.8 -16.8 11.1 129 205 A K H > S+ 0 0 8 -2,-0.8 4,-2.6 1,-0.2 3,-0.2 0.768 71.0 72.7 -75.1 -24.2 1.1 -14.1 9.2 130 206 A E H > S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.874 92.3 56.0 -58.8 -40.7 0.1 -15.5 5.8 131 207 A S H > S+ 0 0 0 -3,-0.3 4,-1.8 -24,-0.3 -1,-0.2 0.901 111.4 43.2 -55.9 -44.5 -3.5 -14.4 6.3 132 208 A I H X S+ 0 0 0 -4,-0.7 4,-1.3 -3,-0.2 -2,-0.2 0.909 114.2 50.4 -69.6 -42.9 -2.4 -10.8 6.8 133 209 A V H < S+ 0 0 1 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.961 121.0 32.1 -62.5 -51.1 0.1 -10.9 4.0 134 210 A S H < S+ 0 0 1 -4,-2.8 207,-0.2 1,-0.2 -1,-0.2 0.737 135.3 25.2 -79.6 -22.8 -2.3 -12.2 1.3 135 211 A A H >X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 3,-0.6 0.129 76.9 129.6-130.4 22.7 -5.6 -10.6 2.6 136 212 A G H 3X S+ 0 0 1 -4,-1.3 4,-2.1 -3,-0.3 5,-0.1 0.859 78.1 41.6 -47.4 -54.1 -4.5 -7.5 4.5 137 213 A F H 3> S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.768 115.2 52.8 -72.7 -21.9 -6.8 -4.9 2.9 138 214 A F H <> S+ 0 0 2 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.886 109.1 47.8 -74.3 -42.9 -9.7 -7.4 3.0 139 215 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.872 109.2 56.1 -64.4 -37.2 -9.2 -8.1 6.7 140 216 A K H X S+ 0 0 30 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.926 109.4 45.2 -55.1 -48.7 -9.1 -4.3 7.1 141 217 A K H X S+ 0 0 69 -4,-1.6 4,-0.9 1,-0.2 3,-0.4 0.890 112.9 50.7 -63.7 -41.9 -12.5 -4.0 5.3 142 218 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 3,-0.4 0.857 107.0 52.7 -65.9 -39.9 -13.9 -6.9 7.4 143 219 A L H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.672 105.0 57.5 -71.0 -18.5 -12.8 -5.3 10.7 144 220 A N H < S+ 0 0 66 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.737 111.4 41.5 -80.3 -26.1 -14.5 -2.1 9.7 145 221 A I H < S+ 0 0 98 -4,-0.9 2,-1.2 -3,-0.4 -2,-0.2 0.915 115.4 49.9 -80.8 -50.0 -17.8 -4.0 9.4 146 222 A H S >< S+ 0 0 43 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 -0.714 72.4 179.9 -97.2 89.9 -17.4 -6.1 12.5 147 223 A K T 3 S+ 0 0 151 -2,-1.2 -1,-0.2 1,-0.3 -4,-0.1 0.691 73.4 50.7 -74.8 -24.4 -16.5 -3.4 15.0 148 224 A N T 3 S+ 0 0 119 -30,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.493 88.5 100.5 -89.4 -7.2 -16.1 -5.5 18.2 149 225 A A < - 0 0 0 -3,-1.2 2,-0.4 -6,-0.1 -26,-0.2 -0.566 54.5-172.1 -74.2 142.0 -13.8 -8.0 16.4 150 226 A K E -f 123 0A 56 -28,-2.0 -26,-3.8 -2,-0.2 2,-0.6 -0.996 22.0-146.7-138.6 136.7 -10.1 -7.4 17.2 151 227 A I E -f 124 0A 1 -2,-0.4 24,-0.5 24,-0.3 -26,-0.2 -0.886 16.7-171.2 -92.3 124.6 -6.8 -8.9 15.8 152 228 A I E -f 125 0A 3 -28,-3.1 -26,-1.6 -2,-0.6 2,-0.1 -0.984 27.4-121.1-113.2 120.4 -4.2 -9.0 18.6 153 229 A P E +f 126 0A 2 0, 0.0 -26,-0.2 0, 0.0 -28,-0.1 -0.368 32.0 175.9 -71.1 135.7 -0.8 -10.0 17.1 154 230 A V + 0 0 0 -28,-2.5 -27,-0.2 -2,-0.1 5,-0.1 0.684 47.5 111.0-104.2 -30.6 0.9 -13.1 18.3 155 231 A D S > S- 0 0 12 -29,-1.0 