==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUL-03 1OKT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR K.FRITZ-WOLF,A.BECKER,S.RAHLFS,P.HARWALDT,R.H.SCHIRMER, . 422 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.7 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 0.5 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 0 0 2 2 6 0 0 2 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 231 0, 0.0 2,-0.2 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -97.0 63.2 37.8 29.7 2 2 A G + 0 0 68 2,-0.0 3,-0.1 62,-0.0 63,-0.1 -0.344 360.0 177.5-106.7 50.6 64.1 40.9 27.8 3 3 A D - 0 0 79 -2,-0.2 2,-0.5 1,-0.1 61,-0.0 0.090 36.1 -99.1 -50.7 162.2 65.3 39.0 24.7 4 4 A N - 0 0 111 26,-0.0 61,-2.3 2,-0.0 2,-0.5 -0.770 38.7-147.8 -88.8 126.3 66.5 40.7 21.5 5 5 A I E +A 64 0A 18 -2,-0.5 26,-3.2 24,-0.3 2,-0.4 -0.842 19.5 175.2-103.1 129.6 63.8 40.8 18.8 6 6 A V E -Ab 63 31A 18 57,-2.6 57,-3.1 -2,-0.5 2,-0.5 -0.996 14.2-159.2-134.3 130.0 64.5 40.6 15.1 7 7 A L E -Ab 62 32A 0 24,-3.1 26,-1.8 -2,-0.4 2,-0.5 -0.926 11.0-160.0-107.3 128.5 61.9 40.5 12.3 8 8 A Y E +Ab 61 33A 39 53,-3.0 53,-1.8 -2,-0.5 2,-0.3 -0.940 32.5 119.4-112.8 131.8 63.2 39.1 9.0 9 9 A Y E - b 0 34A 2 24,-1.6 26,-2.1 -2,-0.5 5,-0.0 -0.961 61.9 -69.5-170.5 176.1 61.3 39.8 5.8 10 10 A F E - b 0 35A 17 -2,-0.3 2,-2.3 24,-0.3 26,-0.1 -0.268 60.3 -90.9 -74.4 168.9 61.7 41.4 2.4 11 11 A D S S+ 0 0 52 24,-1.0 2,-0.3 23,-0.1 200,-0.2 -0.489 99.5 79.8 -80.6 70.2 62.0 45.2 2.0 12 12 A A S S- 0 0 7 -2,-2.3 4,-0.1 1,-0.2 196,-0.0 -0.969 84.3-112.7-163.7 169.2 58.2 45.6 1.6 13 13 A R S >> S+ 0 0 28 198,-2.2 4,-1.7 -2,-0.3 3,-1.6 0.980 70.1 121.7 -75.6 -60.1 55.0 45.7 3.6 14 14 A G T 34 S- 0 0 4 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.024 90.2 -18.7 37.9-129.2 53.5 42.5 2.4 15 15 A K T 34 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.450 134.4 61.6 -86.7 -3.6 52.7 39.9 5.1 16 16 A A T X> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.1 3,-0.5 0.665 78.2 83.5 -97.3 -17.2 54.9 41.5 7.7 17 17 A E H 3X S+ 0 0 1 -4,-1.7 4,-2.7 -3,-0.3 5,-0.2 0.847 86.3 56.1 -57.7 -37.6 53.4 45.0 8.1 18 18 A L H 3> S+ 0 0 14 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 108.9 48.4 -62.1 -39.0 50.7 43.8 10.5 19 19 A I H <> S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.3 -2,-0.2 0.928 111.4 49.4 -65.9 -43.8 53.4 42.5 12.8 20 20 A R H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.901 109.9 52.0 -62.3 -38.0 55.3 45.8 12.5 21 21 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.867 107.4 52.6 -65.5 -37.0 52.1 47.7 13.3 22 22 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 6,-0.2 0.921 111.1 46.3 -64.3 -44.6 51.6 45.6 16.4 23 23 A F H X>S+ 0 0 2 -4,-2.2 5,-1.7 2,-0.2 4,-1.2 0.951 112.9 50.1 -62.6 -48.0 55.2 46.4 17.5 24 24 A A H ><5S+ 0 0 18 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.923 112.5 47.2 -56.0 -47.4 54.6 50.1 16.8 25 25 A Y H 3<5S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.941 115.4 44.5 -60.2 -48.7 51.4 50.2 18.7 26 26 A L H 3<5S- 0 0 45 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.555 106.9-126.2 -73.7 -9.7 52.9 48.3 21.7 27 27 A G T <<5 + 0 0 46 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.722 51.9 162.4 70.0 21.8 56.0 50.5 21.6 28 28 A I < - 0 0 32 -5,-1.7 