==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-APR-04 1VF2 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR S.C.LIN,Y.C.LO,M.F.TAM,Y.C.LIAW . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 21 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 1 3 5 3 0 1 0 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 4 A K 0 0 139 0, 0.0 26,-0.1 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 119.1 45.4 2.2 28.0 2 5 A P - 0 0 13 0, 0.0 26,-2.2 0, 0.0 2,-0.5 -0.301 360.0-148.1 -60.6 135.5 42.5 4.7 28.4 3 6 A V E -aB 28 56A 22 53,-1.9 53,-2.6 24,-0.2 2,-0.5 -0.919 4.8-149.8-109.9 131.5 40.5 4.2 31.6 4 7 A L E -aB 29 55A 1 24,-2.8 26,-2.6 -2,-0.5 2,-0.6 -0.884 4.4-157.6-107.3 122.9 36.8 5.0 31.8 5 8 A Y E +aB 30 54A 34 49,-3.2 49,-0.9 -2,-0.5 2,-0.3 -0.849 44.5 94.7-101.9 117.1 35.2 6.3 35.0 6 9 A Y E S-a 31 0A 21 24,-1.6 26,-1.3 -2,-0.6 2,-0.2 -0.936 72.1 -61.8-172.7-170.8 31.5 5.7 35.3 7 10 A F - 0 0 4 -2,-0.3 2,-2.4 24,-0.3 26,-0.1 -0.499 60.1 -90.7 -89.9 162.3 28.8 3.4 36.7 8 11 A N S S+ 0 0 102 24,-0.3 2,-0.3 -2,-0.2 3,-0.1 -0.469 99.7 59.0 -73.4 77.0 28.4 -0.2 35.6 9 12 A G S S- 0 0 4 -2,-2.4 4,-0.1 1,-0.2 195,-0.1 -0.984 93.1 -81.2 179.6-179.4 25.9 0.7 32.8 10 13 A R >> + 0 0 17 193,-0.5 4,-1.5 -2,-0.3 3,-1.1 0.999 67.7 125.9 -67.2 -76.1 25.2 2.6 29.6 11 14 A G T 34 S- 0 0 21 1,-0.2 3,-0.3 2,-0.2 4,-0.2 -0.153 93.2 -34.5 50.7-141.7 24.3 6.1 30.6 12 15 A K T 34 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.534 135.4 67.3 -88.7 -7.9 26.4 8.8 28.9 13 16 A M T X> S+ 0 0 0 -3,-1.1 4,-1.8 1,-0.2 3,-0.7 0.715 78.8 80.5 -84.3 -21.7 29.5 6.6 28.8 14 17 A E H 3X S+ 0 0 3 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.839 88.6 52.7 -54.6 -42.3 28.1 3.9 26.3 15 18 A S H 3> S+ 0 0 17 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.841 107.5 53.2 -64.6 -32.6 28.8 6.0 23.2 16 19 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.3 5,-0.2 0.904 107.9 50.4 -68.2 -40.7 32.4 6.4 24.3 17 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.945 110.4 50.9 -60.8 -48.3 32.7 2.7 24.7 18 21 A W H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.891 110.9 47.7 -55.0 -45.4 31.3 2.3 21.1 19 22 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.912 112.8 46.5 -66.4 -44.7 33.7 4.7 19.6 20 23 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.6 0.947 114.6 48.2 -61.9 -49.4 36.9 3.2 21.3 21 24 A A H ><5S+ 0 0 17 -4,-2.6 3,-1.3 -5,-0.2 -2,-0.2 0.914 109.3 52.1 -59.0 -44.2 35.8 -0.3 20.3 22 25 A A H 3<5S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.885 108.4 51.8 -61.3 -36.3 35.1 0.7 16.7 23 26 A A H 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.602 119.8-114.7 -74.5 -10.2 38.5 2.2 16.5 24 27 A G T <<5 + 0 0 53 -3,-1.3 2,-0.5 -4,-0.6 -3,-0.2 0.883 66.5 145.2 78.2 39.6 39.9 -1.1 17.8 25 28 A V < - 0 0 26 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.950 42.0-140.6-115.8 121.4 41.2 0.4 21.1 26 29 A E - 0 0 144 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.508 26.3-176.9 -77.5 147.4 41.1 -1.7 24.3 27 30 A F - 0 0 13 -2,-0.2 2,-0.3 -26,-0.1 -24,-0.2 -0.959 21.8-130.2-144.6 160.0 40.2 0.1 27.5 28 31 A E E -a 3 0A 105 -26,-2.2 -24,-2.8 -2,-0.3 2,-0.3 -0.769 21.8-145.3-108.4 155.4 39.8 -0.4 31.2 29 32 A E E -a 4 0A 40 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.926 10.6-162.9-126.2 150.4 36.8 0.6 33.3 30 33 A V E -a 5 0A 44 -26,-2.6 -24,-1.6 -2,-0.3 2,-0.3 -0.907 17.5-155.3-130.9 101.2 36.4 1.8 36.9 31 34 A F E -a 6 0A 62 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.3 -0.596 10.7-135.6 -83.0 136.4 32.8 1.5 38.2 32 35 A L + 0 0 2 -26,-1.3 -24,-0.3 -2,-0.3 184,-0.1 -0.799 38.5 153.3 -90.6 119.6 31.6 3.8 41.0 33 36 A E + 0 0 110 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.716 54.9 52.3-114.8 -36.9 29.7 1.7 43.5 34 37 A T >> - 0 0 56 1,-0.1 4,-1.3 182,-0.1 3,-0.6 -0.822 68.7-135.3-110.5 147.0 30.0 3.6 46.8 35 38 A R H 3> S+ 0 0 44 -2,-0.3 4,-2.4 1,-0.3 3,-0.4 0.890 110.5 56.0 -59.6 -40.5 29.3 7.3 47.7 36 39 A E H 3> S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.796 102.6 56.2 -63.6 -27.7 32.6 7.3 49.6 37 40 A Q H <> S+ 0 0 63 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.846 108.6 46.7 -72.7 -33.5 34.3 6.2 46.4 38 41 A Y H X S+ 0 0 15 -4,-1.3 4,-2.0 -3,-0.4 3,-0.3 0.908 108.3 54.4 -73.0 -44.0 32.9 9.2 44.5 39 42 A E H X S+ 0 0 81 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.832 102.6 59.4 -59.4 -32.4 33.8 11.6 47.3 40 43 A K H X S+ 0 0 147 -4,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.918 104.1 50.3 -62.0 -42.8 37.4 10.3 47.0 41 44 A L H X>S+ 0 0 22 -4,-1.1 5,-1.4 -3,-0.3 4,-0.8 0.942 110.4 48.2 -60.1 -49.3 37.4 11.4 43.4 42 45 A L H ><5S+ 0 0 54 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.909 106.8 59.4 -56.8 -43.3 36.2 14.9 44.3 43 46 A Q H 3<5S+ 0 0 166 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.930 108.7 41.3 -50.6 -54.4 38.8 