==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-JAN-11 3QF4 . COMPND 2 MOLECULE: ABC TRANSPORTER, ATP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.HOHL,C.BRIAND,M.G.GRUETTER,M.A.SEEGER . 1160 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 924 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 39 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 612 52.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.9 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 3 5 7 4 2 0 3 0 0 0 3 1 0 0 0 1 1 0 2 1 0 1 0 1 0 0 8 RESIDUES PER ALPHA HELIX . 1 0 0 6 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 PARALLEL BRIDGES PER LADDER . 2 3 1 0 4 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 2 0 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 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A G 0 0 138 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.1 -53.7 39.5 39.7 2 -1 A G - 0 0 66 312,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.570 360.0 -59.0 96.9 -70.9 -53.8 35.7 40.3 3 0 A G - 0 0 35 -2,-1.1 311,-0.1 1,-0.1 312,-0.1 -0.582 24.5-132.7 155.5 141.7 -50.8 35.3 42.5 4 1 A S + 0 0 133 -2,-0.2 310,-0.1 310,-0.1 -1,-0.1 0.316 61.4 130.8 -94.7 6.2 -47.0 35.9 42.7 5 2 A K - 0 0 97 305,-0.1 2,-0.4 2,-0.0 309,-0.1 -0.343 36.9-170.7 -59.4 139.5 -46.3 32.4 44.1 6 3 A T > - 0 0 81 307,-0.1 3,-1.0 1,-0.0 4,-0.1 -0.999 28.7-142.8-140.0 139.3 -43.5 30.7 42.1 7 4 A L G > S+ 0 0 35 -2,-0.4 3,-0.5 1,-0.2 4,-0.3 0.286 86.9 87.2 -86.6 13.8 -42.2 27.1 42.2 8 5 A A G >> S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.628 77.4 70.3 -80.1 -13.0 -38.5 28.1 41.7 9 6 A R G <4 S+ 0 0 117 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.691 87.9 61.8 -77.1 -19.3 -38.4 28.5 45.4 10 7 A Y G <4 S+ 0 0 10 -3,-0.5 -1,-0.2 1,-0.2 80,-0.2 0.695 107.3 43.8 -81.7 -18.5 -38.6 24.7 45.9 11 8 A L T X4 S+ 0 0 35 -3,-0.5 3,-2.5 -4,-0.3 7,-0.2 0.813 96.5 75.8 -91.1 -36.7 -35.3 24.2 44.0 12 9 A K G >< S+ 0 0 142 -4,-1.4 3,-2.1 1,-0.3 4,-0.2 0.841 86.3 60.4 -43.5 -46.7 -33.4 27.0 45.6 13 10 A P G 3 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.780 113.2 40.1 -59.7 -20.6 -32.8 25.2 48.9 14 11 A Y G X> S+ 0 0 39 -3,-2.5 4,-1.7 1,-0.1 3,-0.5 -0.095 74.6 128.6-116.2 33.0 -30.9 22.6 46.9 15 12 A W H <> + 0 0 154 -3,-2.1 4,-1.7 1,-0.3 5,-0.3 0.900 68.0 62.3 -59.7 -44.3 -29.1 24.8 44.5 16 13 A I H 3> S+ 0 0 86 1,-0.3 4,-1.7 -4,-0.2 3,-0.5 0.900 107.5 44.4 -46.1 -47.7 -25.8 23.2 45.2 17 14 A F H <> S+ 0 0 59 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.877 110.6 56.0 -63.3 -37.5 -27.2 19.9 43.8 18 15 A A H < S+ 0 0 22 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.712 110.3 44.7 -69.7 -20.7 -28.7 21.9 40.9 19 16 A V H X S+ 0 0 59 -4,-1.7 4,-1.2 -3,-0.5 -1,-0.2 0.755 112.2 48.5 -96.0 -28.5 -25.3 23.2 40.0 20 17 A L H X S+ 0 0 47 -4,-1.7 4,-2.7 -5,-0.3 5,-0.3 0.791 100.5 67.4 -79.4 -29.5 -23.2 20.0 40.2 21 18 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.925 111.4 31.8 -56.4 -46.0 -25.8 18.1 38.2 22 19 A P H > S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.787 114.7 60.1 -84.7 -28.2 -25.0 20.0 35.0 23 20 A L H X S+ 0 0 104 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.909 106.1 48.1 -62.0 -43.9 -21.3 20.6 35.9 24 21 A F H X S+ 0 0 65 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.801 106.6 60.2 -68.3 -27.3 -20.8 16.8 36.0 25 22 A M H >X S+ 0 0 5 -4,-0.7 4,-2.8 -5,-0.3 3,-0.8 0.944 101.4 50.6 -62.2 -49.8 -22.6 16.7 32.7 26 23 A V H 3X S+ 0 0 50 -4,-2.0 4,-3.4 1,-0.3 5,-0.3 0.965 104.3 58.2 -54.0 -52.2 -20.0 18.9 30.9 27 24 A V H 3X S+ 0 0 59 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.813 111.6 43.6 -47.8 -32.8 -17.2 16.7 