4,-3.0 1,-0.1 3,-0.4 -0.251 79.3-122.4 -45.7 129.6 3.9 -13.0 15.9 156 232 A S H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.823 106.9 46.2 -54.7 -41.2 6.8 -12.2 18.4 157 233 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 116.6 44.8 -69.2 -38.6 7.9 -9.0 16.6 158 234 A H H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.829 112.6 50.4 -80.0 -33.6 4.4 -7.6 16.3 159 235 A S H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.880 109.8 53.1 -61.2 -43.1 3.5 -8.6 19.8 160 236 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.948 109.5 47.2 -58.0 -49.2 6.7 -6.8 20.9 161 237 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.930 113.1 49.5 -53.7 -48.8 5.6 -3.6 19.0 162 238 A F H >< S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.851 106.6 54.8 -63.6 -40.7 2.1 -3.8 20.5 163 239 A Q H 3< S+ 0 0 7 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.683 102.7 58.7 -65.2 -22.5 3.5 -4.3 24.1 164 240 A C T << S+ 0 0 6 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.498 91.2 89.6 -84.4 -7.9 5.6 -1.0 23.7 165 241 A L S < S- 0 0 4 -3,-1.2 2,-0.6 -4,-0.3 19,-0.0 -0.459 84.3-107.9 -92.3 162.0 2.5 1.2 23.0 166 242 A D >> - 0 0 15 18,-0.2 4,-2.0 411,-0.1 3,-1.6 -0.826 22.7-146.1 -89.7 122.2 0.3 3.0 25.5 167 243 A N H 3> S+ 0 0 1 -2,-0.6 4,-2.2 1,-0.3 -1,-0.1 0.638 94.4 68.0 -68.4 -14.0 -3.0 1.3 25.7 168 244 A N H 34 S+ 0 0 17 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.816 110.3 37.6 -70.4 -27.0 -5.0 4.5 26.2 169 245 A K H X4 S+ 0 0 37 -3,-1.6 3,-1.3 2,-0.1 -2,-0.2 0.858 114.6 53.9 -85.5 -43.6 -4.0 5.4 22.6 170 246 A V H >< S+ 0 0 3 -4,-2.0 3,-2.3 1,-0.2 -2,-0.2 0.914 102.9 58.1 -55.1 -44.8 -4.4 1.8 21.3 171 247 A L T 3< S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.594 95.9 63.7 -67.7 -9.4 -7.9 1.6 22.7 172 248 A K T < S+ 0 0 147 -3,-1.3 -1,-0.3 -5,-0.1 2,-0.2 0.461 123.6 5.2 -84.6 -5.8 -8.8 4.7 20.5 173 249 A T S < S- 0 0 27 -3,-2.3 2,-0.3 -4,-0.2 6,-0.1 -0.597 76.7-132.7-146.8-155.0 -8.1 2.5 17.5 174 250 A K > - 0 0 19 -2,-0.2 3,-0.5 72,-0.1 6,-0.1 -0.941 35.4 -70.6-168.4 161.7 -7.2 -1.2 16.8 175 251 A C T 3 S+ 0 0 2 -24,-0.5 -24,-0.3 -2,-0.3 72,-0.2 -0.188 112.7 25.5 -56.0 147.0 -4.8 -3.3 14.8 176 252 A L T 3 S+ 0 0 0 70,-2.7 2,-0.4 1,-0.3 -1,-0.2 0.844 95.6 124.4 65.3 36.4 -5.2 -3.4 11.0 177 253 A Q X - 0 0 34 -3,-0.5 3,-1.4 69,-0.5 -1,-0.3 -0.958 69.1 -99.4-124.4 145.4 -6.9 -0.0 10.9 178 254 A D T 3 S+ 0 0 97 -2,-0.4 70,-0.1 1,-0.2 67,-0.0 -0.316 106.2 18.4 -56.4 140.4 -6.0 3.1 8.9 179 255 A N T 3> S+ 0 0 87 69,-0.1 4,-2.5 1,-0.1 -1,-0.2 0.532 79.1 132.4 76.2 11.0 -4.1 5.7 11.0 180 256 A F H <> S+ 0 0 0 -3,-1.4 4,-1.7 1,-0.2 68,-0.2 0.901 74.5 46.0 -58.7 -45.2 -3.0 3.3 13.7 181 257 A S H 4>S+ 0 0 10 66,-0.7 5,-2.9 67,-0.2 4,-0.3 0.873 112.2 51.5 -70.3 -35.3 0.6 4.6 13.7 182 258 A K H >45S+ 0 0 145 3,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.916 109.6 49.2 -65.4 -43.3 -0.5 8.2 13.7 183 259 A I H 3<5S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.2 43.9 -62.8 -34.4 -2.8 7.7 16.7 184 260 A N T 3<5S- 0 0 9 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.363 110.7-121.3 -94.5 5.4 0.0 6.0 18.5 185 261 A N T < 5 + 0 0 33 -3,-1.0 86,-1.8 -4,-0.3 2,-0.4 0.792 51.6 166.2 61.5 31.6 2.7 8.5 17.5 186 262 A I E < +G 270 0B 13 -5,-2.9 84,-0.3 84,-0.2 -1,-0.2 -0.658 16.8 172.5 -82.1 128.1 4.8 5.8 15.8 187 263 A N E - 0 0 47 82,-3.0 2,-0.3 -2,-0.4 83,-0.2 0.828 63.4 -7.7 -96.3 -41.9 7.5 7.2 13.5 188 264 A K E -G 269 0B 36 81,-1.9 81,-3.0 61,-0.1 2,-0.4 -0.992 56.3-136.7-160.6 148.9 9.4 4.0 12.6 189 265 A I E -Gh 268 254B 0 64,-2.6 66,-2.9 -2,-0.3 2,-0.7 -0.962 4.1-155.0-118.1 132.9 9.8 0.3 13.4 190 266 A F E -Gh 267 255B 0 77,-2.6 77,-2.1 -2,-0.4 2,-0.7 -0.938 17.1-158.6 -97.5 112.6 12.9 -1.7 13.8 191 267 A L E -Gh 266 256B 0 64,-3.5 66,-2.8 -2,-0.7 2,-0.3 -0.839 11.0-145.2 -96.3 117.1 12.0 -5.3 13.0 192 268 A C E - h 0 257B 8 73,-0.7 2,-0.4 -2,-0.7 66,-0.2 -0.615 17.1-174.8 -88.9 140.4 14.4 -7.7 14.6 193 269 A S E - h 0 258B 9 64,-2.4 66,-3.5 -2,-0.3 69,-0.2 -0.988 32.0-139.3-130.6 140.7 15.5 -11.0 13.0 194 270 A S - 0 0 12 -2,-0.4 5,-0.1 64,-0.2 -1,-0.1 0.752 43.9-128.3 -60.9 -24.8 17.7 -13.8 14.3 195 271 A G - 0 0 0 62,-0.1 3,-0.4 64,-0.1 -1,-0.1 0.239 38.8-115.7 89.2 -11.2 19.1 -13.8 10.7 196 272 A G > - 0 0 6 1,-0.2 3,-0.8 2,-0.1 35,-0.1 -0.077 45.5 -56.1 71.6-174.7 18.5 -17.6 10.5 197 273 A P T 3 S+ 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.606 128.2 57.9 -78.6 -10.1 21.2 -20.3 10.1 198 274 A F T > + 0 0 8 -3,-0.4 3,-1.7 33,-0.2 -2,-0.1 0.205 64.7 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S+ 0 0 16 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.866 110.2 54.8 -70.2 -38.6 18.4 33.5 27.8 460 125 B A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.847 104.6 55.1 -62.4 -35.5 16.0 36.3 28.7 461 126 B R H < S+ 0 0 127 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.884 115.5 37.7 -64.2 -41.1 16.9 38.0 25.4 462 127 B E H < S+ 0 0 95 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.1 0.937 128.0 28.3 -77.1 -51.5 15.9 34.9 23.4 463 128 B F H < S- 0 0 35 -4,-2.8 -19,-0.2 -5,-0.1 -3,-0.2 0.630 82.3-152.5 -94.2 -16.6 12.9 33.5 25.3 464 129 B L < - 0 0 82 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.859 21.3-163.9 47.4 53.0 11.5 36.8 26.8 465 130 B P - 0 0 0 0, 0.0 -20,-0.2 0, 0.0 -19,-0.2 -0.292 28.0-125.5 -69.7 151.6 9.8 35.2 29.9 466 131 B E S S+ 0 0 95 -22,-0.3 26,-2.7 -21,-0.1 2,-0.4 0.833 96.0 42.2 -56.2 -39.3 7.2 37.0 32.0 467 132 B Y E -st 446 492D 34 -22,-2.6 -20,-1.3 24,-0.2 2,-0.4 -0.926 58.5-176.6-118.4 138.3 9.3 36.3 35.1 468 133 B L E -st 447 493D 0 24,-2.4 26,-3.3 -2,-0.4 2,-0.4 -0.997 13.1-179.2-124.7 137.0 13.0 36.5 35.9 469 134 B C E -st 448 494D 0 -22,-2.0 -20,-2.0 -2,-0.4 2,-0.4 -0.998 12.4-170.2-139.8 136.7 14.3 