15.0 47.0 44 47 A S H 3<5S- 0 0 77 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.606 107.5-136.2 -71.3 -9.9 41.6 14.6 44.5 45 48 A G T <<5 + 0 0 48 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.919 56.9 141.9 54.4 49.2 39.7 17.0 42.3 46 49 A I < + 0 0 36 -5,-1.4 2,-1.0 1,-0.2 -4,-0.1 0.657 54.6 75.6 -90.5 -19.6 40.2 15.0 39.2 47 50 A L S > S- 0 0 7 -6,-0.3 3,-3.2 1,-0.2 -1,-0.2 -0.786 72.6-158.0 -94.7 94.0 36.6 15.7 38.0 48 51 A M T 3 S+ 0 0 54 -2,-1.0 -1,-0.2 13,-0.3 310,-0.1 0.786 94.5 26.7 -42.1 -38.8 36.9 19.4 36.8 49 52 A F T 3 S- 0 0 2 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.082 115.3-105.9-115.1 23.7 33.2 19.8 37.2 50 53 A Q S < S+ 0 0 67 -3,-3.2 2,-0.3 1,-0.2 -2,-0.1 0.757 87.1 113.7 60.5 25.6 32.6 17.2 39.9 51 54 A Q - 0 0 60 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.855 55.1-112.6-129.7 162.6 31.0 15.1 37.2 52 55 A V S S+ 0 0 23 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.864 74.2 82.6-125.9 159.6 31.4 11.8 35.2 53 56 A P + 0 0 7 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.440 64.6 168.0 -51.2 158.1 31.9 10.5 32.6 54 57 A M E -BC 5 63A 0 -49,-0.9 -49,-3.2 -2,-0.2 2,-0.4 -0.937 14.5-167.0-153.0 130.3 35.6 11.0 33.0 55 58 A V E -BC 4 62A 0 7,-2.5 7,-1.8 -2,-0.3 2,-0.7 -0.989 14.2-148.9-130.0 131.3 38.2 9.4 30.9 56 59 A E E +BC 3 61A 55 -53,-2.6 -53,-1.9 -2,-0.4 2,-0.3 -0.879 39.3 147.0 -96.3 115.9 42.0 9.1 31.4 57 60 A I E > - C 0 60A 5 3,-1.6 3,-0.8 -2,-0.7 5,-0.1 -0.983 61.2 -3.2-153.7 140.3 43.7 9.0 28.0 58 61 A D T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.844 130.3 -52.4 44.6 44.7 47.0 10.3 26.7 59 62 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.855 113.0 116.7 65.1 37.8 47.8 11.8 30.1 60 63 A M E < -C 57 0A 30 -3,-0.8 -3,-1.6 2,-0.1 2,-0.8 -0.990 60.4-145.6-138.4 146.0 44.6 13.8 30.5 61 64 A K E -C 56 0A 92 -2,-0.3 -13,-0.3 -5,-0.2 2,-0.3 -0.707 35.9-172.8-105.7 74.4 41.6 13.7 32.8 62 65 A L E +C 55 0A 1 -7,-1.8 -7,-2.5 -2,-0.8 2,-0.3 -0.560 8.3 179.4 -78.3 130.9 39.0 14.6 30.3 63 66 A V E +C 54 0A 2 -2,-0.3 -9,-0.2 -9,-0.2 257,-0.1 -0.761 43.8 69.9-120.1 169.2 35.4 15.3 31.4 64 67 A Q S >> S- 0 0 28 -11,-0.7 4,-1.9 -2,-0.3 3,-1.0 0.810 73.6-124.5 82.5 101.6 32.4 16.3 29.3 65 68 A T H 3> S+ 0 0 24 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.860 108.3 48.7 -40.1 -56.7 31.1 13.5 27.1 66 69 A R H 3> S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.830 108.3 55.5 -59.7 -32.2 31.2 15.5 23.8 67 70 A A H <> S+ 0 0 1 -3,-1.0 4,-1.6 249,-0.2 -1,-0.2 0.937 110.3 45.5 -64.2 -46.2 34.8 16.6 24.6 68 71 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 114.4 47.3 -62.0 -48.1 35.9 13.0 25.0 69 72 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.900 109.2 53.1 -62.9 -43.3 34.1 11.8 21.9 70 73 A N H X S+ 0 0 2 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.867 111.1 48.8 -60.0 -36.7 35.5 14.6 19.7 71 74 A Y H X S+ 0 0 9 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.930 112.4 45.2 -68.8 -49.3 39.0 13.7 20.8 72 75 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.907 113.9 50.6 -61.5 -44.7 38.7 10.0 20.2 73 76 A A H <>S+ 0 0 0 -4,-2.6 5,-3.2 -5,-0.2 6,-0.5 0.917 114.9 42.0 -62.4 -44.0 37.1 10.6 16.8 74 77 A G H ><5S+ 0 0 20 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.882 112.5 53.7 -71.8 -37.6 39.8 13.0 15.7 75 78 A K H 3<5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.0 42.3 -64.3 -39.6 42.7 11.0 17.0 76 79 A Y T 3<5S- 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.028 116.0-108.1 -99.1 27.3 41.7 7.8 15.2 77 80 A N T < 5S+ 0 0 134 -3,-1.1 -3,-0.2 1,-0.1 3,-0.2 0.872 84.9 120.9 51.2 46.8 40.8 9.5 11.9 78 81 A L < + 0 0 18 -5,-3.2 74,-2.9 -6,-0.2 75,-0.3 0.076 53.3 81.2-120.9 20.9 37.0 9.0 12.3 79 82 A Y S S- 0 0 11 -6,-0.5 -1,-0.1 1,-0.4 10,-0.1 -0.016 100.1-101.0-117.0 29.0 36.2 12.7 12.1 80 83 A G - 0 0 35 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.070 32.7 -88.8 79.4 175.9 36.3 13.4 8.3 81 84 A K S S+ 0 0 151 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.785 97.3 14.4 -98.0 -32.2 39.1 14.9 6.2 82 85 A D S > S- 0 0 62 1,-0.0 4,-2.2 -3,-0.0 3,-0.2 -0.823 85.6 -89.9-137.6 175.9 38.3 18.6 6.3 83 86 A L H > S+ 0 0 65 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.844 121.7 56.0 -55.6 -37.5 36.2 21.2 8.2 84 87 A K H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 109.5 43.7 -63.0 -46.3 33.3 20.8 5.8 85 88 A E H > S+ 0 0 18 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.863 112.3 53.7 -67.9 -36.1 33.0 17.0 6.5 86 89 A R H X S+ 0 0 25 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.910 105.2 54.3 -63.4 -40.9 33.5 17.6 10.2 87 90 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.921 109.9 47.7 -59.3 -41.5 30.6 20.0 10.0 88 91 A L H X S+ 0 0 52 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.921 111.5 49.7 -65.2 -44.1 28.5 17.3 8.4 89 92 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 