32.2 28 25 A E H X S+ 0 0 101 -4,-3.4 4,-2.7 1,-0.2 3,-1.1 0.996 110.4 49.3 -59.0 -62.6 -16.1 17.0 27.0 31 28 A C H 3X S+ 0 0 9 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.2 0.622 113.8 50.1 -50.4 -13.4 -14.8 13.5 27.5 32 29 A D H 3< S+ 0 0 11 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.748 111.2 44.6 -99.4 -31.4 -17.2 12.4 24.8 33 30 A L H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.2 3,-0.9 0.899 89.3 68.3 -68.5 -43.8 -12.5 14.3 23.2 35 32 A Q H 3X S+ 0 0 5 -4,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.883 96.6 49.1 -46.2 -56.5 -12.6 10.6 22.0 36 33 A P H 3> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.774 111.2 51.5 -62.5 -26.8 -13.0 11.2 18.2 37 34 A T H S+ 0 0 1 -4,-1.4 5,-2.0 -3,-0.2 4,-0.6 0.909 118.6 33.0 -62.0 -42.9 -3.5 8.1 16.6 43 40 A V H <>S+ 0 0 6 -4,-1.7 5,-1.5 3,-0.2 -2,-0.2 0.822 123.0 42.5 -88.3 -31.9 -3.7 7.9 12.8 44 41 A D H <5S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.392 132.9 19.3 -97.9 2.4 -2.4 11.3 11.7 45 42 A E H <5S+ 0 0 72 -4,-0.9 -3,-0.2 -5,-0.1 -2,-0.2 0.316 133.5 35.7-148.3 -0.7 0.5 11.5 14.2 46 43 A G T <>S+ 0 0 0 -4,-0.6 5,-1.8 -5,-0.2 -3,-0.2 0.679 124.8 29.5-120.6 -53.5 1.0 8.0 15.3 47 44 A I T > >< - 0 0 64 -5,-1.8 4,-1.2 1,-0.1 3,-0.6 -0.921 35.5-163.5-119.1 109.9 5.8 6.0 16.5 52 49 A F H 3> S+ 0 0 94 -2,-0.5 4,-3.7 1,-0.2 5,-0.3 0.843 85.6 64.4 -56.6 -39.9 4.2 3.4 18.7 53 50 A S H 3> S+ 0 0 75 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.911 100.2 53.0 -53.0 -46.7 4.5 5.5 21.9 54 51 A L H <> S+ 0 0 25 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.978 115.4 38.6 -49.8 -65.4 2.0 8.1 20.4 55 52 A V H X S+ 0 0 0 -4,-1.2 4,-1.5 1,-0.2 -2,-0.2 0.921 119.4 49.1 -52.2 -49.2 -0.6 5.5 19.7 56 53 A L H X S+ 0 0 91 -4,-3.7 4,-2.3 1,-0.2 -1,-0.2 0.923 115.2 42.2 -59.8 -47.8 0.1 3.6 22.9 57 54 A K H X S+ 0 0 151 -4,-4.0 4,-1.9 -5,-0.3 -1,-0.2 0.877 116.4 46.3 -71.0 -38.1 -0.0 6.6 25.1 58 55 A T H X S+ 0 0 7 -4,-3.0 4,-1.0 -5,-0.3 -1,-0.2 0.654 110.7 55.6 -80.4 -14.8 -3.1 8.2 23.5 59 56 A G H X S+ 0 0 6 -4,-1.5 4,-1.6 -5,-0.3 3,-0.5 0.937 111.0 42.0 -73.3 -53.2 -4.7 4.8 23.6 60 57 A I H X S+ 0 0 100 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.862 114.0 55.3 -56.1 -35.9 -4.2 4.6 27.3 61 58 A L H X S+ 0 0 74 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.791 103.2 53.7 -71.6 -29.7 -5.2 8.3 27.4 62 59 A M H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.5 -1,-0.2 0.816 106.0 53.8 -73.3 -31.4 -8.5 7.5 25.7 63 60 A L H X S+ 0 0 55 -4,-1.6 4,-2.0 2,-0.2 3,-0.4 0.942 106.7 50.7 -65.2 -47.9 -9.3 4.9 28.3 64 61 A I H X S+ 0 0 86 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.881 109.2 51.3 -58.1 -40.2 -8.8 7.4 31.1 65 62 A V H X S+ 0 0 25 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.787 106.7 55.1 -69.9 -26.6 -11.1 9.9 29.5 66 63 A A H X S+ 0 0 2 -4,-1.2 4,-1.1 -3,-0.4 -2,-0.2 0.924 111.7 43.0 -70.3 -44.4 -13.8 7.2 29.1 67 64 A L H X S+ 0 0 85 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.917 114.3 49.1 -67.4 -46.0 -13.7 6.4 32.8 68 65 A I H X S+ 0 0 86 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.911 109.7 53.0 -61.1 -39.6 -13.6 10.1 33.9 69 66 A G H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.3 0.828 107.2 54.4 -61.5 -30.5 -16.5 10.7 31.5 70 67 A A H X S+ 0 0 7 -4,-1.1 4,-1.9 2,-0.2 5,-0.2 0.947 105.2 49.0 -68.8 -50.0 -18.2 7.8 33.4 71 68 A V H X S+ 0 0 97 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.795 112.5 55.8 -58.5 -26.1 -17.7 9.5 36.8 72 69 A G H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.997 106.1 42.6 -67.5 -68.2 -19.2 12.5 35.0 73 70 A G H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.779 117.8 49.3 -52.5 -31.9 -22.5 11.2 33.7 74 71 A I H X S+ 0 0 52 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.967 106.6 51.9 -73.3 -56.0 -23.1 9.4 36.9 75 72 A G H X S+ 0 0 9 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.823 110.8 52.6 -49.1 -35.4 -22.4 12.3 39.3 76 73 A C H X S+ 0 0 1 -4,-2.0 4,-2.7 -52,-0.2 5,-0.3 0.994 111.2 42.9 -62.7 -63.5 -24.9 14.3 37.1 77 74 A T H X S+ 0 0 5 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.882 115.0 51.7 -51.3 -44.2 -27.7 11.7 37.4 78 75 A V H X S+ 0 0 37 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.964 113.8 42.0 -56.4 -54.7 -27.0 11.3 41.1 79 76 A F H X S+ 0 0 47 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.814 114.8 50.1 -66.4 -33.1 -27.1 15.0 41.9 80 77 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.847 105.1 59.0 -75.4 -33.6 -30.1 15.7 39.7 81 78 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.971 108.2 45.4 -54.3 -54.7 -31.9 12.8 41.4 82 79 A Y H X S+ 0 0 96 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.938 115.0 46.4 -53.3 -53.7 -31.5 14.5 44.7 83 80 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.948 115.2 44.7 -58.1 -52.8 -32.6 18.0 43.5 84 81 A S H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.809 114.2 51.1 -64.2 -30.6 -35.6 16.8 41.6 85 82 A Q H X S+ 0 0 5 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.974 111.4 43.1 -74.2 -54.7 -36.7 14.5 44.4 86 83 A N H X S+ 0 0 22 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.822 110.4 61.9 -58.9 -29.1 -36.6 17.0 47.2 87 84 A F H X S+ 0 0 6 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.2 0.963 107.9 40.1 -58.8 -53.3 -38.2 19.4 44.7 88 85 A G H X S+ 0 0 0 -4,-1.8 4,-3.8 2,-0.2 5,-0.3 0.887 114.8 53.6 -64.4 -40.3 -41.3 17.2 44.5 89 86 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.970 115.2 39.3 -58.1 -55.2 -41.3 16.5 48.2 90 87 A D H X S+ 0 0 29 -4,-3.0 4,-2.0 2,-0.2 5,-0.3 0.919 119.2 47.7 -61.1 -45.2 -41.2 20.1 49.0 91 88 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.3 -2,-0.2 0.924 113.5 47.8 -60.9 -45.9 -43.7 20.9 46.2 92 89 A R H X S+ 0 0 2 -4,-3.8 4,-2.3 2,-0.2 -2,-0.2 0.881 109.5 53.6 -65.5 -41.0 -46.0 18.1 47.2 93 90 A R H X S+ 0 0 62 -4,-2.7 4,-3.0 -5,-0.3 3,-0.4 0.986 113.1 40.2 -57.6 -62.5 -45.9 19.1 50.9 94 91 A D H X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.3 -1,-0.2 0.872 114.3 55.4 -54.5 -39.2 -47.0 22.7 50.3 95 92 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.3 0.886 111.7 43.2 -63.2 -38.0 -49.4 21.6 47.7 96 93 A F H X S+ 0 0 1 -4,-2.3 4,-2.2 -3,-0.4 -2,-0.2 0.926 111.0 53.9 -72.9 -46.4 -51.0 19.2 50.2 97 94 A R H X S+ 0 0 128 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.835 108.4 52.2 -55.0 -36.2 -51.0 21.8 53.0 98 95 A K H >X S+ 0 0 41 -4,-2.2 3,-1.2 -5,-0.2 4,-0.6 0.970 107.8 49.0 -63.6 -54.3 -52.8 24.2 50.7 99 96 A V H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 -2,-0.2 0.851 105.4 58.6 -57.5 -37.7 -55.6 21.7 49.8 100 97 A L H 3< S+ 0 0 9 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.803 105.6 50.3 -60.9 -30.3 -56.1 21.0 53.5 101 98 A S H << S+ 0 0 44 -3,-1.2 218,-0.3 -4,-0.8 -1,-0.3 0.540 86.7 118.0 -85.2 -8.9 -56.9 24.7 54.1 102 99 A F << - 0 0 0 -3,-1.2 2,-0.1 -4,-0.6 -3,-0.0 -0.361 57.8-141.4 -66.7 133.8 -59.4 24.8 51.3 103 100 A S > - 0 0 8 -2,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.257 34.9-101.3 -73.7 176.7 -63.0 25.7 52.1 104 101 A I H > S+ 0 0 35 281,-0.8 4,-1.3 1,-0.2 282,-0.1 0.840 125.0 60.9 -72.2 -29.5 -65.6 23.8 50.1 105 102 A S H > S+ 0 0 49 280,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.746 103.4 52.1 -68.0 -23.2 -66.0 26.9 47.9 106 103 A N H >> S+ 0 0 6 -3,-0.4 3,-1.2 2,-0.2 4,-1.1 0.924 106.6 49.6 -74.0 -49.4 -62.3 26.5 