==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-JAN-13 4IU9 . COMPND 2 MOLECULE: NITRITE EXTRUSION PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.YAN,W.HUANG,C.YAN,X.GONG,S.JIANG,Y.ZHAO,J.WANG,Y.SHI . 823 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 2 0.2 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 . 25 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 5 2 5 2 0 1 6 0 3 2 2 4 3 0 2 1 1 0 2 1 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 1 1 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 . 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 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 12 B L 0 0 159 0, 0.0 2,-0.9 0, 0.0 223,-0.2 0.000 360.0 360.0 360.0 135.1 -10.7 11.9 -9.6 2 13 B L - 0 0 31 221,-2.0 2,-0.2 3,-0.0 3,-0.2 -0.779 360.0-174.6-106.1 85.9 -12.4 9.3 -7.4 3 14 B R S S+ 0 0 71 -2,-0.9 221,-0.0 1,-0.2 0, 0.0 -0.550 70.3 27.3 -75.5 147.9 -9.8 8.1 -4.9 4 15 B D S S+ 0 0 149 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 1.000 75.6 169.2 58.6 71.6 -11.1 5.2 -2.8 5 16 B W + 0 0 42 -3,-0.2 -1,-0.2 219,-0.1 12,-0.0 -0.807 9.7 152.0-115.5 92.1 -13.7 3.8 -5.1 6 17 B K + 0 0 59 -2,-0.6 6,-0.1 1,-0.1 7,-0.1 -0.917 8.3 168.2-117.0 101.4 -15.0 0.4 -3.9 7 18 B P + 0 0 23 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.528 59.9 77.8 -95.9 -7.0 -18.5 0.0 -5.2 8 19 B E S S+ 0 0 109 137,-0.1 140,-0.1 138,-0.1 -2,-0.0 0.959 71.5 89.4 -67.0 -51.2 -19.1 -3.6 -4.3 9 20 B N S > S- 0 0 86 1,-0.1 4,-2.0 -3,-0.1 3,-0.4 -0.303 76.4-140.2 -54.5 109.6 -19.8 -3.0 -0.6 10 21 B P H > S+ 0 0 94 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.724 98.0 56.1 -49.6 -36.2 -23.5 -2.4 -0.2 11 22 B A H > S+ 0 0 48 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.987 109.4 41.8 -56.2 -66.4 -23.0 0.3 2.4 12 23 B F H > S+ 0 0 66 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.869 118.0 49.7 -51.4 -43.8 -20.7 2.5 0.2 13 24 B W H X>S+ 0 0 11 -4,-2.0 5,-2.4 4,-0.2 4,-1.1 0.966 113.5 42.1 -61.4 -56.1 -22.9 2.0 -2.8 14 25 B E H <5S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.780 122.8 40.5 -67.0 -25.6 -26.2 2.8 -1.1 15 26 B N H <5S- 0 0 122 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.917 141.0 -13.4 -90.1 -49.0 -24.8 5.7 0.7 16 27 B K H <5S+ 0 0 147 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.1 -0.467 121.0 64.8-157.8 69.4 -22.5 7.5 -1.8 17 28 B G T X5S+ 0 0 0 -4,-1.1 4,-3.3 -6,-0.1 3,-0.4 0.221 90.3 55.1-151.9 -62.1 -21.8 5.3 -4.8 18 29 B K H > S+ 0 0 103 -6,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.856 110.9 42.8 -85.8 -39.0 -25.5 8.4 -7.0 20 31 B I H > S+ 0 0 20 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.933 118.0 47.8 -63.0 -48.6 -22.1 8.9 -8.6 21 32 B A H X S+ 0 0 0 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.918 112.1 49.0 -60.8 -45.0 -22.7 5.8 -10.7 22 33 B R H X S+ 0 0 124 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.931 112.2 46.7 -64.3 -44.8 -26.2 7.0 -11.7 23 34 B R H X S+ 0 0 110 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.979 113.1 49.3 -59.4 -51.8 -25.1 10.5 -12.7 24 35 B N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.808 108.6 56.3 -56.7 -26.6 -22.2 9.1 -14.7 25 36 B L H X S+ 0 0 7 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.916 108.1 45.3 -72.7 -43.0 -24.7 6.7 -16.3 26 37 B W H X S+ 0 0 133 -4,-2.2 4,-2.2 -3,-0.3 -2,-0.2 0.916 114.4 46.4 -71.7 -40.4 -26.9 9.5 -17.6 27 38 B I H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.954 113.7 51.3 -59.3 -47.6 -24.0 11.6 -18.9 28 39 B S H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.918 108.8 51.0 -55.7 -45.3 -22.6 8.5 -20.5 29 40 B V H X S+ 0 0 12 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.904 108.5 50.2 -62.5 -41.4 -25.9 7.6 -22.2 30 41 B S H X S+ 0 0 68 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.960 111.3 48.7 -63.6 -45.5 -26.3 11.1 -23.7 31 42 B C H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.891 113.2 47.5 -60.8 -39.2 -22.8 11.1 -25.2 32 43 B L H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.918 108.8 53.5 -64.8 -46.9 -23.3 7.5 -26.6 33 44 B L H X S+ 0 0 46 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.951 112.5 44.8 -56.1 -47.2 -26.7 8.4 -28.2 34 45 B L H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.907 108.1 57.8 -64.4 -36.8 -25.1 11.4 -29.9 35 46 B A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.890 109.7 45.1 -60.5 -38.5 -22.1 9.3 -31.0 36 47 B F H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.869 108.5 57.0 -70.9 -37.7 -24.5 7.0 -32.8 37 48 B C H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.944 115.1 37.4 -55.4 -48.1 -26.4 9.9 -34.2 38 49 B V H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.867 111.3 61.2 -70.4 -38.9 -23.2 11.2 -35.8 39 50 B W H 3< S+ 0 0 0 -4,-2.3 3,-0.3 91,-0.4 -2,-0.2 0.919 112.8 33.9 -54.2 -50.3 -21.8 7.7 -36.7 40 51 B M T >< S+ 0 0 3 -4,-1.9 3,-0.7 1,-0.2 -1,-0.3 0.035 83.8 118.8 -99.1 23.6 -24.7 6.7 -39.0 41 52 B L G X + 0 0 1 -3,-1.4 3,-2.4 1,-0.2 4,-0.5 0.895 63.5 62.7 -57.6 -46.7 -25.4 10.2 -40.4 42 53 B F G >> S+ 0 0 3 -3,-0.3 4,-2.4 1,-0.3 3,-1.5 0.802 84.6 78.5 -55.6 -29.6 -24.6 9.5 -44.1 43 54 B S G <4 S+ 0 0 1 -3,-0.7 -1,-0.3 1,-0.3 4,-0.3 0.703 107.5 28.9 -54.1 -23.0 -27.5 7.0 -44.2 44 55 B A G <4 S+ 0 0 3 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.307 116.7 58.0-122.0 7.2 -29.9 10.0 -44.5 45 56 B V T X> S+ 0 0 1 -3,-1.5 3,-1.6 -4,-0.5 4,-1.5 0.806 101.3 54.3 -95.1 -42.1 -27.7 12.6 -46.2 46 57 B T H 3X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.3 3,-0.4 0.911 97.2 62.2 -62.0 -49.2 -26.9 10.5 -49.3 47 58 B V H 34 S+ 0 0 10 -5,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.576 117.7 34.4 -44.6 -12.5 -30.6 9.8 -50.2 48 59 B N H X4 S+ 0 0 2 -3,-1.6 3,-2.2 2,-0.1 -2,-0.2 0.596 94.6 86.6-119.9 -23.1 -30.8 13.7 -50.6 49 60 B L H ><>S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.4 5,-1.0 0.878 89.5 49.3 -51.3 -48.5 -27.3 14.5 -51.9 50 61 B N T 3<5S+ 0 0 73 -4,-0.9 -1,-0.3 1,-0.3 -3,-0.1 0.368 104.7 63.6 -72.0 7.6 -28.2 14.1 -55.6 51 62 B K T < 5S+ 0 0 83 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.232 98.9 54.0-110.1 7.4 -31.3 16.2 -55.1 52 63 B I T < 5S- 0 0 27 -3,-1.4 -2,-0.2 2,-0.1 -3,-0.1 0.486 130.8 -66.1-131.7 -9.9 -29.3 19.3 -54.2 53 64 B G T 5S+ 0 0 55 1,-0.5 -3,-0.1 -4,-0.4 -4,-0.1 0.001 96.5 114.5 143.3 -24.2 -26.8 19.9 -57.1 54 65 B F < - 0 0 8 -5,-1.0 -1,-0.5 56,-0.1 -2,-0.1 -0.250 49.1-156.2 -75.7 162.5 -24.5 16.9 -56.8 55 66 B N + 0 0 155 58,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.462 30.2 158.2-137.0 60.6 -24.2 14.2 -59.4 56 67 B F - 0 0 20 1,-0.1 -6,-0.1 2,-0.0 5,-0.0 -0.624 37.8-119.4 -91.7 144.2 -22.9 11.1 -57.6 57 68 B T > - 0 0 74 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.261 24.7-110.9 -77.2 169.4 -23.3 7.5 -58.8 58 69 B T H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.935 118.5 53.1 -65.6 -44.8 -25.2 4.8 -57.0 59 70 B D H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.844 109.3 52.5 -59.3 -31.8 -22.0 2.8 -56.2 60 71 B Q H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 108.9 46.7 -69.2 -44.5 -20.6 6.1 -54.7 61 72 B L H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.939 112.9 49.2 -64.7 -49.0 -23.5 6.8 -52.4 62 73 B F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 110.1 52.4 -58.9 -38.2 -23.6 3.2 -51.2 63 74 B L H X S+ 0 0 38 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.881 107.2 54.0 -62.0 -39.0 -19.8 3.4 -50.6 64 75 B L H < S+ 0 0 0 -4,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.925 110.8 42.9 -63.0 -47.5 -20.4 6.6 -48.5 65 76 B T H < S+ 0 0 2 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.860 118.7 46.1 -69.4 -30.8 -22.9 5.0 -46.2 66 77 B A H < S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.2 0.679 98.3 74.7 -80.9 -16.7 -20.8 1.9 -45.9 67 78 B L S >X S+ 0 0 18 -4,-1.4 3,-1.3 -3,-0.2 4,-0.9 0.865 83.6 60.0 -68.9 -42.9 -17.5 3.8 -45.3 68 79 B P H >> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 3,-1.5 0.909 97.5 61.2 -52.0 -45.0 -17.9 5.0 -41.7 69 80 B S H 3> S+ 0 0 0 -4,-0.4 4,-2.2 321,-0.3 322,-0.2 0.732 97.2 60.2 -58.2 -23.6 -18.2 1.5 -40.4 