111.5 48.8 -60.7 -45.3 29.5 14.7 11.0 90 93 A D H X S+ 0 0 1 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.867 110.8 50.5 -63.7 -37.8 28.7 17.1 13.9 91 94 A M H X S+ 0 0 14 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.937 114.5 43.4 -66.3 -44.8 25.3 17.9 12.4 92 95 A Y H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.917 113.8 49.9 -65.9 -45.1 24.4 14.2 12.0 93 96 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.799 103.8 62.1 -63.8 -30.5 25.8 13.2 15.5 94 97 A G H X S+ 0 0 1 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.893 103.7 49.2 -63.3 -37.3 23.8 16.1 16.9 95 98 A G H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.935 114.9 40.2 -68.0 -49.2 20.6 14.4 15.8 96 99 A T H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.765 111.5 58.8 -71.5 -26.0 21.3 10.9 17.1 97 100 A D H X S+ 0 0 59 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.905 109.9 44.1 -69.1 -37.8 22.8 12.5 20.3 98 101 A D H X S+ 0 0 55 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.912 113.3 50.8 -70.3 -42.7 19.3 14.1 20.8 99 102 A L H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.959 115.1 41.0 -59.6 -52.7 17.5 10.9 19.9 100 103 A M H >< S+ 0 0 18 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.795 104.3 68.7 -67.0 -27.4 19.5 8.8 22.4 101 104 A G H >< S+ 0 0 38 -4,-1.5 3,-1.0 1,-0.3 4,-0.4 0.818 91.4 61.6 -60.5 -29.3 19.3 11.6 24.9 102 105 A F T << S+ 0 0 60 -3,-1.0 -1,-0.3 -4,-1.0 4,-0.2 0.683 104.1 48.2 -70.1 -19.6 15.6 10.9 25.2 103 106 A L T < S+ 0 0 9 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.409 87.1 89.1 -99.2 -0.2 16.3 7.3 26.4 104 107 A L S < S+ 0 0 71 -3,-1.0 -2,-0.1 -4,-0.4 -1,-0.1 0.858 95.9 35.4 -65.4 -36.4 18.9 8.5 29.0 105 108 A S S >> S+ 0 0 31 -4,-0.4 3,-2.2 -3,-0.2 4,-0.6 0.615 88.1 99.8 -93.0 -15.8 16.3 8.9 31.8 106 109 A F G >4 S+ 0 0 31 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.846 78.7 56.6 -37.0 -52.4 14.1 6.0 30.8 107 110 A P G 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.810 108.1 47.9 -53.9 -32.9 15.6 3.8 33.5 108 111 A F G <4 S+ 0 0 25 -3,-2.2 115,-0.5 -4,-0.1 -2,-0.2 0.448 95.8 98.8 -89.6 0.2 14.7 6.3 36.2 109 112 A L S << S- 0 0 13 -3,-2.1 2,-0.2 -4,-0.6 115,-0.1 -0.323 76.3-106.9 -83.0 168.1 11.1 6.7 34.9 110 113 A S > - 0 0 50 113,-0.2 4,-3.3 1,-0.1 5,-0.3 -0.490 31.6-104.6 -90.9 164.6 8.0 5.0 36.3 111 114 A A H > S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.828 124.4 51.8 -56.5 -29.7 6.1 2.2 34.7 112 115 A E H > S+ 0 0 144 2,-0.2 4,-0.9 1,-0.2 3,-0.4 0.983 115.3 36.5 -69.6 -59.7 3.5 4.9 33.8 113 116 A D H > S+ 0 0 26 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.778 108.6 65.6 -66.1 -29.3 5.9 7.4 32.2 114 117 A K H X S+ 0 0 58 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.897 101.2 49.4 -60.7 -40.8 8.1 4.7 30.6 115 118 A V H X S+ 0 0 108 -4,-1.0 4,-1.0 -3,-0.4 -1,-0.2 0.823 115.0 46.9 -66.6 -29.5 5.1 3.6 28.4 116 119 A K H X S+ 0 0 130 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.926 113.7 45.0 -75.3 -49.1 4.8 7.3 27.6 117 120 A Q H X S+ 0 0 17 -4,-3.6 4,-2.7 1,-0.2 -2,-0.2 0.876 109.4 56.9 -63.0 -40.1 8.5 7.9 26.9 118 121 A C H X S+ 0 0 34 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.872 109.0 45.9 -60.2 -39.2 8.8 4.7 24.8 119 122 A A H X S+ 0 0 62 -4,-1.0 4,-1.6 -5,-0.2 -1,-0.2 0.831 111.7 52.9 -73.4 -32.7 6.0 6.0 22.5 120 123 A F H X S+ 0 0 81 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.919 110.5 46.3 -67.8 -46.1 7.6 9.4 22.3 121 124 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.966 113.4 46.7 -62.3 -54.4 11.0 8.1 21.3 122 125 A V H X S+ 0 0 19 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.858 112.6 53.5 -57.0 -35.8 9.7 5.7 18.6 123 126 A E H X S+ 0 0 110 -4,-1.6 4,-1.9 2,-0.2 5,-0.3 0.951 111.5 42.9 -63.3 -51.6 7.5 8.5 17.4 124 127 A K H X>S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 5,-2.0 0.878 114.1 53.2 -63.1 -39.0 10.5 10.9 17.0 125 128 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 3,-0.2 -2,-0.2 0.958 115.3 37.0 -61.8 -53.2 12.7 8.2 15.5 126 129 A T H <5S+ 0 0 47 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.743 127.2 34.2 -75.4 -24.6 10.2 7.2 12.7 127 130 A S H <5S+ 0 0 56 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.695 132.8 16.5-104.9 -21.3 8.9 10.6 11.9 128 131 A R T X5S+ 0 0 37 -4,-2.1 4,-0.7 -5,-0.3 -3,-0.2 0.797 126.2 29.0-117.1 -52.2 11.9 12.9 12.4 129 132 A Y H >> S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.895 107.9 52.3 -60.8 -36.6 13.6 9.8 7.6 132 135 A A H S+ 0 0 5 -4,-1.8 5,-1.4 2,-0.2 4,-1.1 0.914 118.5 42.7 -63.3 -45.0 21.9 8.0 1.8 138 141 A K H <5S+ 0 0 151 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.955 115.4 46.2 -67.7 -53.5 19.3 8.1 -1.1 139 142 A D H <5S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.796 123.7 35.1 -61.2 -32.3 19.9 11.7 -2.2 140 143 A H H <5S- 0 0 114 