35.4 39.3 470 135 B I E -st 449 495D 0 24,-1.7 26,-2.2 -2,-0.4 -20,-0.2 -0.986 12.1-156.1-124.6 131.3 17.8 35.4 40.8 471 136 B H S S+ 0 0 54 -22,-2.5 2,-0.9 -2,-0.4 -21,-0.2 0.901 80.0 72.3 -74.3 -41.5 18.4 33.7 44.1 472 137 B D > - 0 0 44 -22,-2.6 3,-1.9 1,-0.2 -1,-0.1 -0.672 68.3-161.3 -80.4 103.9 21.5 35.6 45.1 473 138 B K G > S+ 0 0 124 -2,-0.9 3,-1.4 1,-0.3 4,-0.4 0.695 81.8 74.9 -60.1 -20.3 20.3 39.1 46.0 474 139 B S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.733 100.0 43.3 -68.5 -20.4 23.8 40.6 45.5 475 140 B V G <> S+ 0 0 25 -3,-1.9 4,-1.8 1,-0.1 -1,-0.3 0.197 83.7 100.6-108.7 15.6 23.4 40.3 41.7 476 141 B Y H <> S+ 0 0 62 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.936 84.7 46.0 -61.8 -49.8 19.8 41.6 41.5 477 142 B E H > S+ 0 0 127 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.903 110.0 54.1 -60.0 -45.8 20.9 45.1 40.5 478 143 B E H > S+ 0 0 99 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 110.7 47.8 -54.3 -42.1 23.3 43.7 37.9 479 144 B L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.938 109.8 49.8 -67.0 -49.5 20.4 41.7 36.4 480 145 B K H X S+ 0 0 60 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.839 112.4 50.9 -57.4 -33.7 18.0 44.7 36.3 481 146 B E H < S+ 0 0 121 -4,-2.1 3,-0.5 2,-0.2 4,-0.4 0.942 110.4 45.1 -70.8 -50.6 20.7 46.7 34.5 482 147 B L H >< S+ 0 0 39 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.895 110.4 56.1 -57.6 -43.5 21.5 44.2 31.8 483 148 B V H >< S+ 0 0 6 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.769 92.2 69.6 -64.7 -29.1 17.8 43.6 31.1 484 149 B K T 3< S+ 0 0 133 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.718 88.9 66.2 -60.8 -21.5 17.2 47.3 30.5 485 150 B N T < S+ 0 0 97 -3,-1.5 2,-0.6 -4,-0.4 -1,-0.3 0.410 81.0 94.3 -82.1 -0.3 19.2 46.8 27.3 486 151 B I S < S- 0 0 16 -3,-2.0 3,-0.5 3,-0.1 2,-0.2 -0.873 72.7-140.0 -96.3 120.0 16.4 44.5 25.9 487 152 B K S S+ 0 0 155 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.482 78.7 17.8 -77.7 147.6 13.9 46.4 23.7 488 153 B D S S+ 0 0 171 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.880 102.2 112.1 63.1 44.2 10.2 45.7 23.8 489 154 B Y + 0 0 38 -3,-0.5 -1,-0.1 -5,-0.1 -3,-0.1 -0.915 33.6 166.7-157.6 115.8 10.5 43.9 27.2 490 155 B K + 0 0 197 -2,-0.3 2,-0.1 -26,-0.1 -6,-0.0 -0.708 21.4 180.0-128.6 82.9 9.3 44.5 30.8 491 156 B P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 -24,-0.2 -0.400 37.7-110.0 -74.9 157.9 9.7 41.3 32.8 492 157 B I E -t 467 0D 80 -26,-2.7 -24,-2.4 -2,-0.1 2,-0.6 -0.834 38.2-154.0 -81.9 110.6 8.8 41.1 36.5 493 158 B I E +t 468 0D 29 -2,-0.8 -24,-0.2 -26,-0.2 2,-0.2 -0.841 20.3 179.9 -96.8 122.5 12.3 40.8 38.0 494 159 B L E -t 469 0D 21 -26,-3.3 -24,-1.7 -2,-0.6 2,-0.4 -0.632 16.7-131.0-126.8 176.8 12.3 38.9 41.4 495 160 B C E > -t 470 0D 19 -26,-0.2 4,-2.5 -2,-0.2 3,-0.2 -0.983 42.8 -46.0-142.4 133.8 14.5 37.7 44.2 496 161 B G H > S- 