70 81 B V H <4 S+ 0 0 52 -3,-1.3 4,-0.3 -4,-0.5 -1,-0.3 0.854 110.0 41.3 -69.1 -34.9 -14.7 0.8 -41.8 71 82 B S H << S+ 0 0 18 -3,-1.5 4,-0.5 -4,-0.9 -2,-0.2 0.741 118.6 45.7 -84.8 -25.3 -13.3 3.6 -39.5 72 83 B G H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 3,-0.4 0.862 108.7 52.7 -84.3 -40.6 -15.4 2.6 -36.5 73 84 B A T < S+ 0 0 10 -4,-2.2 4,-0.2 1,-0.2 315,-0.2 0.596 113.8 46.2 -71.3 -12.0 -14.8 -1.2 -36.6 74 85 B L T 4 S+ 0 0 129 -4,-0.3 -1,-0.2 -5,-0.1 -2,-0.2 0.619 110.8 49.8-103.4 -17.7 -11.1 -0.6 -36.7 75 86 B L T > S+ 0 0 44 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.421 88.3 80.2-104.1 -0.2 -10.9 2.0 -33.9 76 87 B R H X S+ 0 0 5 -4,-0.7 4,-2.2 2,-0.2 5,-0.2 0.890 88.6 56.0 -76.0 -37.0 -12.8 0.3 -31.2 77 88 B V H > S+ 0 0 48 2,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.861 115.2 37.7 -65.1 -37.2 -9.9 -1.9 -30.2 78 89 B P H > S+ 0 0 51 0, 0.0 4,-0.6 0, 0.0 -2,-0.2 0.913 113.5 56.8 -74.4 -42.8 -7.7 1.1 -29.6 79 90 B Y H X S+ 0 0 9 -4,-2.5 4,-0.6 1,-0.2 3,-0.5 0.810 103.9 53.9 -55.7 -34.7 -10.6 3.2 -28.1 80 91 B S H >< S+ 0 0 40 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.965 111.2 44.9 -65.4 -48.8 -11.2 0.5 -25.5 81 92 B F H 3< S+ 0 0 98 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.487 102.0 71.5 -70.8 -2.5 -7.6 0.6 -24.4 82 93 B M H >X S+ 0 0 52 -4,-0.6 4,-1.2 -3,-0.5 3,-0.8 0.728 84.6 67.1 -85.0 -20.3 -7.7 4.4 -24.4 83 94 B V H > S+ 0 0 39 -2,-0.9 4,-3.7 -3,-0.2 3,-1.7 0.494 111.6 41.6-124.6 -56.8 -14.3 11.8 -18.6 90 101 B R H 3X S+ 0 0 131 -4,-0.6 4,-1.8 1,-0.3 -2,-0.2 0.761 119.5 49.7 -62.5 -26.1 -11.4 13.5 -20.3 91 102 B W H 3< S+ 0 0 19 -4,-2.1 -1,-0.3 2,-0.2 -3,-0.1 0.258 112.3 46.6 -97.7 7.7 -11.7 10.8 -22.9 92 103 B T H <4 S+ 0 0 14 -3,-1.7 -2,-0.2 -5,-0.2 5,-0.2 0.679 112.5 49.2-104.8 -41.6 -15.4 11.5 -23.2 93 104 B V H >X S+ 0 0 27 -4,-3.7 4,-1.8 124,-0.2 3,-0.8 0.946 121.7 35.7 -52.7 -54.3 -14.9 15.2 -23.3 94 105 B F H 3X S+ 0 0 97 -4,-1.8 4,-1.7 1,-0.2 3,-0.3 0.969 114.8 54.0 -64.7 -56.4 -12.3 14.7 -26.0 95 106 B S H 34 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.330 116.2 41.8 -68.2 11.5 -13.9 11.8 -27.8 96 107 B T H X4 S+ 0 0 1 -3,-0.8 3,-1.0 -4,-0.1 4,-0.3 0.591 106.6 56.3-125.7 -31.2 -17.1 13.9 -28.1 97 108 B A H >< S+ 0 0 37 -4,-1.8 3,-1.1 -3,-0.3 4,-0.4 0.786 97.8 65.8 -70.5 -27.9 -15.8 17.4 -29.1 98 109 B I T 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.448 87.2 69.0 -78.3 2.8 -14.0 16.0 -32.1 99 110 B L T <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.692 83.4 71.5 -88.6 -19.7 -17.3 15.1 -33.7 100 111 B I H <> S+ 0 0 50 -3,-1.1 4,-2.8 -4,-0.3 5,-0.4 0.863 90.8 64.3 -55.6 -34.7 -17.9 18.8 -34.1 101 112 B I H > S+ 0 0 88 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.983 108.2 33.4 -57.6 -64.6 -15.2 18.5 -36.8 102 113 B P H > S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.804 119.4 54.8 -66.4 -23.4 -17.1 16.2 -39.2 103 114 B C H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.986 114.2 37.2 -68.3 -56.1 -20.5 17.7 -38.3 104 115 B V H X S+ 0 0 60 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.834 119.8 50.9 -60.6 -33.8 -19.4 21.4 -39.1 105 116 B W H >X S+ 0 0 87 -4,-2.4 4,-2.3 -5,-0.4 3,-1.3 0.960 108.2 49.2 -70.0 -53.3 -17.4 20.1 -42.0 106 117 B L H 3X S+ 0 0 3 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.805 106.9 58.2 -57.5 -29.3 -20.2 18.0 -43.6 107 118 B G H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 96,-0.2 -2,-0.2 0.789 108.7 47.3 -67.6 -26.7 -22.4 21.1 -43.2 108 119 B I H XX S+ 0 0 99 -3,-1.3 3,-1.5 -4,-0.7 4,-1.0 0.945 109.6 48.3 -78.8 -51.0 -19.9 23.0 -45.3 109 120 B A H >< S+ 0 0 6 -4,-2.3 3,-1.0 1,-0.3 6,-0.3 0.940 102.4 61.9 -59.3 -51.4 -19.4 20.5 -48.2 110 121 B V T 3< S+ 0 0 4 -4,-1.4 -1,-0.3 1,-0.2 89,-0.1 0.596 101.0 55.9 -45.9 -18.7 -23.2 19.9 -48.8 111 122 B Q T <4 S+ 0 0 53 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.2 0.863 94.7 71.2 -83.6 -41.3 -23.5 23.6 -49.7 112 123 B N X< - 0 0 86 -4,-1.0 3,-1.1 -3,-1.0 -1,-0.1 -0.679 64.6-167.8 -78.3 110.1 -20.9 23.6 -52.4 113 124 B