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.580 99.4-134.8 -99.3 -10.2 23.7 11.3 -2.1 141 144 A G T <5 + 0 0 64 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.939 55.7 143.0 56.5 47.7 23.7 7.7 -3.3 142 145 A Q < - 0 0 44 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.795 55.6-147.9-117.8 162.7 26.3 6.8 -0.6 143 146 A D S S+ 0 0 84 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.1 0.448 90.4 46.0-103.9 -6.9 26.8 3.8 1.7 144 147 A F S S- 0 0 39 -7,-0.1 4,-0.4 1,-0.1 3,-0.1 -0.944 86.2-120.5-133.3 153.0 28.2 6.0 4.5 145 148 A L S S+ 0 0 3 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.861 94.1 25.9 -63.6 -38.4 26.8 9.2 5.9 146 149 A V S > S- 0 0 3 3,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.989 129.7 -8.2-135.7 136.7 29.9 11.3 5.1 147 150 A G T 3 S- 0 0 30 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.1 0.650 103.0 -91.6 59.8 14.5 32.7 11.1 2.6 148 151 A N T 3 S+ 0 0 78 -4,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.866 105.5 98.8 46.8 39.9 31.4 7.7 1.6 149 152 A R S < S- 0 0 136 -3,-1.6 -3,-0.4 -7,-0.0 -1,-0.2 -0.973 88.5 -78.8-153.6 141.7 33.8 6.3 4.1 150 153 A L + 0 0 38 -2,-0.3 2,-0.3 -3,-0.1 -70,-0.2 -0.052 58.6 161.4 -43.5 133.2 33.3 5.1 7.8 151 154 A S >> - 0 0 3 -72,-0.1 3,-1.6 1,-0.0 4,-1.3 -0.953 56.5 -90.6-149.9 166.4 33.1 8.0 10.3 152 155 A W H 3> S+ 0 0 2 -74,-2.9 4,-2.5 -2,-0.3 5,-0.2 0.824 121.1 64.6 -49.0 -36.4 32.0 8.6 13.8 153 156 A A H 3> S+ 0 0 2 -75,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.873 101.3 49.5 -57.8 -38.0 28.6 9.6 12.4 154 157 A D H <> S+ 0 0 0 -3,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.899 112.0 47.5 -67.9 -41.3 28.0 6.1 11.1 155 158 A I H X S+ 0 0 2 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.857 112.3 49.4 -67.6 -38.0 28.9 4.5 14.4 156 159 A H H X S+ 0 0 2 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.853 111.0 49.8 -72.7 -34.4 26.7 6.9 16.4 157 160 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.903 108.4 52.8 -71.1 -39.6 23.7 6.2 14.0 158 161 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 109.4 49.2 -61.7 -41.8 24.1 2.4 14.4 159 162 A E H X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.934 111.8 48.7 -62.2 -46.4 24.0 2.7 18.2 160 163 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.902 109.8 52.3 -60.3 -43.4 20.9 4.8 18.1 161 164 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 109.6 48.5 -59.6 -47.3 19.2 2.4 15.7 162 165 A L H X S+ 0 0 21 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.840 109.2 53.6 -63.9 -32.5 19.9 -0.6 17.9 163 166 A M H X S+ 0 0 25 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.854 110.8 46.1 -70.5 -33.9 18.6 1.4 20.9 164 167 A V H >X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 3,-1.0 0.892 109.0 55.1 -74.6 -39.1 15.3 2.1 19.1 165 168 A E H 3< S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.807 99.3 61.7 -64.1 -27.3 15.0 -1.5 18.0 166 169 A E H 3< S+ 0 0 70 -4,-1.3 -1,-0.3 1,-0.2 3,-0.2 0.797 111.9 38.8 -67.0 -26.8 15.3 -2.6 21.6 167 170 A K H << S+ 0 0 46 -3,-1.0 2,-0.3 -4,-0.6 -2,-0.2 0.743 137.0 15.2 -91.8 -29.8 12.1 -0.6 22.2 168 171 A K >< - 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0 0 25 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.809 40.9-138.5 -97.1 129.3 32.6 38.3 10.7 252 1029 B E + 0 0 155 -2,-0.5 2,-0.3 -3,-0.1 -5,-0.0 -0.667 28.7 176.1 -86.4 137.7 29.5 40.2 9.6 253 1030 B F - 0 0 10 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.2 -0.915 23.1-133.6-139.0 165.0 26.2 38.3 9.4 254 1031 B E E -d 229 0B 131 -26,-2.5 -24,-2.7 -2,-0.3 2,-0.4 -0.801 18.8-140.8-115.6 160.2 22.5 38.8 8.7 255 1032 B E E -d 230 0B 35 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.951 8.9-161.7-127.1 145.3 19.5 37.5 10.6 256 1033 B V E -d 231 0B 52 -26,-2.6 -24,-1.9 -2,-0.4 2,-0.4 -0.956 19.5-153.1-122.7 108.6 16.2 36.1 9.6 257 1034 B F E -d 232 0B 54 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.3 -0.696 6.5-141.6 -88.9 129.6 13.7 36.2 12.4 258 1035 B L + 0 0 3 -26,-1.9 -24,-0.3 -2,-0.4 184,-0.1 -0.786 35.4 154.3 -88.3 122.7 10.8 33.7 12.6 259 1036 B E + 0 0 102 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.484 54.1 51.8-125.5 -9.8 7.7 35.4 13.8 260 1037 B T S > S- 0 0 66 1,-0.1 4,-1.5 182,-0.1 -1,-0.2 -0.971 70.2-129.9-135.2 149.8 4.8 33.4 12.4 261 1038 B R H > S+ 0 0 60 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.773 108.4 64.7 -61.3 -25.7 3.7 29.7 12.2 262 1039 B E H > S+ 0 0 125 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.969 101.6 42.3 -62.4 -59.4 3.4 30.3 8.5 263 1040 B Q H > S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.823 114.1 54.5 -60.5 -32.0 7.0 31.0 7.6 264 1041 B Y H X S+ 0 0 17 -4,-1.5 4,-2.4 2,-0.2 3,-0.4 0.972 109.9 44.1 -66.1 -53.7 8.1 28.1 9.9 265 1042 B E H X S+ 0 0 76 -4,-2.3 4,-2.0 1,-0.3 -2,-0.2 0.853 112.9 53.6 -58.8 -35.1 5.8 25.6 8.1 266 1043 B K H X S+ 0 0 143 