47.0 107 104 A V H 3< S+ 0 0 27 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.752 102.0 68.6 -59.8 -21.7 -62.8 22.8 46.0 108 105 A N H 3< S+ 0 0 55 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.877 98.2 48.8 -64.6 -37.1 -65.7 24.2 44.0 109 106 A R H << S+ 0 0 144 -3,-1.2 2,-0.9 -4,-0.6 -2,-0.2 1.000 116.7 37.9 -66.5 -71.5 -63.3 26.0 41.6 110 107 A F S < S- 0 0 3 -4,-1.1 -1,-0.2 2,-0.0 5,-0.1 -0.742 100.6-122.5 -77.5 110.2 -60.9 23.1 40.9 111 108 A H > - 0 0 135 -2,-0.9 4,-1.6 1,-0.1 3,-0.5 -0.168 25.2-109.7 -48.4 149.9 -63.2 20.1 40.7 112 109 A T H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.794 117.3 57.5 -59.2 -30.9 -62.1 17.5 43.2 113 110 A S H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 106.4 48.0 -66.2 -43.4 -60.8 15.1 40.5 114 111 A S H > S+ 0 0 28 -3,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.833 105.8 59.3 -65.8 -33.5 -58.4 17.8 39.1 115 112 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.929 104.7 50.1 -60.3 -45.9 -57.1 18.5 42.6 116 113 A I H X S+ 0 0 30 -4,-1.5 4,-1.0 1,-0.2 3,-0.4 0.940 111.3 47.2 -57.0 -51.8 -56.0 14.9 43.0 117 114 A T H >X>S+ 0 0 52 -4,-1.7 5,-1.5 1,-0.2 4,-1.3 0.889 109.1 54.1 -60.9 -40.7 -54.2 14.9 39.6 118 115 A R H 3<5S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.2 5,-0.2 0.825 113.5 43.0 -63.8 -29.9 -52.4 18.2 40.4 119 116 A L H 3<5S+ 0 0 0 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.538 128.4 27.1 -94.0 -7.6 -51.1 16.7 43.6 120 117 A T H X5S+ 0 0 92 -4,-1.3 4,-2.1 -5,-0.2 3,-1.9 0.989 120.8 51.0 -73.0 -64.5 -49.3 13.5 38.5 122 119 A D H 3> S+ 0 0 0 -6,-0.4 4,-1.5 -5,-0.2 -1,-0.3 0.871 108.2 44.8 -64.5 -36.7 -46.0 16.8 40.9 124 121 A T H <>S+ 0 0 36 -4,-3.8 5,-2.1 1,-0.2 3,-1.2 0.893 105.8 57.4 -65.6 -44.2 -34.5 16.7 32.8 133 130 A L H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.4 47.6 -56.9 -31.6 -33.3 20.3 33.1 134 131 A L T 3<5S+ 0 0 13 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.503 123.8 22.9 -95.0 -4.7 -30.2 19.0 35.0 135 132 A R T X>5S+ 0 0 58 -3,-1.2 4,-3.1 -4,-0.5 3,-1.1 0.526 129.7 14.2-120.3 -87.4 -29.2 16.1 32.7 136 133 A I H 3>5S+ 0 0 43 1,-0.3 4,-1.5 2,-0.3 -3,-0.1 0.804 117.6 65.7 -68.8 -29.6 -30.1 15.9 29.0 137 134 A V H 34 S+ 0 0 30 -3,-1.1 4,-1.6 -6,-0.4 -2,-0.3 0.827 120.3 53.4 -91.8 -44.3 -27.5 20.2 29.4 139 136 A R H >X S+ 0 0 41 -4,-3.1 4,-2.3 2,-0.2 3,-0.6 0.973 107.3 43.0 -52.8 -75.1 -26.3 17.2 27.5 140 137 A A H 3X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.3 5,-0.2 0.866 115.4 46.8 -46.2 -54.3 -27.8 17.4 24.1 141 138 A P H 3> S+ 0 0 40 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.873 113.5 49.7 -61.1 -36.4 -27.3 21.1 23.5 142 139 A L H X - 0 0 28 -4,-2.6 4,-1.4 -5,-0.2 3,-0.6 -0.519 52.9-159.8-171.9 99.8 -11.8 22.3 9.2 156 153 A V T 34 S+ 0 0 102 -4,-0.5 4,-0.4 1,-0.2 3,-0.4 0.870 92.2 56.2 -44.9 -51.6 -13.9 25.4 8.7 157 154 A K T >4 S+ 0 0 135 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.884 106.0 49.2 -54.3 -45.0 -14.6 24.8 5.0 158 155 A L T X4 S+ 0 0 5 -3,-0.6 3,-2.8 1,-0.3 4,-0.3 0.845 95.3 73.4 -65.4 -33.7 -16.1 21.3 5.5 159 156 A S T >X S+ 0 0 6 -4,-1.4 3,-1.7 -3,-0.4 4,-0.9 0.661 76.5 79.7 -56.2 -17.6 -18.4 22.6 8.3 160 157 A S H <> S+ 0 0 70 -3,-1.3 4,-0.6 -4,-0.4 -1,-0.3 0.747 79.0 69.7 -62.4 -21.8 -20.4 24.3 5.5 161 158 A V H <> S+ 0 0 12 -3,-2.8 4,-1.2 1,-0.2 3,-0.3 0.774 91.7 59.2 -67.2 -25.1 -21.9 20.9 5.0 162 159 A L H X> S+ 0 0 5 -3,-1.7 4,-2.8 -4,-0.3 3,-0.5 0.925 95.5 61.0 -65.1 -46.3 -23.6 21.4 8.4 163 160 A I H 3< S+ 0 0 118 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.741 110.4 42.8 -53.5 -24.3 -25.4 24.5 7.0 164 161 A F H 3< S+ 0 0 167 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.745 116.6 