2,-0.3 -6,-0.2 -1,-0.2 -0.565 36.6-127.5 -81.7 135.4 58.2 47.4 21.5 29 29 A E + 0 0 162 -2,-0.3 -24,-0.3 2,-0.0 2,-0.3 -0.628 43.3 145.0 -82.7 133.4 61.8 47.7 20.4 30 30 A Y - 0 0 53 -2,-0.3 2,-0.7 -26,-0.1 -24,-0.2 -0.988 50.5-102.7-161.2 162.3 63.0 45.3 17.6 31 31 A T E -b 6 0A 72 -26,-3.2 -24,-3.1 -2,-0.3 2,-1.3 -0.849 25.5-153.9 -96.1 119.2 65.3 45.0 14.6 32 32 A D E -b 7 0A 49 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.1 -0.685 18.9-170.1 -93.4 81.0 63.4 45.3 11.4 33 33 A K E -b 8 0A 73 -26,-1.8 -24,-1.6 -2,-1.3 2,-0.4 -0.635 2.6-171.0 -79.6 121.5 65.7 43.3 9.1 34 34 A R E > -b 9 0A 24 -2,-0.5 3,-0.7 -26,-0.2 -24,-0.3 -0.941 17.8-129.5-119.9 134.7 64.9 43.6 5.4 35 35 A F E 3 S+b 10 0A 2 -26,-2.1 -24,-1.0 -2,-0.4 6,-0.2 -0.456 86.5 17.0 -76.2 148.1 66.3 41.6 2.5 36 36 A G T 3 + 0 0 19 4,-0.4 5,-0.3 5,-0.2 -1,-0.2 0.754 68.6 142.2 65.0 28.3 67.6 43.4 -0.6 37 37 A V S < S- 0 0 79 -3,-0.7 -2,-0.1 3,-0.1 -1,-0.1 0.921 95.0 -3.9 -63.9 -41.0 68.0 46.9 0.9 38 38 A N S S+ 0 0 165 2,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.694 135.8 34.5-118.8 -40.5 71.2 47.3 -1.2 39 39 A G S S- 0 0 54 1,-0.1 2,-0.6 2,-0.0 3,-0.0 -0.048 107.3 -44.3-101.0-155.5 71.8 44.0 -2.9 40 40 A D > - 0 0 68 1,-0.2 4,-1.9 -2,-0.0 -4,-0.4 -0.662 44.4-153.0 -78.7 118.5 69.7 41.2 -4.4 41 41 A A H > S+ 0 0 23 -2,-0.6 4,-1.8 -5,-0.3 -1,-0.2 0.831 92.9 50.3 -61.1 -34.5 66.9 40.4 -2.1 42 42 A F H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.818 107.2 51.0 -78.0 -30.1 66.7 36.8 -3.3 43 43 A V H > S+ 0 0 77 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.925 114.1 47.1 -68.8 -41.9 70.3 36.0 -3.0 44 44 A E H X S+ 0 0 57 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.869 111.9 49.4 -66.3 -36.5 70.0 37.3 0.6 45 45 A F H X S+ 0 0 12 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 110.0 51.6 -69.2 -39.3 66.8 35.3 1.1 46 46 A K H X S+ 0 0 108 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.941 113.5 44.3 -61.1 -45.9 68.6 32.2 -0.2 47 47 A N H X S+ 0 0 72 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.857 108.8 58.0 -66.9 -35.4 71.5 32.8 2.2 48 48 A F H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.934 106.8 47.6 -59.8 -46.3 69.0 33.6 5.1 49 49 A K H < S+ 0 0 45 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.791 111.3 51.2 -66.2 -28.9 67.4 30.1 4.7 50 50 A K H < S+ 0 0 176 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 117.3 39.4 -76.6 -31.8 70.8 28.5 4.6 51 51 A E H < S+ 0 0 151 -4,-2.0 2,-0.4 -5,-0.1 -2,-0.2 0.743 115.4 51.5 -89.9 -27.2 71.9 30.3 7.8 52 52 A K S < S- 0 0 43 -4,-2.6 2,-1.3 -5,-0.2 -1,-0.1 -0.931 80.3-123.9-119.3 139.9 68.7 30.1 9.8 53 53 A D + 0 0 140 -2,-0.4 -3,-0.1 -3,-0.0 -4,-0.1 -0.629 37.1 176.9 -81.9 92.3 66.5 27.1 10.6 54 54 A T - 0 0 16 -2,-1.3 5,-0.1 -5,-0.3 7,-0.0 -0.719 30.0-138.3 -96.3 146.9 63.0 27.9 9.3 55 55 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.811 98.7 12.1 -72.8 -31.7 60.1 25.4 9.4 56 56 A F S S- 0 0 122 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.147 101.3-109.4-132.2 17.0 58.7 26.1 5.9 57 57 A E S S+ 0 0 131 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.861 81.2 118.9 55.9 38.2 61.3 28.2 4.2 58 58 A Q - 0 0 62 2,-0.1 -2,-0.2 -9,-0.0 -1,-0.2 -0.896 51.8-110.1-131.0 160.4 59.1 31.2 4.4 59 59 A V S S+ 0 0 9 -2,-0.3 2,-0.2 -3,-0.1 -50,-0.1 -0.856 76.4 80.2-125.0 163.3 59.2 34.7 5.9 60 60 A P + 0 0 2 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.377 61.8 178.2 -62.6 152.1 58.3 36.6 7.9 61 61 A I E -AC 8 70A 0 -53,-1.8 -53,-3.0 -2,-0.2 2,-0.5 -0.998 12.4-161.3-128.2 129.6 60.4 35.1 10.6 62 62 A L E -AC 7 69A 0 7,-2.6 7,-2.9 -2,-0.4 2,-0.5 -0.966 5.2-166.0-115.3 124.8 60.4 36.6 14.1 63 63 A Q E -AC 6 68A 31 -57,-3.1 -57,-2.6 -2,-0.5 2,-0.5 -0.953 9.0-178.2-115.1 127.4 63.3 35.7 16.3 64 64 A I E > S-AC 5 67A 26 3,-2.2 3,-2.2 -2,-0.5 2,-0.4 -0.965 72.4 -43.6-122.3 107.0 63.2 36.5 20.1 65 65 A G T 3 S- 0 0 18 -61,-2.3 -59,-0.1 -2,-0.5 -2,-0.0 -0.582 124.7 -28.1 70.1-123.8 66.4 35.5 21.7 66 66 A D T 3 S+ 0 0 156 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.415 113.9 113.5-101.8 -1.0 67.2 32.1 20.1 67 67 A L E < -C 64 0A 86 -3,-2.2 -3,-2.2 1,-0.0 2,-0.6 -0.597 53.5-157.1 -76.7 123.3 63.5 31.4 19.6 68 68 A I E -C 63 0A 51 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.902 10.5-173.4-105.7 121.3 62.5 31.2 15.9 69 69 A L E +C 62 0A 32 -7,-2.9 -7,-2.6 -2,-0.6 2,-0.2 -0.927 4.5 179.5-116.2 138.4 58.9 31.9 15.1 70 70 A A E +C 61 0A 19 -2,-0.4 -9,-0.1 -9,-0.2 -11,-0.1 -0.780 40.8 64.5-129.4 174.5 57.3 31.5 11.6 71 71 A Q > - 0 0 62 -11,-0.6 4,-2.4 -2,-0.2 3,-0.4 0.898 66.5-129.6 72.9 100.3 53.8 31.9 10.0 72 72 A S H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.836 104.4 50.0 -44.9 -47.1 52.6 35.4 10.0 73 73 A Q H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 111.9 47.1 -63.7 -42.4 49.1 34.6 11.4 74 74 A A H > S+ 0 0 48 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.880 111.7 51.9 -66.6 -36.7 50.5 32.5 14.3 75 75 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.924 108.4 51.1 -64.3 -45.0 53.0 35.2 15.1 76 76 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 112.5 45.4 -59.1 -45.3 50.3 37.8 15.2 77 77 A R H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.843 111.7 53.7 -68.4 -32.3 48.2 35.7 17.6 78 78 A Y H X S+ 0 0 90 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 113.4 40.7 -66.8 -47.7 51.3 34.9 19.7 79 79 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 114.3 53.4 -66.9 -42.3 52.2 38.6 20.2 80 80 A S H <>S+ 0 0 0 -4,-2.3 5,-2.7 -5,-0.3 6,-0.4 0.873 111.5 44.3 -62.4 -39.1 48.6 39.6 20.7 81 81 A K H ><5S+ 0 0 139 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.875 115.1 49.8 -72.7 -37.2 48.0 37.1 23.5 82 82 A K H 3<5S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.795 119.3 35.8 -71.5 -30.8 51.3 37.9 25.1 83 83 A Y T 3<5S- 0 0 88 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.057 113.5-108.4-114.3 25.9 50.7 41.7 25.1 84 84 A N T < 5S+ 0 0 132 -3,-0.7 -3,-0.2 1,-0.1 -4,-0.1 0.883 82.3 115.7 50.7 58.1 47.0 41.8 25.7 85 85 A I < + 0 0 7 -5,-2.7 75,-2.5 2,-0.1 76,-0.3 -0.135 55.3 83.6-138.2 37.1 45.4 42.8 22.5 86 86 A C S S- 0 0 13 -6,-0.4 10,-0.3 1,-0.2 11,-0.2 0.393 101.6 -77.5-121.4 0.1 43.5 39.6 21.8 87 87 A G - 0 0 19 71,-0.2 -1,-0.2 -7,-0.2 -2,-0.1 -0.044 28.7-114.6 112.3 144.0 40.3 40.0 23.8 88 88 A E S S+ 0 0 141 -2,-0.1 2,-0.3 69,-0.1 -1,-0.1 0.175 92.4 43.1-100.9 18.1 39.4 39.6 27.5 89 89 A S S > S- 0 0 49 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.965 86.3-108.7-152.4 161.7 37.1 36.6 27.2 90 90 A E H > S+ 0 0 181 