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.837 107.7 51.1 -67.4 -31.4 7.0 27.0 4.9 267 1044 B L H X>S+ 0 0 25 -4,-1.5 5,-1.1 -3,-0.4 4,-0.8 0.893 109.9 48.0 -72.0 -39.8 10.6 26.4 6.1 268 1045 B L H <5S+ 0 0 53 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.833 107.5 59.2 -66.9 -32.6 9.7 22.8 6.9 269 1046 B Q H <5S+ 0 0 165 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.953 102.4 49.8 -60.6 -52.0 8.2 22.6 3.5 270 1047 B S H <5S- 0 0 71 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.730 104.4-137.5 -60.0 -21.5 11.4 23.5 1.7 271 1048 B G T <5 + 0 0 46 -4,-0.8 -3,-0.2 -3,-0.2 -2,-0.1 0.774 61.9 133.3 69.0 26.2 13.0 20.8 3.9 272 1049 B I < + 0 0 46 -5,-1.1 2,-1.0 1,-0.1 -4,-0.1 0.569 54.2 78.0 -83.4 -9.9 16.1 22.9 4.6 273 1050 B L S > S- 0 0 7 -6,-0.4 3,-2.8 1,-0.2 -1,-0.1 -0.819 71.3-160.0-101.3 93.6 15.8 22.1 8.4 274 1051 B M T 3 S+ 0 0 41 -2,-1.0 -1,-0.2 1,-0.3 14,-0.0 0.803 93.0 23.8 -42.5 -42.3 17.3 18.6 8.5 275 1052 B F T 3 S- 0 0 1 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.138 114.1-106.9-113.6 20.7 15.6 17.8 11.8 276 1053 B Q S < S+ 0 0 72 -3,-2.8 2,-0.3 1,-0.2 -2,-0.1 0.696 85.1 117.7 64.0 21.4 12.8 20.4 11.5 277 1054 B Q - 0 0 58 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.846 55.0-113.7-123.6 156.4 14.6 22.5 14.1 278 1055 B V S S+ 0 0 23 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.880 75.3 82.5-118.9 157.1 16.3 25.9 14.5 279 1056 B P + 0 0 6 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.315 64.0 166.8 -50.6 148.7 19.0 27.2 15.0 280 1057 B M E -EF 231 289B 0 -49,-1.1 -49,-3.0 -2,-0.2 2,-0.4 -0.987 15.5-168.6-144.3 134.3 19.9 27.0 11.3 281 1058 B V E -EF 230 288B 0 7,-2.7 7,-2.5 -2,-0.4 2,-0.8 -0.991 14.9-149.5-132.1 128.3 22.8 28.8 9.7 282 1059 B E E +EF 229 287B 46 -53,-2.3 -53,-1.9 -2,-0.4 2,-0.3 -0.863 38.6 151.8 -94.3 112.3 23.5 29.2 6.0 283 1060 B I E > - F 0 286B 6 3,-2.2 3,-1.7 -2,-0.8 5,-0.1 -0.994 60.4 -7.9-146.7 137.2 27.3 29.4 5.7 284 1061 B D T 3 S- 0 0 60 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.847 129.4 -50.4 44.7 47.7 29.7 28.4 3.0 285 1062 B G T 3 S+ 0 0 80 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.687 115.7 112.4 70.3 19.1 27.0 26.7 0.9 286 1063 B M E < -F 283 0B 22 -3,-1.7 -3,-2.2 2,-0.0 2,-1.0 -0.961 60.5-147.0-125.8 142.9 25.7 24.6 3.8 287 1064 B K E -F 282 0B 99 -2,-0.4 2,-0.4 -5,-0.2 -13,-0.3 -0.799 34.9-168.1-103.6 86.0 22.4 24.8 5.7 288 1065 B L E +F 281 0B 0 -7,-2.5 -7,-2.7 -2,-1.0 2,-0.3 -0.636 12.5 179.4 -85.4 133.0 23.8 23.7 9.1 289 1066 B V E +F 280 0B 3 -2,-0.4 -9,-0.2 -9,-0.2 -195,-0.1 -0.782 45.0 71.2-119.6 168.3 21.6 22.7 12.0 290 1067 B Q S >> S- 0 0 29 -11,-0.7 4,-2.1 -2,-0.3 3,-0.9 0.798 72.3-127.1 84.3 100.5 22.6 21.6 15.5 291 1068 B T H 3> S+ 0 0 16 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.842 107.2 49.2 -41.8 -51.3 24.0 24.4 17.6 292 1069 B R H 3> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.853 108.8 53.4 -64.1 -33.7 27.2 22.7 18.5 293 1070 B A H <> S+ 0 0 1 -3,-0.9 4,-1.8 -203,-0.2 -1,-0.2 0.932 111.5 46.4 -64.4 -45.4 27.9 21.7 14.9 294 1071 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.905 114.7 45.9 -62.6 -45.0 27.6 25.3 13.8 295 1072 B L H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.945 110.4 53.1 -64.4 -49.7 29.8 26.6 16.7 296 1073 B N H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.873 111.1 47.7 -51.7 -44.0 32.5 24.0 16.1 297 1074 B Y H X S+ 0 0 11 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.907 112.2 47.1 -67.7 -44.6 32.7 24.9 12.4 298 1075 B I H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.919 112.9 50.8 -63.9 -42.1 32.9 28.6 13.0 299 1076 B A H <>S+ 0 0 0 -4,-3.0 5,-3.0 1,-0.2 6,-0.5 0.916 114.7 42.7 -61.5 -44.5 35.6 28.1 15.7 300 1077 B G H ><5S+ 0 0 15 -4,-2.2 3,-1.4 -5,-0.2 5,-0.2 0.925 111.7 53.5 -68.7 -45.2 37.6 25.9 13.4 301 1078 B K H 3<5S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.850 114.3 40.5 -59.4 -38.1 37.3 28.1 10.3 302 1079 B Y T 3<5S- 0 0 65 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.035 115.5-108.9-104.6 31.8 38.5 31.2 12.1 303 1080 B N T < 5S+ 0 0 128 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.884 83.5 121.6 42.6 59.7 41.3 29.6 14.1 304 1081 B L < + 0 0 16 -5,-3.0 74,-2.8 -6,-0.1 75,-0.3 0.080 54.9 80.7-127.8 16.4 39.7 29.8 17.5 305 1082 B Y S S- 0 0 15 -6,-0.5 10,-0.1 1,-0.4 11,-0.1 0.090 100.3-103.3-112.4 22.3 39.8 26.0 18.0 306 1083 B G - 0 0 39 70,-0.2 -1,-0.4 1,-0.1 3,-0.1 -0.194 30.4 -89.1 85.5 178.9 43.4 25.6 19.1 307 1084 B K S S+ 0 0 158 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.686 98.7 18.5-104.5 -24.3 46.4 24.3 17.2 308 1085 B D S > S- 0 0 51 -3,-0.1 4,-2.1 1,-0.0 3,-0.2 -0.835 85.3 -93.9-139.4 176.7 46.2 20.5 17.9 309 1086 B L H > S+ 0 0 67 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.833 120.8 56.9 -62.1 -34.5 43.8 17.8 19.1 310 1087 B K