45.2 -92.2 -27.4 -27.0 22.2 4.5 165 162 A L H S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.892 107.8 47.9 -54.4 -46.8 -32.1 23.1 8.2 168 165 A P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.883 113.5 48.8 -63.6 -37.5 -33.9 20.1 6.5 169 166 A I H X S+ 0 0 9 -4,-1.3 4,-2.3 2,-0.2 5,-0.1 0.959 113.6 45.4 -62.8 -51.9 -33.7 18.2 9.8 170 167 A V H X S+ 0 0 65 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.911 113.0 51.9 -55.5 -43.6 -35.1 21.1 11.7 171 168 A L H X S+ 0 0 117 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.877 106.8 53.1 -63.3 -38.6 -37.7 21.6 9.0 172 169 A L H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.930 108.4 50.4 -60.4 -45.8 -38.7 17.9 9.3 173 170 A F H X S+ 0 0 61 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.939 111.6 47.0 -59.4 -49.7 -39.2 18.3 13.0 174 171 A V H X S+ 0 0 65 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.938 112.2 50.3 -56.4 -50.6 -41.5 21.3 12.6 175 172 A W H X S+ 0 0 99 -4,-2.5 4,-1.0 1,-0.2 5,-0.3 0.916 112.0 47.0 -56.4 -47.7 -43.5 19.7 9.9 176 173 A L H >X>S+ 0 0 41 -4,-2.6 4,-3.6 1,-0.2 3,-0.8 0.937 111.3 50.5 -60.7 -49.6 -44.1 16.5 11.9 177 174 A T H 3X5S+ 0 0 31 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.811 114.5 45.0 -59.5 -30.7 -45.1 18.4 15.0 178 175 A K H 3<5S+ 0 0 152 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.578 123.3 33.3 -94.5 -9.2 -47.6 20.5 13.1 179 176 A K H <<5S+ 0 0 112 -4,-1.0 4,-0.5 -3,-0.8 -2,-0.2 0.665 122.9 44.3-110.5 -31.5 -49.1 17.7 11.1 180 177 A G H X5S+ 0 0 5 -4,-3.6 4,-2.0 -5,-0.3 3,-0.3 0.807 98.4 70.2 -85.5 -33.6 -48.9 14.9 13.6 181 178 A N H X S+ 0 0 69 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.760 114.2 54.1 -70.6 -23.5 -53.7 17.0 15.5 183 180 A L H > S+ 0 0 56 -4,-0.5 4,-0.8 -3,-0.3 52,-0.3 0.707 108.4 48.2 -83.2 -22.3 -53.5 13.4 14.2 184 181 A F H X S+ 0 0 94 -4,-2.0 4,-2.0 -3,-0.4 -3,-0.2 0.873 111.6 48.9 -79.7 -42.9 -52.4 12.1 17.6 185 182 A R H X S+ 0 0 180 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.860 107.6 57.0 -59.9 -35.5 -55.2 14.1 19.4 186 183 A K H X S+ 0 0 78 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.859 105.2 50.8 -64.5 -35.7 -57.5 12.6 16.8 187 184 A I H X S+ 0 0 16 -4,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.904 105.0 56.5 -65.1 -42.0 -56.3 9.2 18.0 188 185 A Q H X S+ 0 0 107 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.804 106.4 50.8 -62.2 -30.3 -57.1 10.2 21.5 189 186 A E H X S+ 0 0 103 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.886 111.6 47.1 -71.4 -39.9 -60.7 11.0 20.5 190 187 A S H X S+ 0 0 5 -4,-1.5 4,-1.3 2,-0.2 38,-0.2 0.843 111.5 50.3 -74.1 -34.4 -61.0 7.6 18.8 191 188 A T H X S+ 0 0 38 -4,-2.5 4,-1.4 2,-0.2 3,-0.4 0.960 111.3 47.0 -66.3 -53.2 -59.6 5.6 21.7 192 189 A D H X S+ 0 0 80 -4,-1.6 4,-2.2 1,-0.3 3,-0.2 0.879 108.5 56.7 -56.3 -40.2 -61.8 7.2 24.3 193 190 A E H X S+ 0 0 70 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.887 101.3 56.5 -60.4 -38.2 -64.8 6.7 22.1 194 191 A V H X S+ 0 0 5 -4,-1.3 4,-1.4 -3,-0.4 -1,-0.2 0.885 108.3 49.0 -60.3 -36.3 -64.0 3.0 22.1 195 192 A N H X S+ 0 0 34 -4,-1.4 4,-3.8 -3,-0.2 5,-0.3 0.903 102.9 59.1 -69.0 -44.3 -64.2 3.1 25.9 196 193 A R H X S+ 0 0 97 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.827 110.3 44.4 -53.2 -35.1 -67.6 5.0 25.9 197 194 A V H X S+ 0 0 9 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.823 115.7 46.3 -80.6 -32.7 -69.1 2.1 24.0 198 195 A V H X S+ 0 0 20 -4,-1.4 4,-0.9 -5,-0.2 -2,-0.2 0.845 115.6 46.2 -77.8 -34.3 -67.4 -0.6 26.2 199 196 A R H >X S+ 0 0 130 -4,-3.8 4,-3.2 2,-0.2 3,-0.6 0.947 112.8 47.9 -70.9 -49.2 -68.4 1.2 29.4 200 197 A E H 3X S+ 0 0 19 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.851 