0 0 4 -26,-2.2 4,-2.4 -2,-0.4 3,-0.2 0.068 105.6 -21.3 53.8-155.1 15.3 34.7 46.4 497 162 B D H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.860 137.7 56.7 -51.5 -46.5 12.8 32.4 48.0 498 163 B E H > S+ 0 0 137 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 109.3 46.3 -55.5 -44.7 10.1 35.2 47.8 499 164 B G H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 111.8 50.3 -62.1 -51.0 10.6 35.3 44.1 500 165 B M H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.888 111.5 49.1 -52.6 -44.9 10.5 31.5 43.7 501 166 B K H X S+ 0 0 72 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.843 108.8 52.3 -67.6 -35.4 7.3 31.4 45.8 502 167 B E H < S+ 0 0 102 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.892 109.6 49.8 -67.3 -38.7 5.6 34.1 43.6 503 168 B I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.940 109.9 50.3 -65.3 -47.4 6.5 32.2 40.4 504 169 B C H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.1 53.8 -59.2 -33.0 5.0 29.0 41.8 505 170 B S T 3< S+ 0 0 61 -4,-1.4 2,-0.3 -5,-0.1 -1,-0.3 0.543 82.3 116.7 -82.4 -6.4 1.8 30.7 42.8 506 171 B S X - 0 0 12 -3,-1.4 3,-1.4 -4,-0.5 -3,-0.0 -0.457 58.6-150.1 -69.0 126.1 1.2 32.2 39.3 507 172 B N T 3 S+ 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.761 94.6 67.4 -61.4 -25.5 -1.9 31.0 37.5 508 173 B S T 3 S+ 0 0 37 -63,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.256 86.7 78.7 -83.9 9.9 -0.1 31.4 34.2 509 174 B I < + 0 0 0 -3,-1.4 -94,-0.2 1,-0.1 3,-0.1 -0.984 45.1 167.8-121.7 125.1 2.4 28.6 34.9 510 175 B D + 0 0 73 -96,-2.0 24,-2.3 -2,-0.5 2,-0.4 0.802 65.8 29.6 -98.8 -41.4 1.4 25.0 34.4 511 176 B K E -ru 415 534D 31 -97,-2.1 -95,-2.3 22,-0.2 2,-0.5 -0.954 60.2-160.8-131.2 142.7 4.6 23.0 34.5 512 177 B I E -ru 416 535D 0 22,-2.8 24,-2.6 -2,-0.4 2,-0.6 -0.979 9.2-150.2-130.0 121.5 7.9 23.6 36.3 513 178 B V E -ru 417 536D 0 -97,-2.8 -95,-2.8 -2,-0.5 2,-0.9 -0.792 12.8-153.9 -85.7 120.7 11.2 22.0 35.4 514 179 B I E +ru 418 537D 0 22,-2.7 24,-1.8 -2,-0.6 25,-1.3 -0.831 34.0 150.6-100.1 98.2 13.3 21.6 38.6 515 180 B G + 0 0 16 -97,-2.8 -90,-0.3 -2,-0.9 2,-0.3 -0.026 29.3 124.3-116.0 26.9 17.0 21.6 37.5 516 181 B I - 0 0 29 5,-0.1 2,-0.1 -92,-0.1 5,-0.1 -0.691 61.0-121.3 -80.9 139.8 18.4 23.1 40.7 517 182 B D - 0 0 106 -2,-0.3 4,-0.4 22,-0.1 3,-0.3 -0.466 57.6 -5.4 -86.6 156.5 21.1 20.8 42.2 518 183 B S S > S- 0 0 17 1,-0.2 3,-2.2 2,-0.2 4,-0.3 0.159 110.1 -33.9 66.7-175.8 21.3 19.1 45.6 519 184 B F T > S+ 0 0 7 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.795 126.2 74.0 -44.5 -38.0 19.1 19.4 48.8 520 185 B Q T >> S+ 0 0 80 1,-0.3 3,-1.0 -3,-0.3 4,-0.6 0.764 84.0 67.5 -49.7 -32.4 18.4 23.1 47.9 521 186 B G H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.4 -1,-0.3 0.755 83.6 74.4 -61.1 -24.8 16.1 21.8 45.0 522 187 B L H <> S+ 0 0 0 -3,-2.2 4,-2.6 -4,-0.3 -1,-0.2 0.841 87.2 60.2 -59.5 -34.5 13.7 20.5 47.6 523 188 B Y H <> S+ 