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.931 121.4 48.3 -59.2 -44.6 37.1 33.3 25.4 91 91 A L H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 112.7 46.1 -61.7 -48.0 34.3 34.6 23.2 92 92 A N H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.847 108.1 56.1 -66.9 -33.1 36.0 37.9 22.4 93 93 A E H X S+ 0 0 82 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.937 110.2 48.0 -62.6 -41.6 39.3 36.1 21.7 94 94 A F H X S+ 0 0 106 -4,-2.0 4,-3.3 -5,-0.2 -2,-0.2 0.936 109.6 51.3 -62.3 -48.0 37.3 34.1 19.2 95 95 A Y H X S+ 0 0 98 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.914 109.5 49.1 -58.8 -42.5 35.6 37.2 17.7 96 96 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -10,-0.3 -1,-0.2 0.909 114.5 47.9 -62.0 -38.8 39.0 39.0 17.2 97 97 A D H X S+ 0 0 54 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.934 109.7 50.7 -64.2 -51.3 40.2 35.7 15.5 98 98 A M H X S+ 0 0 71 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.908 110.9 49.8 -55.7 -43.8 37.1 35.4 13.3 99 99 A I H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.915 109.6 50.3 -64.3 -42.3 37.6 39.0 12.1 100 100 A F H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 108.6 53.1 -63.7 -39.8 41.3 38.4 11.3 101 101 A C H X S+ 0 0 66 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.907 108.9 50.1 -61.3 -39.7 40.4 35.3 9.3 102 102 A G H X S+ 0 0 16 -4,-2.1 4,-1.8 1,-0.2 5,-0.2 0.932 108.0 53.0 -62.6 -44.8 37.9 37.4 7.4 103 103 A V H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.906 104.3 55.8 -56.3 -44.1 40.6 40.0 6.7 104 104 A Q H X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.891 105.0 54.3 -57.5 -40.5 43.0 37.4 5.3 105 105 A D H X S+ 0 0 72 -4,-1.5 4,-1.9 -3,-0.2 -2,-0.2 0.968 116.2 34.5 -59.0 -55.9 40.3 36.3 2.8 106 106 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.845 115.5 55.9 -73.6 -29.7 39.8 39.8 1.3 107 107 A H H X S+ 0 0 12 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.917 109.0 48.5 -67.6 -39.2 43.4 40.8 1.7 108 108 A Y H < S+ 0 0 110 -4,-2.4 4,-0.3 -5,-0.3 -2,-0.2 0.920 109.9 51.9 -64.5 -43.4 44.4 37.8 -0.3 109 109 A K H >< S+ 0 0 73 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.930 108.6 51.2 -58.0 -46.6 41.8 38.6 -3.0 110 110 A F H >< S+ 0 0 10 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.926 109.8 49.2 -56.1 -47.0 43.2 42.2 -3.2 111 111 A N T 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.419 108.5 54.5 -75.3 3.6 46.7 40.9 -3.7 112 112 A N T < S+ 0 0 39 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.3 0.181 91.4 96.9-116.4 9.6 45.4 38.5 -6.4 113 113 A T < + 0 0 10 -3,-1.6 2,-0.3 -5,-0.1 3,-0.1 -0.856 46.2 138.0-106.0 133.3 43.8 41.4 -8.3 114 114 A N >> - 0 0 14 -2,-0.4 5,-1.2 1,-0.1 4,-0.6 -0.984 59.9-102.9-167.6 161.9 45.5 43.0 -11.3 115 115 A L T >45S+ 0 0 15 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.906 115.2 56.6 -53.2 -50.4 45.2 44.5 -14.7 116 116 A F T 345S+ 0 0 18 1,-0.3 -1,-0.2 2,-0.1 208,-0.1 0.893 109.4 46.9 -52.1 -43.8 46.8 41.5 -16.5 117 117 A K T 345S- 0 0 33 -3,-0.3 -1,-0.3 206,-0.2 -2,-0.2 0.507 102.0-135.4 -77.7 -6.6 44.2 39.2 -14.9 118 118 A Q T <<5S+ 0 0 63 -3,-1.8 4,-0.2 -4,-0.6 -3,-0.2 0.814 72.5 115.0 56.5 33.8 41.3 41.5 -15.8 119 119 A N >< + 0 0 35 -5,-1.2 4,-1.9 2,-0.1 -4,-0.1 0.184 38.8 98.1-117.7 17.1 39.7 41.1 -12.4 120 