109.7 54.4 -61.7 -34.8 -72.0 1.8 28.4 201 198 A N H 3< S+ 0 0 5 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.780 113.4 41.6 -70.7 -26.6 -72.3 -1.8 27.3 202 199 A L H X< S+ 0 0 2 -4,-0.9 3,-0.8 -3,-0.6 4,-0.2 0.872 117.4 48.7 -82.0 -42.6 -71.1 -3.0 30.7 203 200 A L H 3< S+ 0 0 85 -4,-3.2 3,-0.4 1,-0.2 -2,-0.2 0.992 125.0 24.9 -57.5 -68.2 -73.2 -0.4 32.6 204 201 A G T 3X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 -0.119 80.4 128.4 -95.7 37.0 -76.5 -0.9 30.8 205 202 A V H <> S+ 0 0 10 -3,-0.8 4,-3.4 1,-0.2 5,-0.3 0.890 75.1 50.9 -59.0 -41.6 -76.0 -4.5 29.7 206 203 A R H > S+ 0 0 64 -3,-0.4 4,-2.6 -4,-0.2 -1,-0.2 0.885 111.7 49.3 -65.1 -37.8 -79.3 -5.6 31.3 207 204 A V H > S+ 0 0 11 2,-0.2 4,-1.9 3,-0.2 -2,-0.2 0.994 114.1 44.2 -57.4 -64.0 -81.0 -2.7 29.4 208 205 A V H <>S+ 0 0 2 -4,-3.0 5,-1.5 1,-0.2 3,-0.4 0.918 118.8 43.0 -46.0 -56.3 -79.3 -3.7 26.1 209 206 A R H ><5S+ 0 0 4 -4,-3.4 3,-2.7 1,-0.2 -1,-0.2 0.948 111.5 52.9 -59.2 -52.9 -80.1 -7.4 26.6 210 207 A A H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.9 47.9 -54.4 -29.7 -83.6 -7.0 27.8 211 208 A F T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.314 107.9-127.2 -95.7 7.3 -84.3 -4.8 24.8 212 209 A R T < 5 + 0 0 70 -3,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.943 68.6 131.1 46.0 60.9 -82.8 -7.4 22.4 213 210 A R >< + 0 0 39 -5,-1.5 4,-1.5 2,-0.1 3,-0.4 0.193 22.1 112.2-128.4 12.3 -80.5 -4.7 20.9 214 211 A E H > S+ 0 0 33 -6,-0.3 4,-1.9 1,-0.3 3,-0.4 0.901 77.3 56.8 -54.5 -44.8 -77.1 -6.4 21.0 215 212 A E H > S+ 0 0 139 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.894 107.1 49.1 -54.2 -42.0 -77.0 -6.5 17.2 216 213 A Y H > S+ 0 0 61 -3,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.810 109.1 53.6 -66.4 -30.7 -77.5 -2.8 17.2 217 214 A E H X S+ 0 0 6 -4,-1.5 4,-1.1 -3,-0.4 -2,-0.2 0.757 105.9 51.3 -80.4 -27.3 -74.7 -2.4 19.7 218 215 A N H X S+ 0 0 15 -4,-1.9 4,-3.1 2,-0.2 3,-0.5 0.941 112.2 46.4 -67.4 -51.4 -72.2 -4.4 17.7 219 216 A E H X S+ 0 0 88 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.839 113.2 51.7 -57.4 -33.1 -72.9 -2.2 14.7 220 217 A N H X S+ 0 0 51 -4,-1.3 4,-0.6 -5,-0.2 -1,-0.3 0.779 112.1 45.5 -74.6 -27.8 -72.6 0.7 17.0 221 218 A F H >X S+ 0 0 7 -4,-1.1 4,-2.4 -3,-0.5 3,-0.7 0.879 103.3 61.1 -81.6 -42.9 -69.2 -0.6 18.2 222 219 A R H 3X S+ 0 0 75 -4,-3.1 4,-2.7 1,-0.3 5,-0.3 0.870 98.8 60.1 -51.5 -38.4 -67.8 -1.4 14.8 223 220 A K H 3X S+ 0 0 120 -4,-1.0 4,-1.5 1,-0.2 -1,-0.3 0.894 110.8 38.8 -58.2 -42.5 -68.1 2.3 14.0 224 221 A A H X S+ 0 0 1 -4,-1.4 4,-1.3 -52,-0.3 3,-0.6 0.970 121.2 42.3 -57.6 -56.4 -51.0 9.4 12.6 236 233 A F H 3X S+ 0 0 84 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.662 103.8 65.7 -72.4 -16.2 -48.4 6.6 12.9 237 234 A S H 3< S+ 0 0 28 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.893 101.3 51.2 -69.7 -38.8 -47.8 6.4 9.1 238 235 A L H XX S+ 0 0 34 -4,-1.3 4,-2.2 -3,-0.6 3,-1.3 0.941 111.2 48.0 -57.6 -49.0 -46.3 9.8 9.4 239 236 A I H 3X S+ 0 0 62 -4,-1.3 4,-1.7 1,-0.3 -2,-0.2 0.906 109.6 51.6 -58.1 -43.6 -44.1 8.6 12.2 240 237 A V H 3< S+ 0 0 29 -4,-2.3 -1,-0.3 1,-0.2 423,-0.2 0.448 113.4 46.2 -79.9 1.8 -43.1 5.5 10.3 241 238 A F H <> S+ 0 0 86 -3,-1.3 4,-1.6 -4,-0.3 -1,-0.2 0.676 108.8 54.9-105.6 -33.1 -42.1 7.7 7.4 242 239 A A H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.967 101.2 54.5 -65.4 -57.6 -40.2 10.3 9.4 243 240 A L H X S+ 0 0 101 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.900 111.3 45.0 -46.1 -53.8 -37.7 8.1 11.2 244 241 A P H > S+ 0 0 7 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.912 112.9 50.8 -59.9 -43.4 -36.4 6.5 8.0 245 242 A L H X S+ 0 0 57 