P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 0.312 83.7 61.8 -84.9 12.4 -22.4 21.6 -55.4 114 125 B N T 3 S+ 0 0 146 -5,-0.2 -2,-0.0 -60,-0.1 -5,-0.0 0.166 74.8 127.3-114.8 13.1 -19.0 21.4 -57.0 115 126 B T < - 0 0 24 -3,-1.1 2,-0.1 -6,-0.3 5,-0.0 -0.514 60.3-110.1 -82.3 140.9 -17.2 19.5 -54.3 116 127 B P >> - 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.327 13.4-125.8 -68.3 143.4 -15.2 16.3 -55.1 117 128 B F H 3> S+ 0 0 43 1,-0.3 4,-0.7 2,-0.2 -2,-0.0 0.803 108.4 70.8 -50.8 -31.8 -16.3 12.7 -54.0 118 129 B G H 3> S+ 0 0 47 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.774 93.2 52.6 -61.8 -29.6 -12.8 12.6 -52.5 119 130 B I H <> S+ 0 0 55 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.929 103.3 55.7 -73.0 -47.2 -13.7 15.0 -49.7 120 131 B F H X S+ 0 0 0 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.645 101.1 63.5 -58.2 -16.6 -16.8 13.0 -48.7 121 132 B I H X S+ 0 0 44 -4,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.971 105.5 40.9 -68.0 -57.2 -14.4 10.1 -48.3 122 133 B V H X S+ 0 0 55 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.810 116.6 51.1 -66.7 -25.1 -12.4 11.7 -45.5 123 134 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.887 107.1 52.7 -75.9 -34.3 -15.7 13.0 -44.0 124 135 B A H X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.928 113.5 46.0 -60.8 -40.9 -17.1 9.5 -44.1 125 136 B L H >X S+ 0 0 52 -4,-2.5 3,-1.1 2,-0.2 4,-1.1 0.965 112.8 45.9 -61.8 -58.4 -14.0 8.4 -42.2 126 137 B L H 3< S+ 0 0 55 -4,-2.5 3,-0.3 1,-0.3 4,-0.3 0.835 112.7 53.0 -61.0 -28.6 -14.0 11.1 -39.7 127 138 B C H >< S+ 0 0 1 -4,-2.3 3,-0.7 1,-0.2 -1,-0.3 0.755 103.4 58.3 -71.1 -26.8 -17.8 10.4 -39.2 128 139 B G H X< S+ 0 0 0 -3,-1.1 3,-1.1 -4,-0.9 -2,-0.2 0.668 86.0 78.9 -78.4 -18.6 -16.9 6.8 -38.7 129 140 B F G >< S+ 0 0 64 -4,-1.1 3,-1.3 -3,-0.3 -1,-0.2 0.785 81.9 66.7 -56.5 -29.0 -14.7 7.8 -35.7 130 141 B A G < S+ 0 0 1 -3,-0.7 -91,-0.4 -4,-0.3 -1,-0.3 -0.021 85.9 69.2 -88.5 31.7 -17.9 8.1 -33.6 131 142 B G G < S+ 0 0 0 -3,-1.1 4,-0.3 -63,-0.1 -1,-0.2 0.213 89.8 61.8-122.2 2.0 -18.6 4.4 -33.7 132 143 B A S <> S+ 0 0 0 -3,-1.3 4,-1.4 2,-0.1 -2,-0.2 0.429 83.5 80.0-100.2 -8.9 -15.6 3.7 -31.6 133 144 B N H > S+ 0 0 6 1,-0.2 4,-2.0 -4,-0.2 -1,-0.1 0.695 83.6 64.8 -70.1 -17.5 -17.2 5.7 -28.8 134 145 B F H > S+ 0 0 13 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.947 101.2 46.9 -68.2 -48.1 -19.3 2.6 -28.1 135 146 B A H > S+ 0 0 14 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.893 117.4 42.6 -58.7 -41.4 -16.3 0.6 -27.1 136 147 B S H X S+ 0 0 5 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.848 114.1 50.0 -77.7 -33.5 -14.9 3.3 -24.8 137 148 B S H X S+ 0 0 11 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.614 114.2 47.1 -77.9 -11.7 -18.4 4.2 -23.4 138 149 B M H X S+ 0 0 40 -4,-1.1 4,-0.5 2,-0.1 -2,-0.2 0.744 113.2 46.9 -96.6 -31.6 -18.9 0.5 -22.6 139 150 B G H X S+ 0 0 31 -4,-1.7 4,-0.5 -5,-0.2 3,-0.3 0.894 112.9 51.4 -70.8 -40.3 -15.5 0.1 -21.1 140 151 B N H < S+ 0 0 6 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.849 106.6 47.0 -70.7 -39.4 -15.8 3.2 -18.9 141 152 B I H >X S+ 0 0 0 -4,-0.6 4,-0.8 1,-0.2 3,-0.7 0.650 93.5 77.8 -84.0 -13.2 -19.2 2.7 -17.2 142 153 B S H >< S+ 0 0 23 -4,-0.5 3,-0.8 -3,-0.3 -1,-0.2 0.888 89.6 56.4 -61.7 -39.0 -18.6 -0.9 -16.1 143 154 B F T 3< S+ 0 0 110 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.786 100.5 61.1 -62.0 -27.2 -16.3 0.3 -13.3 144 155 B F T <4 S+ 0 0 0 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.756 97.4 63.3 -75.4 -26.9 -19.2 2.4 -11.9 145 156 B F S << S- 0 0 16 -3,-0.8 5,-0.2 -4,-0.8 -137,-0.1 -0.813 94.3 -96.5-107.9 143.5 -21.6 -0.4 -11.3 146 157 B P >> - 0 0 12 0, 0.0 3,-3.3 0, 0.0 4,-1.0 -0.125 41.0-105.7 -49.3 147.1 -21.3 -3.4 -8.9 147 158 B K T 34 S+ 0 0 68 1,-0.3 -139,-0.0 2,-0.2 -2,-0.0 0.617 125.0 43.4 -52.6 -13.7 -19.9 -6.6 -10.4 148 159 B A T 34 S+ 0 0 95 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.151 110.6 52.6-122.5 16.4 -23.5 -7.8 -10.1 149 160 B K T <> S+ 0 0 77 -3,-3.3 4,-1.6 2,-0.1 3,-0.2 0.303 79.3 94.2-120.5 4.6 -25.3 -4.7 -11.3 150 