0 0 70 -3,-1.0 4,-2.0 -4,-0.4 -1,-0.2 0.938 109.6 39.5 -62.4 -50.1 12.4 24.0 48.5 524 189 B S H X S+ 0 0 4 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.877 114.0 55.4 -68.7 -36.9 11.1 24.8 45.0 525 190 B T H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.935 108.9 48.4 -56.2 -49.2 9.8 21.2 44.5 526 191 B M H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.930 113.5 46.0 -58.1 -48.0 7.8 21.6 47.7 527 192 B Y H X S+ 0 0 67 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.869 109.5 53.3 -70.5 -35.3 6.3 25.0 46.7 528 193 B A H ><>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 3,-0.8 0.955 111.4 47.2 -60.3 -48.7 5.4 23.9 43.2 529 194 B I H ><5S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.912 107.1 56.4 -57.2 -45.3 3.5 20.9 44.6 530 195 B M H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.733 107.1 51.1 -62.2 -22.6 1.7 23.1 47.2 531 196 B N T <<5S- 0 0 52 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.095 118.1-114.5-100.0 21.5 0.5 25.2 44.2 532 197 B N T < 5 + 0 0 64 -3,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.800 62.9 153.6 53.7 38.3 -0.8 22.1 42.4 533 198 B K < - 0 0 21 -5,-1.8 28,-1.6 -6,-0.1 2,-0.6 -0.448 54.1-106.3 -91.0 164.2 1.7 22.3 39.5 534 199 B I E -uv 511 561D 34 -24,-2.3 -22,-2.8 26,-0.2 2,-0.7 -0.842 38.8-153.4 -86.1 121.1 3.1 19.7 37.3 535 200 B V E -uv 512 562D 0 26,-3.1 28,-2.9 -2,-0.6 2,-1.3 -0.879 12.1-160.7-108.6 107.8 6.7 19.2 38.5 536 201 B A E -uv 513 563D 0 -24,-2.6 -22,-2.7 -2,-0.7 2,-0.7 -0.727 26.3-160.3 -83.1 94.1 9.2 18.0 35.9 537 202 B L E +uv 514 564D 1 26,-1.5 28,-2.5 -2,-1.3 29,-0.9 -0.692 38.1 153.5 -94.4 109.4 11.7 16.8 38.5 538 203 B A + 0 0 12 -24,-1.8 2,-0.7 -2,-0.7 -1,-0.2 0.756 55.1 95.7 -91.1 -34.4 15.4 16.3 37.6 539 204 B N > + 0 0 5 -25,-1.3 4,-0.6 1,-0.2 3,-0.2 -0.423 48.4 177.3 -63.0 102.2 16.6 17.0 41.2 540 205 B K H > + 0 0 7 -2,-0.7 4,-2.5 1,-0.2 3,-0.3 0.776 69.5 72.3 -80.5 -27.0 16.9 13.5 42.7 541 206 B E H > S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.846 93.1 56.3 -57.2 -38.3 18.3 14.7 46.0 542 207 B S H > S+ 0 0 0 -3,-0.2 4,-1.4 -24,-0.2 -1,-0.2 0.885 110.0 44.1 -61.5 -42.3 14.8 16.1 47.0 543 208 B I H X S+ 0 0 1 -4,-0.6 4,-1.5 -3,-0.3 -2,-0.2 0.903 115.6 49.0 -67.5 -42.3 13.2 12.6 46.5 544 209 B V H < S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.962 119.5 35.7 -66.3 -48.7 16.0 10.9 48.3 545 210 B S H < S+ 0 0 3 -4,-3.3 207,-0.2 1,-0.2 -1,-0.2 0.715 136.2 20.2 -76.5 -18.3 16.1 13.2 51.3 546 211 B A H X S+ 0 0 4 -4,-1.4 4,-3.1 -5,-0.2 5,-0.2 0.119 74.1 129.8-143.3 25.4 12.3 13.8 51.5 547 212 B G H X S+ 0 0 2 -4,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.886 81.1 46.4 -49.4 -50.3 10.5 11.0 49.6 548 213 B F H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.905 113.7 49.7 -63.2 -41.0 8.0 10.3 52.5 549 214 B F H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.925 110.4 