H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.879 109.0 44.1 -66.4 -39.2 45.0 18.2 22.6 311 1088 B E H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 111.3 54.4 -73.0 -36.4 44.2 21.9 22.7 312 1089 B R H X S+ 0 0 21 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.866 105.0 55.4 -63.8 -34.7 40.9 21.2 21.1 313 1090 B A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.884 109.3 45.7 -66.7 -37.2 40.2 18.7 23.9 314 1091 B L H X S+ 0 0 52 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.931 113.4 49.6 -69.7 -44.6 40.7 21.3 26.5 315 1092 B I H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.928 112.0 48.2 -58.7 -47.2 38.6 23.9 24.6 316 1093 B D H X S+ 0 0 1 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.857 112.1 50.0 -62.0 -38.1 35.8 21.3 24.2 317 1094 B M H X S+ 0 0 8 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.943 113.5 44.1 -67.3 -47.1 36.0 20.5 27.9 318 1095 B Y H X S+ 0 0 19 -4,-2.9 4,-1.8 1,-0.2 3,-0.5 0.928 113.7 50.7 -63.3 -45.7 35.9 24.1 29.1 319 1096 B V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.829 103.3 61.2 -61.7 -31.9 33.1 24.9 26.6 320 1097 B G H X S+ 0 0 2 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.892 104.3 49.2 -62.7 -38.2 31.1 21.9 27.9 321 1098 B G H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.5 -2,-0.2 0.966 114.7 41.1 -66.1 -52.8 31.1 23.5 31.4 322 1099 B T H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.792 110.8 58.9 -67.2 -26.8 29.8 26.9 30.3 323 1100 B D H X S+ 0 0 54 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.926 108.7 45.4 -67.6 -43.0 27.4 25.3 27.8 324 1101 B D H X S+ 0 0 57 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.928 113.2 50.8 -64.4 -44.0 25.8 23.4 30.8 325 1102 B L H >< S+ 0 0 2 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.947 114.5 40.7 -58.5 -52.7 25.7 26.6 32.9 326 1103 B M H >< S+ 0 0 18 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.807 105.8 68.2 -67.8 -27.0 24.1 28.8 30.2 327 1104 B G H >< S+ 0 0 41 -4,-1.8 3,-0.8 1,-0.3 4,-0.5 0.791 91.2 61.1 -61.9 -27.4 21.8 25.8 29.4 328 1105 B F T << S+ 0 0 58 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.703 105.3 48.3 -72.5 -18.3 20.2 26.3 32.8 329 1106 B L T < S+ 0 0 10 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.433 86.0 87.8-100.3 -1.8 19.1 29.8 31.8 330 1107 B L S < S+ 0 0 69 -3,-0.8 4,-0.2 -4,-0.4 -1,-0.1 0.876 96.2 38.8 -64.9 -37.6 17.6 28.8 28.4 331 1108 B S S >> S+ 0 0 31 -4,-0.5 3,-1.6 1,-0.2 4,-0.8 0.598 87.7 98.7 -88.6 -12.8 14.2 28.1 29.9 332 1109 B F G >4 S+ 0 0 31 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.863 79.4 54.8 -41.1 -52.7 14.2 30.9 32.4 333 1110 B P G 34 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.816 109.5 47.9 -54.0 -33.8 12.1 33.2 30.1 334 1111 B F G <4 S+ 0 0 23 -3,-1.6 115,-0.4 -4,-0.2 -2,-0.2 0.521 93.3 100.9 -86.9 -6.6 9.4 30.5 29.9 335 1112 B L S << S- 0 0 7 -3,-1.7 115,-0.1 -4,-0.8 2,-0.1 -0.431 80.0-104.3 -79.4 154.9 9.4 29.9 33.6 336 1113 B S > - 0 0 53 113,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.386 34.7-104.0 -74.4 156.6 6.7 31.3 35.9 337 1114 B A H > S+ 0 0 77 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.771 125.8 49.2 -50.1 -27.0 7.5 34.3 38.1 338 1115 B E H >> S+ 0 0 139 2,-0.2 4,-1.1 1,-0.1 3,-0.9 0.946 111.9 43.3 -77.8 -55.1 7.6 31.7 40.9 339 1116 B D H 3> S+ 0 0 26 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.785 103.7 68.2 -62.9 -29.1 9.8 29.2 39.3 340 1117 B K H 3X S+ 0 0 61 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.866 98.2 51.4 -59.1 -36.9 12.1 31.9 38.0 341 1118 B V H S+ 0 0 41 -4,-2.4 5,-2.1 2,-0.2 4,-1.8 0.876 112.8 50.5 -64.2 -40.0 26.1 26.3 40.3 351 1128 B A H <>S+ 0 0 0 -4,-2.2 5,-3.1 3,-0.2 -2,-0.2 0.924 118.1 35.6 -65.1 -47.7 28.1 29.2 39.0 352 1129 B T H <5S+ 0 0 46 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.761 126.6 36.2 -82.0 -25.4 29.8 30.0 42.3 353 1130 B S H <5S+ 0 0 52 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.682 132.9 14.1-102.0 -19.4 30.2 26.5 43.7 354 1131 B R T X5S+ 0 0 41 -4,-1.8 4,-0.8 -5,-0.3 -3,-0.2 0.759 127.1 29.1-121.0 -53.3 30.9 24.5 40.6 355 1132 B Y H > S+ 0 0 45 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 108.0 53.9 -58.5 -41.3 36.0 27.8 40.9 358 1135 B A H X S+ 0 0 12 -4,-0.8 4,-1.1 -3,-0.2 -2,-0.2 0.899 114.1 38.2 -60.0 -46.0 36.9 25.5 38.1 359 1136 B Y H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.824 112.6 57.9 -76.2 -31.6 37.9 28.2 35.6 360 1137 B E H X S+ 0 0 25 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.907 107.2 49.7 -62.7 -40.4 39.5 30.3 38.4 361 1138 B K H X S+ 0 0 123 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.832 107.5 54.0 -67.4 -34.4 41.7 27.3 39.2 362 1139 B V H X S+ 0 0 17 -4,-1.1 4,-1.1 2,-0.2 5,-0.2 0.925 108.7 47.3 -66.6 -46.4 42.7 26.9 35.5 363 1140 B L H X>S+ 0 0 5 -4,-2.0 4,-1.5 1,-0.2 5,-0.5 0.876 115.6 45.9 -62.8 -38.8 43.9 30.5 35.1 364 1141 