161 B Q H X S+ 0 0 66 -4,-1.0 4,-0.9 1,-0.2 5,-0.2 0.534 75.8 68.1 -72.7 -4.5 -23.3 -4.4 -14.6 151 162 B G H > S+ 0 0 64 3,-0.1 4,-1.5 2,-0.1 -1,-0.2 0.957 105.4 35.1 -78.1 -53.5 -26.1 -6.4 -16.4 152 163 B S H > S+ 0 0 86 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 119.8 49.1 -64.6 -46.1 -28.8 -3.7 -16.1 153 164 B A H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.908 110.8 47.2 -68.2 -46.0 -26.5 -0.7 -16.5 154 165 B L H X>S+ 0 0 46 -4,-0.9 4,-2.5 1,-0.2 5,-0.8 0.931 110.9 56.0 -59.8 -41.6 -24.6 -1.9 -19.6 155 166 B G H X5S+ 0 0 40 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.879 112.3 40.6 -54.7 -44.2 -28.1 -2.8 -21.0 156 167 B I H X5S+ 0 0 62 -4,-2.1 4,-0.9 3,-0.2 5,-0.2 0.897 116.8 50.1 -71.8 -41.2 -29.3 0.8 -20.5 157 168 B N H >X5S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 3,-0.6 0.983 124.0 25.8 -63.7 -63.4 -26.0 2.4 -21.7 158 169 B G H 3X5S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.940 118.6 62.1 -64.3 -46.1 -25.5 0.5 -24.9 159 170 B G H 3<< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.897 101.7 56.2 -59.1 -38.9 -26.7 4.5 -27.4 162 173 B N T >X S+ 0 0 1 -4,-2.6 3,-2.4 1,-0.2 4,-0.5 0.922 92.3 69.4 -51.4 -49.4 -28.1 2.3 -30.2 163 174 B L H 3> S+ 0 0 41 -4,-0.3 4,-2.1 1,-0.3 -1,-0.2 0.706 80.4 79.5 -50.0 -24.4 -31.3 4.4 -30.2 164 175 B G H S+ 0 0 1 -3,-2.4 4,-2.7 -4,-0.2 -1,-0.2 0.991 110.4 44.6 -60.6 -62.7 -29.4 5.7 -35.2 166 177 B S H < S+ 0 0 7 -4,-0.5 -2,-0.2 114,-0.3 -1,-0.2 0.811 116.4 48.6 -50.0 -35.9 -33.2 5.7 -35.0 167 178 B V H >X S+ 0 0 43 -4,-2.1 4,-2.4 1,-0.1 3,-1.6 0.968 111.1 46.6 -71.2 -54.2 -33.2 9.2 -33.6 168 179 B M H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 -2,-0.2 0.904 106.0 59.7 -55.8 -45.5 -30.8 10.8 -36.2 169 180 B Q H 3< S+ 0 0 5 -4,-2.7 -1,-0.3 -5,-0.2 107,-0.2 0.209 115.9 36.6 -68.8 20.2 -32.7 9.1 -39.1 170 181 B L H <4 S+ 0 0 62 -3,-1.6 4,-0.3 -5,-0.1 -2,-0.2 0.491 115.3 48.4-139.3 -36.5 -35.7 11.0 -37.9 171 182 B V H >X S+ 0 0 51 -4,-2.4 4,-1.5 2,-0.1 3,-0.9 0.911 110.0 56.2 -71.4 -43.0 -34.4 14.4 -36.7 172 183 B A H 3X S+ 0 0 4 -4,-2.5 4,-0.9 -5,-0.3 3,-0.2 0.880 107.7 41.7 -65.1 -42.9 -32.4 14.8 -39.9 173 184 B P H 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.561 116.9 52.0 -82.0 -0.4 -35.1 14.5 -42.5 174 185 B L H <4 S+ 0 0 126 -3,-0.9 -2,-0.2 -4,-0.3 -3,-0.1 0.688 107.5 48.8-100.2 -24.7 -37.5 16.6 -40.4 175 186 B V H >< S+ 0 0 24 -4,-1.5 3,-1.3 -3,-0.2 5,-0.4 0.654 95.2 70.0 -93.0 -19.9 -35.2 19.6 -39.8 176 187 B I T 3< S+ 0 0 0 -4,-0.9 22,-2.1 1,-0.3 -1,-0.2 0.816 90.9 61.1 -71.0 -29.4 -34.0 20.2 -43.4 177 188 B F T 3 S+ 0 0 88 20,-0.2 -1,-0.3 -4,-0.2 19,-0.2 0.107 97.3 75.6 -86.2 22.3 -37.4 21.5 -44.4 178 189 B V S < S- 0 0 73 -3,-1.3 2,-2.1 20,-0.2 3,-0.3 -0.988 79.5-138.5-134.1 122.9 -36.9 24.3 -41.7 179 190 B P > + 0 0 90 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.360 45.1 150.5 -81.4 61.0 -34.5 27.3 -42.4 180 191 B V T 3 S+ 0 0 55 -2,-2.1 3,-0.2 -5,-0.4 -4,-0.1 0.796 75.9 31.1 -62.5 -37.1 -33.0 27.2 -38.8 181 192 B F T > >S+ 0 0 28 -3,-0.3 5,-1.7 1,-0.1 3,-0.9 -0.178 78.1 117.1-118.0 37.7 -29.7 28.6 -39.9 182 193 B A G X 5S+ 0 0 55 -3,-1.2 3,-1.1 1,-0.2 -1,-0.1 0.718 70.8 68.0 -74.3 -19.8 -30.7 30.8 -42.8 183 194 B F G 3 5S+ 0 0 166 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.676 99.1 50.6 -71.0 -15.4 -29.4 33.7 -40.7 184 195 B L G < 5S- 0 0 108 -3,-0.9 -1,-0.3 2,-0.0 -2,-0.2 0.391 127.5-100.7 -99.0 -2.9 -25.9 32.2 -41.3 185 196 B G T < 5 + 0 0 49 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.617 56.9 173.6 93.7 15.6 -26.5 32.0 -45.0 186 197 B V < - 0 0 11 -5,-1.7 -1,-0.2 1,-0.1 -5,-0.1 -0.417 34.8-118.4 -62.9 113.6 -27.3 28.2 -45.3 187 198 B N - 0 0 89 -2,-0.4 12,-0.4 11,-0.0 2,-0.4 -0.215 29.3-167.4 -49.6 133.0 -28.4 27.4 -48.8 188 199 B G - 0 0 36 10,-0.2 10,-0.3 11,-0.1 -11,-0.1 -0.980 5.6-154.1-123.4 140.9 -31.9 26.1 -49.2 189 200 B V E -A 197 0A 36 8,-1.1 8,-1.7 -2,-0.4 -2,-0.0 -0.939 15.5-128.3-126.0 114.7 -33.1 24.5 -52.4 190 201 B P E +A 196 0A 103 0, 0.0 6,-0.3 0, 0.0 2,-0.3 -0.081 30.6 174.5 -61.4 154.1 -36.8 24.5 -53.4 191 202 B Q E > -A 195 0A 51 4,-2.0 4,-0.6 1,-0.0 3,-0.5 -0.952 42.3 -42.1-152.3 166.8 -38.7 21.4 -54.4 192 203 B A T >4 S+ 0 0 96 -2,-0.3 3,-0.7 1,-0.2 -1,-0.0 0.052 120.2 10.6 -37.5 127.1 -42.2 20.1 -55.4 193 204 B D T 34 S- 0 0 173 1,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.871 133.5 -54.6 65.2 44.8 -45.0 21.5 -53.2 194 205 B G T 34 S+ 0 0 68 -3,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.339 86.7 152.6 84.1 -8.3 -43.1 24.2 -51.3 195 206 B S E << -A 191 0A 42 -3,-0.7 -4,-2.0 -4,-0.6 2,-0.5 -0.436 22.2-172.5 -61.0 108.9 -40.3 22.0 -50.0 196 207 B V E -A 190 0A 74 -2,-0.5 2,-0.7 -6,-0.3 -1,-0.0 -0.944 12.4-150.3-100.8 125.2 -37.3 24.2 -49.5 197 208 B M E +A 189 0A 0 -8,-1.7 -8,-1.1 -2,-0.5 2,-0.7 -0.809 23.2 176.3-114.0 100.4 -34.3 22.0 -48.6 198 209 B S - 0 0 3 -22,-2.1 4,-0.3 -2,-0.7 -20,-0.2 -0.868 10.5-178.2 -87.5 113.0 -31.5 23.3 -46.4 199 210 B L + 0 0 3 -2,-0.7 -1,-0.1 -12,-0.4 -89,-0.1 0.169 69.6 72.9-108.7 14.2 -29.4 20.2 -46.1 200 211 B A S >> S+ 0 0 1 -13,-0.3 4,-2.6 -24,-0.1 3,-2.1 0.717 84.8 73.9 -89.0 -27.0 -26.6 21.5 -43.9 201 212 B N H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.869 85.9 59.6 -45.8 -47.4 -29.3 21.4 -41.1 202 213 B A H 34 S+ 0 0 1 -4,-0.3 -1,-0.3 1,-0.2 -30,-0.1 0.468 118.9 31.6 -65.9 -0.4 -29.1 17.6 -40.9 203 214 B A H <4 S+ 0 0 0 -3,-2.1 3,-0.3 -31,-0.1 -2,-0.2 0.592 117.2 50.1-129.1 -34.1 -25.4 18.0 -40.0 204 215 B W H >< S+ 0 0 44 -4,-2.6 3,-0.6 1,-0.2 -3,-0.2 0.508 92.9 78.4 -87.1 -6.3 -25.1 21.4 -38.2 205 216 B I T 3X S+ 0 0 32 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.905 90.5 54.1 -64.9 -37.3 -28.0 20.4 -35.8 206 217 B W H 3> S+ 0 0 6 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.556 87.4 79.6 -81.3 -6.2 -25.6 18.2 -33.7 207 218 B V H <> S+ 0 0 34 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.929 98.7 40.5 -69.9 -42.6 -23.0 20.9 -33.1 208 219 B P H >> S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.983 118.0 46.8 -61.7 -53.9 -25.1 22.5 -30.3 209 220 B L H 3X S+ 0 0 86 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< S+ 0 0 14 -4,-1.9 5,-0.3 1,-0.2 -1,-0.2 0.944 91.9 61.6 -67.1 -49.1 -7.9 -13.8 -29.2 234 250 B Q H < S+ 0 0 78 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.705 71.0 109.5 -63.2 -25.4 -5.9 -16.7 -30.7 235 251 B R S >< S- 0 0 57 -4,-0.6 3,-1.8 -3,-0.3 2,-0.3 -0.258 76.9-125.5 -50.6 127.0 -8.2 -19.5 -29.6 236 252 B L T 3 S+ 0 0 90 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.213 102.7 67.4 -71.0 19.1 -9.9 -20.8 -32.7 237 253 B H T 3 S+ 0 0 83 -2,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.167 79.8 74.0-121.2 14.0 -13.4 -20.3 -31.2 238 254 B L S <> S+ 0 0 3 -3,-1.8 4,-0.7 -5,-0.3 -2,-0.1 0.463 99.6 51.3 -91.6 -6.9 -13.3 -16.5 -31.1 239 255 B W H > S+ 0 0 124 -4,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.849 103.8 47.7-101.5 -44.0 -13.8 -16.7 -34.9 240 256 B L H 4 S+ 0 0 36 -4,-0.4 4,-0.4 1,-0.2 -2,-0.1 0.706 119.7 46.3 -71.8 -16.4 -16.8 -19.0 -35.5 241 257 B L H >> S+ 0 0 8 2,-0.2 4,-1.1 1,-0.1 3,-0.7 0.841 105.4 55.6 -88.5 -40.1 -18.4 -16.8 -32.8 242 258 B S H 3< S+ 0 0 6 -4,-0.7 4,-0.2 1,-0.2 -2,-0.2 0.725 104.0 60.4 -63.9 -19.0 -17.3 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-1,-0.2 0.712 102.1 71.5 -65.4 -17.9 7.5 0.3 11.2 512 93 A M T 3< S+ 0 0 72 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.157 80.9 72.0 -91.9 19.1 7.7 -3.5 11.8 513 94 A V S <> S+ 0 0 11 -3,-1.0 4,-2.8 2,-0.1 3,-0.5 0.858 95.5 44.3 -97.2 -47.4 10.0 -3.3 14.9 514 95 A P T 4 S+ 0 0 92 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.717 112.7 58.0 -64.2 -18.6 7.7 -1.9 17.7 515 96 A I T 4 S+ 0 0 114 -4,-0.5 -2,-0.1 1,-0.1 -3,-0.1 0.783 126.8 11.6 -82.2 -30.0 5.0 -4.3 16.4 516 97 A F T 4 S- 0 0 84 -3,-0.5 4,-0.3 -4,-0.3 5,-0.3 0.473 104.9-124.4-125.9 -10.8 7.0 -7.5 16.9 517 98 A G X - 0 0 13 -4,-2.8 4,-1.8 3,-0.1 5,-0.2 0.184 32.6 -73.5 77.8 159.0 10.0 -6.4 18.9 518 99 A G H > S+ 0 0 2 134,-0.2 4,-2.1 2,-0.2 135,-0.2 0.921 122.2 43.9 -53.0 -59.5 13.7 -6.7 18.2 519 100 A R H >> S+ 0 0 51 133,-0.5 4,-2.6 2,-0.2 3,-1.0 