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.812 109.1 52.8 -63.8 -31.1 -36.2 9.9 6.2 246 243 A F H X S+ 0 0 12 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.948 108.0 49.0 -66.6 -49.3 -34.2 11.2 9.2 247 244 A I H X S+ 0 0 44 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.822 108.9 55.9 -59.1 -32.2 -31.7 8.4 9.0 248 245 A F H X S+ 0 0 58 -4,-1.7 4,-3.0 -5,-0.2 5,-0.3 0.926 105.2 49.8 -67.2 -46.0 -31.3 9.1 5.3 249 246 A I H X S+ 0 0 23 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.921 111.8 47.2 -61.1 -46.1 -30.4 12.7 5.8 250 247 A V H X S+ 0 0 7 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.849 113.5 51.0 -64.3 -32.1 -27.7 11.9 8.4 251 248 A N H X S+ 0 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S+ 0 0 10 -3,-0.6 4,-3.3 -6,-0.3 -1,-0.2 0.875 111.4 53.3 -65.9 -36.9 -39.5 -7.3 13.9 721 157 B Q H X S+ 0 0 73 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.753 107.0 53.5 -71.3 -23.0 -37.0 -5.2 15.8 722 158 B F H X S+ 0 0 56 -4,-1.6 4,-0.9 -3,-0.3 -1,-0.2 0.908 114.2 40.7 -72.0 -43.7 -36.0 -8.3 17.8 723 159 B F H X S+ 0 0 55 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.888 114.5 52.6 -71.3 -42.5 -35.3 -10.1 14.5 724 160 B S H X S+ 0 0 11 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.953 110.2 48.2 -55.1 -52.0 -33.7 -7.1 12.9 725 161 B G H X S+ 0 0 23 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.730 110.6 51.5 -65.8 -23.4 -31.3 -6.7 15.8 726 162 B I H X S+ 0 0 75 -4,-0.9 4,-2.2 2,-0.2 5,-0.2 0.836 110.9 45.7 -85.1 -34.4 -30.4 -10.3 15.7 727 163 B V H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.902 115.5 49.5 -69.3 -41.5 -29.5 -10.4 12.0 728 164 B T H X S+ 0 0 21 -4,-2.6 4,-2.4 -5,-0.2 5,-0.3 0.927 111.6 48.6 -59.3 -47.6 -27.6 -7.2 12.6 729 165 B L H X S+ 0 0 41 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.958 116.4 39.7 -61.2 -54.9 -25.8 -8.6 15.5 730 166 B A H X S+ 0 0 53 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.895 115.9 54.2 -63.1 -41.3 -24.7 -11.8 13.9 731 167 B G H X S+ 0 0 17 -4,-2.5 4,-2.8 -5,-0.2 3,-0.3 0.990 108.3 45.3 -54.1 -68.6 -24.0 -10.1 10.6 732 168 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.768 115.6 51.8 -46.3 -29.0 -21.6 -7.4 12.1 733 169 B V H X S+ 0 0 33 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.925 109.5 44.0 -81.3 -45.1 -19.9 -10.2 14.0 734 170 B I H X S+ 0 0 107 -4,-2.8 4,-1.7 -3,-0.3 -2,-0.2 0.880 116.2 51.8 -64.5 -36.4 -19.3 -12.7 11.1 735 171 B M H X S+ 0 0 19 -4,-2.8 4,-2.1 -5,-0.3 3,-0.5 0.976 107.6 50.0 -61.2 -57.4 -18.1 -9.7 9.1 736 172 B M H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 8,-0.2 0.896 110.3 51.4 -48.4 -46.9 -15.7 -8.5 11.8 737 173 B F H < S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.0 50.0 -64.8 -36.1 -14.2 -11.9 12.1 738 174 B R H < S+ 0 0 151 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.865 114.5 45.6 -71.2 -34.1 -13.6 -12.3 8.3 739 175 B V H < S- 0 0 38 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.923 136.5 -16.7 -70.7 -45.5 -11.9 -8.9 8.2 740 176 B N X - 0 0 19 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.3 -0.938 46.9-161.0-164.3 138.8 -9.8 -9.6 11.3 741 177 B V H > S+ 0 0 78 -2,-0.3 4,-2.9 -3,-0.2 5,-0.2 0.945 92.0 46.3 -86.0 -57.2 -9.8 -12.0 14.3 742 178 B I H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.923 115.9 46.4 -53.0 -50.8 -7.7 -10.3 16.9 743 179 B L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 111.6 53.0 -62.0 -39.2 -9.4 -7.0 16.5 744 180 B S H X S+ 0 0 0 -4,-0.6 4,-2.7 -8,-0.2 -1,-0.2 0.936 109.0 48.6 -58.5 -47.9 -12.8 -8.8 16.6 745 181 B L H < S+ 0 0 99 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 110.0 53.5 -64.6 -30.3 -11.9 -10.5 19.8 746 182 B V H < S+ 0 0 24 -4,-1.9 