120 A E H > S+ 0 0 22 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.924 83.6 48.7 -68.5 -48.2 40.1 44.7 -11.1 121 121 A T H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.894 111.4 51.4 -59.6 -41.9 36.5 45.7 -11.9 122 122 A T H >>S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-1.4 0.938 111.5 46.4 -60.5 -49.2 35.2 42.6 -10.2 123 123 A F H <>S+ 0 0 1 -4,-1.9 5,-2.9 3,-0.2 -2,-0.2 0.940 116.4 45.3 -59.0 -48.0 37.2 43.3 -7.1 124 124 A L H <5S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 124.5 29.3 -66.9 -37.2 36.2 47.0 -7.0 125 125 A N H <5S+ 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.647 134.5 18.5-101.9 -16.5 32.5 46.6 -7.7 126 126 A E T X5S+ 0 0 120 -4,-2.5 4,-1.7 -5,-0.3 -3,-0.2 0.731 123.7 35.3-115.2 -68.7 31.7 43.2 -6.2 127 127 A D H > S+ 0 0 50 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.916 112.3 50.4 -60.7 -38.6 32.0 46.5 -1.4 130 130 A K H X S+ 0 0 103 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.962 114.2 42.0 -63.1 -52.2 30.7 43.2 -0.1 131 131 A W H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.847 109.9 56.9 -66.3 -34.3 33.5 42.7 2.5 132 132 A S H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.921 107.2 51.3 -61.8 -38.9 33.4 46.4 3.5 133 133 A G H X S+ 0 0 28 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.858 106.1 54.0 -65.1 -35.7 29.8 45.8 4.3 134 134 A Y H X S+ 0 0 108 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.950 113.6 42.0 -62.5 -46.5 30.6 42.7 6.4 135 135 A F H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.882 111.0 55.2 -68.4 -39.6 33.1 44.8 8.4 136 136 A E H X S+ 0 0 27 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 46.0 -58.1 -46.1 30.8 47.8 8.7 137 137 A K H X S+ 0 0 130 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.852 111.5 50.9 -66.1 -37.4 28.1 45.5 10.2 138 138 A L H X S+ 0 0 48 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.892 111.3 48.0 -68.3 -38.6 30.5 43.8 12.6 139 139 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 109.9 53.6 -67.5 -38.9 31.7 47.2 13.8 140 140 A K H >< S+ 0 0 128 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.878 103.7 56.4 -62.6 -38.7 28.1 48.3 14.2 141 141 A K H 3< S+ 0 0 155 -4,-1.9 2,-1.0 1,-0.3 -1,-0.2 0.873 105.6 51.2 -61.5 -39.4 27.3 45.2 16.3 142 142 A N T 3< S+ 0 0 34 -4,-1.4 10,-0.4 1,-0.2 3,-0.3 -0.498 75.5 128.1 -96.7 62.5 30.1 46.2 18.8 143 143 A H < + 0 0 49 -2,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.041 38.1 90.8-109.2 27.1 28.8 49.8 19.2 144 144 A T S S+ 0 0 131 1,-0.2 -1,-0.2 11,-0.1 -2,-0.1 0.664 103.8 32.0 -89.4 -19.3 28.5 50.1 23.0 145 145 A N S S+ 0 0 38 -3,-0.3 -1,-0.2 10,-0.2 -2,-0.1 0.084 80.2 117.8-119.8 16.0 32.1 51.4 22.9 146 146 A N - 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0 0 64 -11,-0.7 4,-2.4 -2,-0.2 3,-0.4 0.867 66.4-129.1 76.2 102.8 40.3 39.5 -27.2 284 72 B S H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.816 105.1 50.1 -47.8 -43.4 44.0 40.3 -27.3 285 73 B Q H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 112.1 47.3 -66.0 -42.9 45.0 36.9 -28.7 286 74 B A H > S+ 0 0 46 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.877 112.1 51.1 -64.2 -38.9 42.5 37.0 -31.5 287 75 B I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.914 109.4 50.4 -64.4 -45.0 43.5 40.6 -32.3 288 76 B V H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.927 113.6 44.1 -59.5 -48.4 47.2 39.6 -32.4 289 77 B R H X S+ 0 0 85 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.879 112.8 53.5 -65.7 -36.5 46.5 36.7 -34.8 290 78 B Y H X S+ 0 0 93 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.945 113.4 40.9 -62.8 -50.4 44.2 38.8 -36.9 291 79 B L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.890 116.1 50.8 -65.1 -41.1 46.8 41.6 -37.4 292 80 B S H <>S+ 0 0 0 -4,-2.4 5,-2.9 -5,-0.2 6,-0.3 0.906 111.4 46.6 -64.5 -44.7 49.6 39.1 -37.9 293 81 B K H ><5S+ 0 0 120 -4,-2.6 3,-1.0 3,-0.2 -1,-0.2 0.903 115.1 47.1 -64.4 -42.8 47.8 37.1 -40.5 294 82 B K H 3<5S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 117.3 41.6 -67.5 -41.3 46.7 40.2 -42.4 295 83 B Y T 3<5S- 0 0 76 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.044 113.9-116.5 -97.4 26.7 50.2 41.7 -42.3 296 84 B N T < 5S+ 0 0 137 -3,-1.0 -3,-0.2 1,-0.1 3,-0.2 0.769 78.3 121.4 44.1 47.0 51.9 38.4 -43.1 297 85 B I < + 0 0 11 -5,-2.9 75,-2.2 -6,-0.1 76,-0.3 -0.217 52.0 83.5-124.1 41.9 53.9 37.9 -39.9 298 86 B C S S- 0 0 8 1,-0.3 10,-0.3 -6,-0.3 11,-0.2 0.293 103.8 -72.9-126.3 8.0 52.4 34.5 -39.0 299 87 B G - 0 0 19 71,-0.2 -1,-0.3 -3,-0.2 6,-0.1 -0.098 32.2-116.3 110.8 148.4 54.3 32.0 -41.0 300 88 B E S S+ 0 0 164 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.174 91.4 48.3-107.4 17.4 54.2 31.1 -44.7 301 89 B S S > S- 0 0 49 -3,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.976 87.6-109.8-150.0 156.0 52.9 27.5 -44.4 302 90 B E H > S+ 0 0 186 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.872 122.1 48.0 -55.5 -37.1 50.1 25.8 -42.6 303 91 B L H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 111.7 46.9 -71.4 -43.5 52.6 24.2 -40.4 304 92 B N H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.824 107.7 56.5 -68.6 -31.2 54.6 27.4 -39.6 305 93 B E H X S+ 0 0 74 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.876 109.9 48.3 -65.6 -34.3 51.4 29.2 -38.9 306 94 B F H X S+ 0 0 108 -4,-1.1 4,-3.3 -5,-0.3 -2,-0.2 0.915 108.7 51.8 -69.8 -46.4 50.8 26.5 -36.4 307 95 B Y H X S+ 0 0 95 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.904 109.5 48.4 -59.2 -44.2 54.2 26.7 -34.8 308 96 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 -10,-0.3 -1,-0.2 0.887 114.8 47.9 -63.3 -36.7 54.0 30.5 -34.3 309 97 B D H X S+ 0 0 50 -4,-1.3 4,-2.3 -5,-0.2 -2,-0.2 0.934 110.7 49.9 -67.2 -49.3 50.6 29.9 -32.7 310 98 B M H X S+ 0 0 76 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.871 111.1 49.8 -58.4 -40.5 51.8 27.1 -30.5 311 99 B I H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.899 109.6 50.9 -67.0 -40.6 54.7 29.2 -29.3 312 100 B F H X S+ 0 0 13 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.887 107.0 54.0 -64.3 -38.7 52.4 32.1 -28.5 313 101 B C H X S+ 0 0 55 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.885 109.4 49.1 -62.1 -37.5 50.2 29.8 -26.5 314 102 B G H X S+ 0 0 9 -4,-1.6 4,-1.8 2,-0.2 5,-0.3 0.908 108.1 53.1 -67.1 -43.5 53.2 28.8 -24.5 315 103 B V H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.940 105.2 55.1 -56.1 -48.1 54.1 32.4 -24.0 316 104 B Q H X S+ 0 0 56 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.859 105.7 54.4 -53.2 -39.2 50.6 33.1 -22.6 317 105 B D H X S+ 