0.972 116.2 41.6 -54.8 -72.9 14.3 -10.4 18.8 520 101 A R H 3> S+ 0 0 131 -4,-0.3 4,-2.6 1,-0.3 5,-0.2 0.870 118.2 47.9 -43.0 -50.3 11.3 -12.0 17.2 521 102 A W H 3X S+ 0 0 22 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.3 0.827 110.3 52.1 -66.7 -31.1 11.5 -9.7 14.2 522 103 A T H X S+ 0 0 14 -4,-2.6 4,-2.0 124,-0.3 3,-1.3 0.977 116.6 45.2 -58.1 -53.3 14.9 -14.1 13.8 524 105 A F H 3X S+ 0 0 97 -4,-2.6 4,-2.1 1,-0.3 -2,-0.2 0.913 115.5 45.8 -54.8 -47.7 12.0 -13.9 11.3 525 106 A S H 3< S+ 0 0 2 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.437 117.7 44.0 -83.5 1.9 13.7 -11.4 9.0 526 107 A T H << S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.561 115.6 46.1-112.7 -18.2 17.0 -13.3 9.1 527 108 A A H >X S+ 0 0 34 -4,-2.0 3,-1.7 -5,-0.2 4,-0.5 0.749 103.2 62.4 -90.6 -30.0 15.5 -16.8 8.6 528 109 A I T 3< S+ 0 0 60 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.1 0.606 92.1 69.5 -72.1 -9.6 13.2 -15.7 5.8 529 110 A L T 3> S+ 0 0 0 1,-0.2 4,-0.8 -5,-0.2 -1,-0.3 0.453 85.2 70.0 -83.2 -2.6 16.4 -14.9 3.9 530 111 A I H <> S+ 0 0 39 -3,-1.7 4,-2.4 1,-0.2 5,-0.4 0.906 83.5 68.8 -78.2 -40.4 17.1 -18.6 3.7 531 112 A I H X S+ 0 0 86 -4,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.726 103.9 40.7 -59.8 -24.5 14.3 -19.3 1.2 532 113 A P H > S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.848 112.9 53.9 -90.9 -28.6 16.0 -17.5 -1.6 533 114 A C H X S+ 0 0 0 -4,-0.8 4,-2.1 -3,-0.3 -2,-0.2 0.907 112.4 44.3 -58.4 -42.6 19.5 -18.8 -0.9 534 115 A V H X S+ 0 0 62 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.907 117.7 46.0 -72.3 -36.3 18.3 -22.4 -0.9 535 116 A W H X S+ 0 0 85 -4,-0.8 4,-2.5 -5,-0.4 3,-0.4 0.949 111.8 47.9 -72.2 -53.5 16.3 -21.7 -4.1 536 117 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.3 5,-0.2 0.902 108.2 58.9 -52.0 -43.5 19.0 -19.8 -6.0 537 118 A G H < S+ 0 0 0 -4,-2.1 4,-0.3 96,-0.4 -1,-0.3 0.894 108.5 43.6 -52.1 -44.0 21.2 -22.7 -5.0 538 119 A I H >< S+ 0 0 102 -4,-1.4 3,-1.1 -3,-0.4 -2,-0.2 0.902 111.3 56.6 -68.0 -40.0 18.8 -25.0 -6.8 539 120 A A H >< S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.2 6,-0.3 0.964 100.1 53.4 -55.4 -61.4 18.5 -22.7 -9.8 540 121 A V T 3< S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 89,-0.2 0.527 96.4 70.1 -61.8 -2.8 22.1 -22.3 -10.9 541 122 A Q T < S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 0.286 94.2 64.1 -89.9 9.5 22.5 -26.2 -11.0 542 123 A N X - 0 0 68 -3,-1.9 3,-1.8 1,-0.1 -1,-0.2 -0.820 59.2-169.8-141.9 94.7 20.2 -26.2 -14.1 543 124 A P T 3 S+ 0 0 60 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.787 90.4 64.6 -52.3 -28.9 21.4 -24.5 -17.3 544 125 A N T 3 S+ 0 0 151 -3,-0.1 -2,-0.0 -60,-0.1 -3,-0.0 0.787 73.5 121.8 -67.6 -26.7 17.9 -24.9 -18.6 545 126 A T < - 0 0 17 -3,-1.8 5,-0.1 -6,-0.3 -3,-0.0 -0.091 63.6-121.5 -48.2 121.0 16.4 -22.6 -16.0 546 127 A P > - 0 0 83 0, 0.0 4,-1.0 0, 0.0 3,-0.3 -0.031 15.7-116.1 -60.7 162.2 14.4 -19.6 -17.5 547 128 A F H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.820 107.9 68.1 -71.3 -33.3 15.2 -15.9 -16.8 548 129 A G H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 97.6 53.3 -55.5 -38.5 11.9 -15.2 -15.1 549 130 A I H > S+ 0 0 54 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.970 106.1 51.1 -62.3 -51.4 12.9 -17.4 -12.2 550 131 A F H X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.787 108.0 56.4 -56.9 -28.0 16.2 -15.5 -11.7 551 132 A I H X S+ 0 0 45 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.983 108.7 43.5 -60.9 -59.4 14.0 -12.4 -11.7 552 133 A V H X S+ 0 0 69 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.848 115.5 49.5 -59.3 -33.2 11.9 -13.7 -8.8 553 134 A I H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 3,-0.5 0.927 108.9 52.0 -73.3 -41.7 14.9 -14.9 -7.0 554 135 A A H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -2,-0.2 0.892 109.9 48.8 -57.6 -40.7 16.7 -11.5 -7.5 555 136 A L H 3< S+ 0 0 58 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.697 108.7 56.0 -74.0 -17.0 13.6 -9.8 -6.0 556 137 A L H >< S+ 0 0 39 -4,-0.8 3,-0.5 -3,-0.5 -1,-0.2 0.603 97.8 