B K H <5S+ 0 0 142 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 103.7 63.0 -73.4 -36.2 45.9 30.3 38.4 365 1142 B D H <5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.792 124.5 16.3 -60.6 -30.1 47.4 26.9 37.5 366 1143 B H H <5S- 0 0 59 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.468 91.2-141.0-120.4 -7.9 49.2 28.4 34.5 367 1144 B G T <5 + 0 0 65 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.2 0.822 51.5 142.6 49.6 38.1 48.9 32.1 35.3 368 1145 B Q < - 0 0 69 -5,-0.5 -1,-0.2 2,-0.2 -2,-0.1 -0.639 62.1-120.0-105.2 165.4 48.3 32.9 31.7 369 1146 B D S S+ 0 0 84 -2,-0.2 2,-0.3 5,-0.1 -1,-0.1 0.745 94.9 46.0 -74.2 -26.3 46.0 35.6 30.1 370 1147 B F S S- 0 0 39 1,-0.1 4,-0.3 -7,-0.1 -2,-0.2 -0.800 84.2-117.7-118.1 160.8 44.0 33.0 28.2 371 1148 B L S S+ 0 0 2 -2,-0.3 2,-0.3 1,-0.2 5,-0.1 0.823 93.6 9.0 -65.3 -33.1 42.4 29.7 29.0 372 1149 B V S > S+ 0 0 11 3,-0.5 3,-1.2 1,-0.1 -1,-0.2 -0.995 123.0 9.4-155.3 144.8 44.4 27.7 26.5 373 1150 B G T 3 S- 0 0 33 -2,-0.3 -2,-0.1 1,-0.3 3,-0.1 0.660 105.2 -89.5 65.5 17.3 47.4 28.0 24.1 374 1151 B N T 3 S+ 0 0 91 -4,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.854 106.2 86.2 47.4 39.6 48.2 31.4 25.6 375 1152 B R S < S- 0 0 156 -3,-1.2 -3,-0.5 -71,-0.0 -1,-0.1 -0.981 91.0 -73.2-160.7 158.0 45.9 33.0 23.0 376 1153 B L + 0 0 34 -2,-0.3 2,-0.3 -6,-0.1 -70,-0.2 -0.286 57.2 163.9 -57.8 130.9 42.2 33.8 22.4 377 1154 B S >> - 0 0 4 -72,-0.1 4,-1.5 1,-0.0 3,-1.2 -0.894 54.8 -92.4-141.6 171.8 40.1 30.8 21.7 378 1155 B W H 3> S+ 0 0 1 -74,-2.8 4,-2.9 -2,-0.3 5,-0.3 0.858 121.1 63.9 -54.9 -36.5 36.4 29.9 21.7 379 1156 B A H 3> S+ 0 0 1 -75,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.857 102.6 49.3 -58.6 -34.6 36.7 28.8 25.3 380 1157 B D H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.925 112.1 46.8 -69.6 -45.4 37.5 32.3 26.3 381 1158 B I H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.933 112.9 48.9 -61.5 -48.4 34.5 33.8 24.4 382 1159 B H H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.846 111.3 50.0 -62.0 -36.7 32.1 31.2 25.7 383 1160 B L H X S+ 0 0 2 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.888 108.8 52.1 -70.6 -38.6 33.3 31.9 29.3 384 1161 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.923 109.5 49.5 -63.8 -43.3 32.9 35.6 28.9 385 1162 B E H X S+ 0 0 9 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.938 110.8 49.9 -61.1 -46.2 29.3 35.2 27.7 386 1163 B A H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.886 108.8 52.6 -59.4 -41.6 28.4 32.9 30.6 387 1164 B I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.961 109.2 48.0 -60.8 -50.9 29.9 35.4 33.2 388 1165 B L H X S+ 0 0 20 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.859 110.8 52.6 -59.3 -34.8 27.9 38.3 31.9 389 1166 B M H < S+ 0 0 27 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.865 110.4 47.3 -69.2 -34.7 24.7 36.2 31.9 390 1167 B V H >X S+ 0 0 2 -4,-2.0 4,-1.9 -3,-0.3 3,-1.1 0.872 109.6 53.6 -72.7 -37.1 25.4 35.2 35.5 391 1168 B E H 3< S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 97.2 65.1 -70.3 -21.4 26.0 38.9 36.4 392 1169 B E T 3< S+ 0 0 67 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.708 112.9 35.6 -71.3 -18.0 22.7 39.9 34.9 393 1170 B K T <4 S+ 0 0 55 -3,-1.1 2,-0.3 -4,-0.3 -2,-0.2 0.692 138.0 16.7-102.3 -29.4 21.2 37.7 37.7 394 1171 B K >< - 0 0 73 -4,-1.9 3,-2.0 -5,-0.1 -1,-0.3 -0.794 65.7-160.6-148.6 98.6 23.7 38.6 40.4 395 1172 B S T 3 S+ 0 0 105 1,-0.3 3,-0.3 -2,-0.3 -4,-0.1 0.677 93.3 45.7 -55.1 -21.9 25.9 41.7 39.8 396 1173 B D T > S+ 0 0 78 1,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.026 71.7 120.7-112.8 28.8 28.5 40.5 42.3 397 1174 B A T < S+ 0 0 2 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.829 71.3 59.8 -59.9 -32.6 28.8 36.9 41.2 398 1175 B L T > S+ 0 0 5 -3,-0.3 3,-1.8 -4,-0.2 2,-0.5 0.385 74.1 124.0 -79.4 6.6 32.5 37.3 40.5 399 1176 B S T < S+ 0 0 76 -3,-1.9 -3,-0.1 1,-0.3 0, 0.0 -0.557 75.5 26.5 -69.8 117.5 33.2 38.3 44.1 400 1177 B G T 3 S+ 0 0 63 -2,-0.5 -1,-0.3 0, 0.0 -2,-0.1 0.470 103.6 87.0 108.1 5.0 35.8 35.9 45.3 401 1178 B F <> + 0 0 28 -3,-1.8 4,-1.8 1,-0.1 5,-0.1 -0.673 44.0 166.9-137.0 78.0 37.3 35.2 41.9 402 1179 B P H > S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.831 77.1 53.7 -61.4 -37.7 40.0 37.9 41.2 403 1180 B L H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.889 110.3 46.7 -67.8 -38.3 41.5 36.0 38.2 404 1181 B L H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.860 109.7 54.7 -70.0 -36.0 38.1 35.7 36.5 405 1182 B Q H X S+ 0 0 74 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.887 111.8 43.4 -64.6 -38.7 37.4 39.4 37.2 406 1183 B A H X S+ 0 0 38 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.898 112.8 54.2 -71.5 -39.5 40.7 40.3 35.5 407 1184 B F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.4 0.956 105.5 52.8 -55.6 -53.6 39.8 37.8 32.8 408 1185 B K H