49.9 -61.7 -47.5 7.4 14.0 53.0 550 215 B L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.892 108.1 53.0 -59.9 -40.7 6.7 14.5 49.2 551 216 B K H X S+ 0 0 59 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.927 110.9 47.5 -58.0 -45.4 4.3 11.5 49.2 552 217 B K H X S+ 0 0 44 -4,-2.0 4,-1.1 1,-0.2 3,-0.2 0.944 112.6 49.3 -58.5 -50.7 2.4 13.1 52.1 553 218 B L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.828 108.9 52.0 -59.5 -38.1 2.4 16.5 50.3 554 219 B L H < S+ 0 0 6 -4,-2.4 -1,-0.2 2,-0.2 6,-0.2 0.827 104.9 55.7 -72.6 -30.7 1.1 15.0 47.0 555 220 B N H < S+ 0 0 93 -4,-1.7 3,-0.2 -3,-0.2 -1,-0.2 0.761 112.3 44.4 -73.7 -22.0 -1.8 13.3 48.8 556 221 B I H < S+ 0 0 99 -4,-1.1 2,-1.3 1,-0.2 -2,-0.2 0.915 114.9 47.3 -77.3 -51.6 -2.8 16.8 50.1 557 222 B H S >< S+ 0 0 40 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 -0.687 74.4 179.3 -97.9 84.8 -2.3 18.6 46.8 558 223 B K T 3 S+ 0 0 136 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.1 0.603 73.3 53.9 -70.3 -16.5 -4.2 16.2 44.6 559 224 B N T 3 S+ 0 0 125 -30,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.520 90.5 93.8 -95.4 -7.3 -3.8 18.1 41.3 560 225 B A < - 0 0 0 -3,-1.5 2,-0.3 -6,-0.2 -26,-0.2 -0.489 54.9-174.7 -78.2 154.0 0.0 18.2 41.6 561 226 B K E -v 534 0D 67 -28,-1.6 -26,-3.1 -2,-0.2 2,-0.5 -0.988 24.0-140.8-145.4 145.3 2.2 15.6 40.0 562 227 B I E -v 535 0D 1 -2,-0.3 24,-0.5 24,-0.3 -26,-0.2 -0.958 19.4-171.1 -98.1 124.8 5.9 14.7 40.0 563 228 B I E -v 536 0D 3 -28,-2.9 -26,-1.5 -2,-0.5 7,-0.1 -0.987 27.3-120.7-113.0 120.5 6.9 13.6 36.5 564 229 B P E +v 537 0D 2 0, 0.0 -26,-0.2 0, 0.0 -28,-0.1 -0.345 31.8 176.1 -69.9 138.6 10.4 12.2 36.5 565 230 B V + 0 0 0 -28,-2.5 -27,-0.2 -51,-0.1 5,-0.1 0.641 47.7 110.7-107.4 -28.8 13.2 13.8 34.4 566 231 B D S > S- 0 0 12 -29,-0.9 4,-3.1 1,-0.1 5,-0.3 -0.263 78.3-123.8 -47.6 131.3 16.1 11.6 35.6 567 232 B S H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.844 106.5 47.8 -60.5 -37.5 16.8 9.5 32.4 568 233 B E H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 116.6 43.5 -67.3 -39.7 16.5 6.1 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-1,-0.3 -4,-0.5 -2,-0.2 0.406 79.1 130.7-107.0 -1.1 44.4 6.8 43.8 620 285 B V < - 0 0 18 -3,-1.6 152,-0.4 -4,-0.3 2,-0.3 -0.200 42.6-148.3 -59.4 146.6 41.7 8.4 41.5 621 286 B T > - 0 0 52 150,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.732 24.3-113.4-112.0 161.7 41.5 12.2 41.4 622 287 B S H > S+ 0 0 9 143,-0.4 4,-1.9 -2,-0.3 5,-0.1 0.837 114.0 62.5 -63.4 -33.0 38.6 14.5 40.9 623 288 B E H 4 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.947 110.9 38.8 -58.7 -43.9 40.1 15.8 37.6 624 289 B N H >4 S+ 0 0 73 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.825 110.8 59.1 -73.1 -31.7 39.8 12.3 36.2 625 290 B A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 99.2 60.2 -62.5 -32.4 36.5 11.7 37.9 626 291 B L T 3< S+ 0 0 62 -4,-1.9 2,-1.5 