0 0 83 -4,-1.3 4,-1.9 -3,-0.2 -1,-0.2 0.962 115.2 34.2 -61.5 -57.2 51.1 30.3 -20.0 318 106 B I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.800 115.4 58.0 -72.5 -27.6 54.3 31.5 -18.5 319 107 B H H X S+ 0 0 12 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.907 107.3 48.1 -68.7 -38.7 53.4 35.2 -18.9 320 108 B Y H X S+ 0 0 114 -4,-2.0 4,-0.8 -5,-0.3 -2,-0.2 0.930 109.3 53.3 -64.8 -44.6 50.2 34.5 -16.9 321 109 B K H >< S+ 0 0 84 -4,-1.9 3,-1.1 1,-0.2 4,-0.2 0.932 108.4 50.3 -55.6 -47.3 52.3 32.7 -14.2 322 110 B F H >< S+ 0 0 9 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.943 110.0 49.3 -56.7 -49.5 54.6 35.8 -14.0 323 111 B N H 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.585 108.8 54.1 -69.2 -6.4 51.7 38.1 -13.5 324 112 B N T << S+ 0 0 38 -3,-1.1 2,-0.4 -4,-0.8 -1,-0.3 0.314 91.5 98.5-105.9 4.7 50.3 35.8 -10.8 325 113 B T < + 0 0 9 -3,-1.9 2,-0.3 -4,-0.2 3,-0.1 -0.783 45.6 139.3 -99.0 131.7 53.5 36.0 -8.9 326 114 B N >>> - 0 0 25 -2,-0.4 5,-1.0 1,-0.1 3,-0.7 -0.976 59.8-103.9-167.2 158.0 54.1 38.3 -5.9 327 115 B L G >45S+ 0 0 10 -2,-0.3 3,-1.7 1,-0.2 5,-0.1 0.895 115.3 57.0 -47.5 -52.4 55.5 38.7 -2.5 328 116 B F G 345S+ 0 0 20 1,-0.3 -1,-0.2 2,-0.1 -216,-0.1 0.857 108.5 46.6 -52.2 -39.9 52.1 38.5 -0.7 329 117 B K G <45S- 0 0 33 -3,-0.7 -1,-0.3 -218,-0.2 -2,-0.2 0.525 101.6-135.5 -82.3 -6.4 51.5 35.0 -2.3 330 118 B Q T <<5S+ 0 0 63 -3,-1.7 -3,-0.2 -4,-0.7 4,-0.2 0.796 72.0 115.9 57.7 32.0 55.0 33.8 -1.4 331 119 B N >< + 0 0 36 -5,-1.0 4,-1.8 1,-0.1 5,-0.1 0.199 37.3 101.3-114.8 17.5 55.4 32.2 -4.9 332 120 B E H > S+ 0 0 16 -6,-0.3 4,-2.7 1,-0.2 5,-0.2 0.934 81.2 48.0 -67.8 -47.2 58.3 34.4 -6.1 333 121 B T H > S+ 0 0 36 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.851 110.0 53.8 -64.3 -33.0 61.1 31.9 -5.5 334 122 B T H >>S+ 0 0 64 2,-0.2 4,-2.7 3,-0.2 5,-1.6 0.940 111.4 45.3 -65.2 -46.3 59.1 29.1 -7.2 335 123 B F H <>S+ 0 0 0 -4,-1.8 5,-3.0 3,-0.2 -2,-0.2 0.931 120.3 40.0 -60.9 -47.4 58.7 31.3 -10.3 336 124 B L H <5S+ 0 0 31 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.889 126.2 33.7 -71.4 -39.5 62.3 32.3 -10.3 337 125 B N H <5S+ 0 0 80 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.671 135.4 11.9 -91.9 -21.0 63.8 28.9 -9.3 338 126 B E T X5S+ 0 0 113 -4,-2.7 4,-1.8 -5,-0.3 -3,-0.2 0.691 124.1 39.2-118.5 -69.3 61.4 26.5 -11.0 339 127 B D H > S+ 0 0 49 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.900 112.8 51.6 -59.6 -38.3 64.2 28.5 -15.9 342 130 B K H X S+ 0 0 102 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.961 114.6 40.3 -61.9 -53.3 62.0 25.6 -17.2 343 131 B W H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.857 111.6 56.4 -66.0 -35.6 60.1 27.7 -19.7 344 132 B S H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.887 107.0 52.0 -62.7 -35.2 63.3 29.6 -20.7 345 133 B G H X S+ 0 0 26 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.893 106.4 52.6 -66.3 -39.8 64.7 26.1 -21.5 346 134 B Y H X S+ 0 0 115 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.938 113.7 42.7 -60.6 -47.3 61.7 25.3 -23.6 347 135 B F H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.823 111.7 54.3 -68.6 -34.0 62.1 28.5 -25.6 348 136 B E H X S+ 0 0 30 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.956 110.8 46.6 -64.1 -48.5 65.9 28.0 -25.8 349 137 B