X S+ 0 0 62 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.908 111.7 45.3 -49.5 -50.3 36.5 39.6 32.2 409 1186 B K H X S+ 0 0 138 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.970 113.8 48.5 -60.3 -54.7 38.1 42.9 31.8 410 1187 B R H >X S+ 0 0 74 -4,-2.8 3,-0.9 1,-0.2 4,-0.6 0.931 114.1 43.6 -52.4 -55.7 40.9 41.6 29.5 411 1188 B I H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.877 109.8 57.5 -60.2 -39.4 38.6 39.7 27.1 412 1189 B S H 3< S+ 0 0 24 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.775 100.4 60.2 -62.0 -26.1 36.1 42.5 27.0 413 1190 B S H << S+ 0 0 73 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.690 73.4 113.6 -76.6 -21.8 38.8 44.8 25.7 414 1191 B I S XX S- 0 0 36 -3,-1.1 4,-3.5 -4,-0.6 3,-0.8 -0.355 76.1-123.7 -55.6 122.9 39.5 42.8 22.6 415 1192 B P H 3> S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.806 106.9 45.3 -34.4 -57.7 38.5 45.1 19.6 416 1193 B T H 3> S+ 0 0 45 -168,-0.2 4,-1.3 1,-0.2 -167,-0.1 0.884 119.7 41.6 -62.0 -39.1 36.0 42.7 18.0 417 1194 B I H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 5,-0.2 0.913 110.5 55.3 -75.1 -44.2 34.4 41.8 21.4 418 1195 B K H X S+ 0 0 127 -4,-3.5 4,-1.1 1,-0.2 -2,-0.2 0.891 108.7 51.4 -54.7 -38.5 34.4 45.4 22.7 419 1196 B K H < S+ 0 0 161 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.878 108.6 49.4 -66.6 -39.1 32.5 46.3 19.6 420 1197 B F H < S+ 0 0 10 -4,-1.3 7,-0.4 1,-0.2 -2,-0.2 0.838 112.2 48.8 -69.4 -32.8 29.9 43.5 20.1 421 1198 B L H < S+ 0 0 53 -4,-2.4 -1,-0.2 -9,-0.2 -2,-0.2 0.695 98.5 88.0 -79.4 -19.2 29.4 44.7 23.8 422 1199 B A S >< S- 0 0 41 -4,-1.1 3,-0.9 -5,-0.2 5,-0.2 -0.312 94.3 -81.6 -76.7 162.1 29.0 48.3 22.6 423 1200 B P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.183 111.7 36.3 -62.2 155.7 25.7 49.8 21.7 424 1201 B G T 3 S+ 0 0 88 1,-0.2 2,-0.1 3,-0.1 -3,-0.1 0.559 87.0 125.7 80.2 5.9 24.4 49.2 18.2 425 1202 B S S < S- 0 0 40 -3,-0.9 -1,-0.2 -5,-0.2 -5,-0.1 -0.292 74.9-109.5 -87.4 179.8 25.7 45.7 17.9 426 1203 B K S S+ 0 0 85 -183,-0.1 2,-0.1 -3,-0.1 -1,-0.1 0.311 73.9 130.4 -93.1 11.7 23.6 42.6 17.1 427 1204 B R - 0 0 67 -7,-0.4 -3,-0.1 -5,-0.2 -2,-0.1 -0.405 56.4-128.9 -64.1 134.9 23.9 41.3 20.6 428 1205 B K - 0 0 19 -2,-0.1 3,-0.1 -193,-0.1 2,-0.1 -0.574 14.2-127.5 -90.2 151.2 20.5 40.4 22.0 429 1206 B P - 0 0 91 0, 0.0 -193,-0.5 0, 0.0 3,-0.1 -0.363 49.6 -61.8 -86.2 172.3 19.0 41.6 25.3 430 1207 B I - 0 0 85 1,-0.1 2,-0.1 -2,-0.1 -41,-0.0 -0.238 68.9-100.2 -51.2 138.7 17.6 39.4 28.1 431 1208 B S - 0 0 24 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.394 45.2-169.5 -67.3 141.3 14.5 37.6 26.7 432 1209 B D > - 0 0 93 -3,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.480 41.3 -81.3-118.6-170.5 11.1 39.0 27.5 433 1210 B D H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.814 124.7 60.4 -65.4 -31.7 7.4 38.0 27.2 434 1211 B K H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 107.1 46.8 -64.8 -34.4 7.3 39.0 23.6 435 1212 B Y H > S+ 0 0 12 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.954 111.2 50.8 -69.5 -50.3 10.0 36.5 22.9 436 1213 B V H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.843 113.2 46.4 -55.1 -39.3 8.3 33.8 24.9 437 1214 B E H X S+ 0 0 91 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.935 110.2 51.0 -72.4 -46.6 5.0 34.4 23.0 438 1215 B T H X S+ 0 0 16 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.872 112.3 47.8 -57.7 -40.5 6.5 34.5 19.5 439 1216 B V H X>S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 5,-0.5 0.925 110.8 51.5 -67.3 -44.0 8.3 31.2 20.1 440 1217 B R H X5S+ 0 0 50 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.799 113.1 45.4 -62.8 -31.2 5.2 29.6 21.5 441 1218 B R H <5S+ 0 0 104 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.937 115.3 43.5 -77.9 -50.5 3.2 30.6 18.4 442 1219 B V H <5S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.869 130.9 24.0 -63.7 -40.5 5.6 29.6 15.7 443 1220 B L H <5S- 0 0 25 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.695 89.2-141.5-100.5 -23.2 6.5 26.3 17.3 444 1221 B R << + 0 0 136 -4,-0.9 2,-0.2 -5,-0.5 -4,-0.2 0.933 66.3 99.9 59.5 47.6 3.4 25.6 19.4 445 1222 B M + 0 0 86 -6,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.813 45.2 55.4-145.0-176.1 5.6 24.1 22.2 446 1223 B Y + 0 0 106 -2,-0.2 3,-0.5 2,-0.1 -1,-0.1 0.843 59.3 141.4 52.1 37.6 7.0 25.0 25.5 447 1224 B Y S S+ 0 0 138 1,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.728 77.6 28.4 -78.4 -22.0 3.6 26.0 26.8 448 1225 B D S S+ 0 0 139 2,-0.0 2,-0.6 -113,-0.0 -1,-0.3 -0.601 76.9 178.9-141.2 76.2 4.4 24.5 30.2 449 1226 B V - 0 0 32 -3,-0.5 -113,-0.3 -115,-0.4 0, 0.0 -0.691 14.6-153.5 -83.8 120.0 8.2 24.6 30.9 450 1227 B K 0 0 145 -2,-0.6 -115,-0.1 -115,-0.1 -119,-0.0 -0.765 360.0 360.0 -95.3 137.2 9.1 23.2 34.3 451 1228 B P 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.113 360.0 360.0 -70.2 360.0 12.2 24.4 36.1