1,-0.2 -1,-0.2 0.580 82.1 87.6 -74.0 -10.8 35.1 14.7 36.0 627 292 B K < - 0 0 132 -3,-1.1 -1,-0.2 -4,-0.3 5,-0.1 -0.578 66.0-171.9 -89.9 73.2 35.8 13.1 32.6 628 293 B H - 0 0 26 -2,-1.5 -2,-0.1 3,-0.2 -3,-0.0 -0.498 20.9-141.4 -69.2 131.7 32.6 11.2 32.2 629 294 B P S S+ 0 0 74 0, 0.0 -1,-0.1 0, 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53.8 -61.7 -43.0 31.5 13.1 40.8 640 305 B D H X>S+ 0 0 1 -4,-2.1 6,-2.3 1,-0.2 5,-0.9 0.828 105.4 53.6 -58.5 -36.7 28.5 11.0 42.0 641 306 B S H <5S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 104.9 55.0 -67.2 -33.7 28.6 9.1 38.7 642 307 B A H <5S+ 0 0 0 -4,-1.4 -33,-0.2 -3,-0.3 -2,-0.2 0.845 116.9 35.0 -69.3 -33.3 32.3 8.3 39.3 643 308 B T H <5S- 0 0 3 -4,-1.5 93,-0.4 91,-0.0 94,-0.3 0.523 107.6-125.2 -93.7 -9.5 31.6 6.7 42.7 644 309 B M T X5S+ 0 0 2 -4,-0.8 4,-1.7 -5,-0.2 -3,-0.2 0.575 78.1 125.0 64.5 11.6 28.2 5.3 41.5 645 310 B M H >< + 0 0 0 -5,-0.9 4,-2.9 -6,-0.2 5,-0.2 0.813 68.3 65.3 -58.7 -30.2 26.6 7.1 44.4 646 311 B N H > S+ 0 0 11 -6,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.964 102.4 44.3 -53.7 -51.9 24.5 8.5 41.6 647 312 B K H > S+ 0 0 5 -7,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.857 111.1 55.5 -60.3 -37.5 23.2 5.1 41.0 648 313 B G H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.926 108.2 46.6 -61.1 -48.8 22.7 4.6 44.7 649 314 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.899 110.8 54.9 -57.5 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-4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.914 113.2 45.1 -61.3 -45.5 26.3 17.6 57.0 811 476 B D H X S+ 0 0 93 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.920 111.9 52.5 -65.5 -43.3 28.0 18.9 60.1 812 477 B K H X S+ 0 0 52 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.920 108.9 49.9 -57.2 -47.1 28.8 15.3 61.3 813 478 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 112.5 47.0 -58.2 -45.4 30.4 14.5 58.0 814 479 B T H X S+ 0 0 50 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.879 110.4 53.4 -63.2 -39.6 32.6 17.7 58.2 815 480 B D H X S+ 0 0 80 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.889 108.6 49.2 -61.2 -43.3 33.4 16.8 61.8 816 481 B I H X S+ 0 0 10 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.924 113.1 47.5 -61.0 -47.1 34.6 13.3 60.7 817 482 B Y H X S+ 0 0 46 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.923 110.7 51.7 -56.4 -49.5 36.7 15.0 58.0 818 483 B N H < S+ 0 0 97 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 105.6 56.0 -58.2 -38.3 38.1 17.5 60.5 819 484 B K H < S+ 0 0 143 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.833 117.4 32.8 -64.4 -38.4 39.2 14.8 62.9 820 485 B H H < 0 0 165 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.1 0.957 360.0 360.0 -82.9 -69.5 41.3 12.9 60.3 821 486 B N < 0 0 129 -4,-1.7 -3,-0.1 -5,-0.2 -51,-0.1 0.709 360.0 360.0 -80.5 360.0 42.7 15.6 58.0