3,-0.3 -5,-0.2 4,-0.3 0.894 112.1 42.8 -70.8 -40.9 -10.8 -7.1 21.2 747 183 B T H >< S+ 0 0 3 -4,-2.2 3,-2.3 1,-0.2 4,-0.3 0.948 110.8 53.5 -69.4 -49.1 -14.1 -5.4 20.4 748 184 B L T >< S+ 0 0 38 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.582 89.2 85.0 -63.3 -7.2 -16.2 -8.3 21.6 749 185 B S T 3> S+ 0 0 68 -3,-0.3 4,-0.6 1,-0.2 -1,-0.3 0.809 83.9 56.6 -61.3 -30.1 -14.2 -8.0 24.8 750 186 B I H <> S+ 0 0 5 -3,-2.3 4,-2.6 -4,-0.3 -1,-0.2 0.672 86.7 79.6 -78.9 -16.8 -16.7 -5.3 25.8 751 187 B V H <> S+ 0 0 39 -3,-0.9 4,-2.4 -4,-0.3 5,-0.3 0.949 92.3 48.2 -56.1 -54.2 -19.7 -7.6 25.5 752 188 B P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.893 110.7 53.8 -52.7 -40.8 -19.1 -9.3 28.9 753 189 B L H X S+ 0 0 72 -4,-0.6 4,-2.7 2,-0.2 5,-0.3 0.968 110.0 46.7 -58.3 -54.8 -18.8 -5.9 30.4 754 190 B T H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.960 113.8 45.6 -46.1 -66.1 -22.1 -4.8 29.0 755 191 B V H X S+ 0 0 59 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.848 116.0 46.5 -52.3 -41.8 -24.1 -7.8 30.0 756 192 B L H X S+ 0 0 98 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.947 116.4 41.8 -69.6 -51.8 -22.6 -7.9 33.6 757 193 B I H X S+ 0 0 31 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.951 113.4 54.6 -59.0 -49.7 -23.1 -4.2 34.3 758 194 B T H X S+ 0 0 14 -4,-3.3 4,-1.3 -5,-0.3 -1,-0.2 0.867 109.2 48.3 -52.3 -41.5 -26.5 -4.2 32.7 759 195 B Q H X S+ 0 0 133 -4,-1.7 4,-0.9 -5,-0.3 -1,-0.2 0.908 110.9 48.3 -70.5 -42.7 -27.6 -7.1 35.0 760 196 B I H >X S+ 0 0 95 -4,-2.0 4,-1.3 1,-0.2 3,-0.6 0.918 115.6 44.2 -63.1 -44.9 -26.4 -5.6 38.3 761 197 B V H 3X S+ 0 0 15 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.778 108.3 60.1 -71.5 -26.0 -27.9 -2.2 37.6 762 198 B S H 3X S+ 0 0 57 -4,-1.3 4,-0.8 -5,-0.3 -1,-0.2 0.692 103.5 50.0 -76.6 -18.6 -31.1 -3.9 36.4 763 199 B S H < S+ 0 0 4 -4,-1.7 3,-0.8 2,-0.2 -1,-0.2 0.857 114.3 48.2 -78.2 -36.7 -59.3 15.4 49.1 788 224 B S H 3< S+ 0 0 69 -4,-1.5 -2,-0.2 -5,-0.3 3,-0.2 0.775 123.5 33.0 -73.1 -28.3 -62.4 13.4 48.5 789 225 B G T 3X S+ 0 0 4 -4,-1.8 4,-2.0 1,-0.1 3,-0.3 -0.051 79.0 127.7-117.6 28.9 -63.3 13.5 52.2 790 226 B L H <> + 0 0 10 -3,-0.8 4,-1.9 1,-0.2 5,-0.2 0.883 69.0 58.4 -53.1 -44.1 -61.9 17.0 52.9 791 227 B T H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.921 107.8 45.9 -54.8 -49.0 -65.2 18.2 54.5 792 228 B V H > S+ 0 0 6 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.894 108.4 57.4 -58.4 -43.3 -65.1 15.4 57.1 793 229 B I H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 6,-0.4 0.832 112.1 41.3 -59.5 -34.3 -61.5 16.1 57.8 794 230 B K H ><5S+ 0 0 26 -4,-1.9 3,-1.7 -3,-0.3 -2,-0.2 0.900 108.0 59.3 -80.8 -42.8 -62.3 19.7 58.6 795 231 B L H 3<5S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.810 113.5 40.4 -52.3 -31.9 -65.5 18.8 60.6 796 232 B F T 3<5S- 0 0 13 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.356 108.7-122.6-104.0 5.4 -63.2 16.8 62.8 797 233 B T T < 5 + 0 0 32 -3,-1.7 4,-0.3 -5,-0.1 3,-0.2 0.918 60.9 146.6 59.9 46.3 -60.3 19.2 63.0 798 234 B R >< + 0 0 25 -5,-2.8 4,-3.6 1,-0.2 5,-0.3 0.437 28.2 107.0 -97.8 -1.0 -57.9 16.6 61.7 799 235 B E H > S+ 0 0 42 -6,-0.4 4,-3.3 1,-0.2 5,-0.3 0.895 81.5 46.8 -47.6 -55.5 -55.6 18.8 59.7 800 236 B E H > S+ 0 0 121 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.925 117.6 43.9 -53.1 -48.3 -52.7 18.6 62.1 801 237 B K H > S+ 0 0 86 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.925 115.9 46.7 -63.5 -46.5 -53.1 14.8 62.4 802 238 B E H X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.860 108.6 55.5 -66.4 -36.0 -53.5 14.4 58.6 803 239 B M H X S+ 0 0 13 -4,-3.3 4,-2.8 -5,-0.3 -1,-0.2 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