59.0 -87.9 -13.3 13.8 -12.3 -3.2 557 138 A C T << S+ 0 0 0 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.363 91.3 81.9 -83.0 3.7 17.4 -11.4 -2.3 558 139 A G T 3 S+ 0 0 0 -3,-0.4 -53,-0.3 1,-0.2 -1,-0.2 0.204 72.0 65.9-102.3 13.4 16.0 -7.9 -1.8 559 140 A F S X> S+ 0 0 57 -3,-0.5 3,-2.3 2,-0.1 4,-1.7 0.690 86.3 75.0 -92.8 -28.6 14.6 -8.2 1.7 560 141 A A T 34 S+ 0 0 1 1,-0.3 -91,-0.4 -4,-0.2 -2,-0.2 0.476 95.6 51.5 -59.9 -3.3 18.1 -8.6 2.8 561 142 A G T >4 S+ 0 0 0 -63,-0.2 3,-0.5 -92,-0.1 4,-0.4 0.497 100.2 57.6-110.3 -14.0 18.3 -4.9 2.2 562 143 A A T <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 3,-0.3 0.678 87.2 82.8 -83.5 -21.6 15.3 -3.9 4.3 563 144 A N H 3X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.644 83.6 60.3 -52.1 -14.9 17.1 -5.6 7.1 564 145 A F H <> S+ 0 0 2 -3,-0.5 4,-1.8 2,-0.2 5,-0.2 0.935 103.2 45.7 -83.0 -50.9 19.1 -2.4 7.6 565 146 A A H > S+ 0 0 9 -4,-0.4 4,-0.9 -3,-0.3 -2,-0.2 0.847 119.1 47.5 -56.6 -32.9 16.1 -0.2 8.4 566 147 A S H X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.961 113.1 44.2 -69.0 -52.5 15.1 -3.0 10.7 567 148 A S H X S+ 0 0 5 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.618 109.8 56.3 -74.8 -14.3 18.4 -3.6 12.4 568 149 A M H >X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 3,-0.7 0.950 103.9 46.4 -83.2 -53.3 19.2 0.1 13.1 569 150 A G H 3X S+ 0 0 33 -4,-0.9 4,-1.6 1,-0.3 -2,-0.2 0.848 110.6 58.4 -57.3 -34.2 16.1 1.3 15.0 570 151 A N H 3< S+ 0 0 9 -4,-1.1 4,-0.5 1,-0.2 -1,-0.3 0.839 104.7 48.1 -66.2 -33.5 16.5 -1.8 17.1 571 152 A I H X< S+ 0 0 1 -3,-0.7 3,-1.6 -4,-0.6 4,-0.2 0.930 105.0 61.6 -72.1 -38.5 20.0 -0.8 18.1 572 153 A S H >< S+ 0 0 29 -4,-2.3 3,-1.9 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0.740 119.1 53.9 -57.0 -25.4 29.1 4.9 18.4 583 164 A A H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.911 109.6 41.0 -85.3 -47.6 26.4 2.2 18.4 584 165 A L H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.845 117.0 55.3 -63.1 -32.9 24.6 3.0 15.2 585 166 A G H X S+ 0 0 42 -4,-2.2 4,-2.1 -5,-0.3 5,-0.3 0.951 109.8 43.4 -61.3 -51.8 28.2 3.5 13.9 586 167 A I H X S+ 0 0 77 -4,-2.3 4,-1.7 2,-0.2 5,-0.3 0.949 116.4 47.4 -56.4 -53.5 29.3 0.0 15.0 587 168 A N H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.924 120.1 37.0 -59.4 -49.2 26.1 -1.6 13.6 588 169 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 3,-0.4 0.995 117.4 47.4 -64.3 -64.7 26.2 0.1 10.3 589 170 A G H < S+ 0 0 12 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.693 118.6 43.0 -55.0 -23.7 29.9 0.2 9.6 590 171 A L H >< S+ 0 0 76 -4,-1.7 3,-1.1 -5,-0.3 -1,-0.3 0.770 111.3 54.0 -89.9 -32.2 30.2 -3.4 10.5 591 172 A G H >< S+ 0 0 0 -4,-1.6 3,-1.4 -3,-0.4 4,-0.2 0.785 98.0 63.7 -73.0 -26.9 27.0 -4.5 8.6 592 173 A N T 3X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.3 3,-0.3 0.454 86.4 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113.4 41.1 -50.7 -59.7 25.4 0.8 -6.8 674 271 A F H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.810 111.0 60.9 -58.5 -31.7 29.1 0.7 -7.5 675 272 A S H X S+ 0 0 0 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.942 113.5 32.3 -59.4 -49.8 29.3 -2.6 -5.5 676 273 A A H < S+ 0 0 2 -4,-2.6 4,-0.5 -3,-0.3 -2,-0.2 0.693 122.2 49.8 -85.7 -20.0 26.9 -4.6 -7.7 677 274 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.864 95.1 71.6 -82.1 -38.5 27.8 -2.8 -10.9 678 275 A F H X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.854 93.3 50.8 -52.9 -51.5 31.6 -3.1 -10.7 679 276 A A H X S+ 0 0 1 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.948 118.0 39.1 -50.5 -57.4 32.0 -6.9 -11.3 680 277 A M H > S+ 0 0 8 -4,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.861 114.6 54.4 -61.3 -39.0 29.9 -6.8 -14.5 681 278 A L H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.9 0.921 111.0 44.4 -64.7 -45.2 31.3 -3.4 -15.7 682 279 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.764 106.2 62.4 -69.9 -23.2 34.9 -4.6 -15.5 683 280 A K H 3< S+ 0 0 60 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.662 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