K H X S+ 0 0 114 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.809 111.1 51.8 -63.1 -33.0 65.4 24.5 -27.3 350 138 B L H X S+ 0 0 50 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.917 109.0 49.9 -70.6 -43.1 62.8 25.8 -29.7 351 139 B L H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.889 109.6 52.1 -60.8 -41.0 65.1 28.5 -31.0 352 140 B K H >< S+ 0 0 121 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.876 102.9 58.1 -64.8 -38.2 67.9 25.9 -31.4 353 141 B K H 3< S+ 0 0 143 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 94.7 65.8 -64.5 -24.3 65.6 23.7 -33.5 354 142 B N T << S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.6 10,-0.3 -0.113 112.4-119.0 -90.8 38.8 65.1 26.5 -36.0 355 143 B H < - 0 0 106 -3,-0.9 4,-0.4 -2,-0.2 3,-0.2 0.777 35.3-175.2 22.5 103.1 68.8 26.3 -36.9 356 144 B T S S+ 0 0 18 -4,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.661 71.8 79.8 -91.5 -19.6 70.5 29.6 -36.2 357 145 B N S > S+ 0 0 139 1,-0.2 3,-0.6 -5,-0.2 -1,-0.2 0.782 81.7 69.3 -58.5 -28.7 73.8 28.5 -37.6 358 146 B N T 3 S- 0 0 108 1,-0.3 2,-0.4 -3,-0.2 -1,-0.2 0.984 127.2 -2.8 -51.9 -74.7 72.4 29.3 -41.1 359 147 B N T > S- 0 0 81 -4,-0.4 3,-3.6 3,-0.2 -1,-0.3 -0.691 74.2-176.1-122.0 74.3 72.3 33.0 -40.8 360 148 B N T < S+ 0 0 83 -3,-0.6 -1,-0.1 -2,-0.4 -2,-0.1 0.791 78.4 70.2 -38.8 -40.9 73.4 33.6 -37.2 361 149 B D T 3 S+ 0 0 123 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.766 97.1 63.1 -52.0 -26.4 72.7 37.3 -37.5 362 150 B K < - 0 0 64 -3,-3.6 2,-0.5 -6,-0.2 -3,-0.2 -0.858 63.9-170.3-108.3 136.5 69.0 36.4 -37.6 363 151 B Y + 0 0 53 -2,-0.4 2,-0.4 38,-0.1 -7,-0.1 -0.948 18.7 157.1-127.5 110.3 67.1 34.7 -34.8 364 152 B Y - 0 0 37 -2,-0.5 3,-0.1 -10,-0.3 6,-0.1 -0.993 36.8-151.7-134.6 140.2 63.5 33.5 -35.5 365 153 B F S S+ 0 0 11 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.846 89.2 38.5 -76.1 -33.8 61.4 30.9 -33.8 366 154 B V S > S- 0 0 4 3,-0.3 3,-1.0 -58,-0.0 -1,-0.2 -0.966 116.5 -41.4-125.0 132.1 59.5 30.1 -37.0 367 155 B G T 3 S- 0 0 15 -2,-0.4 -3,-0.2 1,-0.2 4,-0.1 -0.111 93.0 -57.8 54.4-150.9 60.8 29.9 -40.6 368 156 B N T 3 S+ 0 0 100 2,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.011 114.5 67.3-116.3 26.0 63.3 32.5 -41.9 369 157 B N S < S- 0 0 91 -3,-1.0 -3,-0.3 -7,-0.0 2,-0.1 -0.979 90.4 -86.9-144.5 155.7 61.2 35.6 -41.2 370 158 B L - 0 0 8 -2,-0.3 2,-0.3 -6,-0.1 -71,-0.2 -0.375 42.9-176.3 -66.7 135.9 59.8 37.4 -38.1 371 159 B T >> - 0 0 4 -73,-0.1 3,-1.5 -2,-0.1 4,-1.1 -0.819 44.7-101.3-124.8 165.9 56.5 36.3 -36.7 372 160 B Y H 3> S+ 0 0 4 -75,-2.2 4,-2.4 -2,-0.3 5,-0.1 0.748 119.8 69.4 -59.8 -21.1 54.3 37.6 -33.9 373 161 B A H 3> S+ 0 0 0 -76,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.865 94.7 53.6 -65.0 -35.3 55.8 34.8 -31.9 374 162 B D H <> S+ 0 0 0 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.923 112.1 44.2 -64.6 -43.4 59.2 36.5 -31.9 375 163 B L H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.851 111.8 54.2 -69.0 -34.7 57.6 39.7 -30.6 376 164 B A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.928 109.4 45.7 -65.9 -46.0 55.6 37.7 -28.0 377 165 B V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.916 113.9 50.2 -63.9 -42.3 58.6 36.0 -26.5 378 166 B F H X S+ 0 0 11 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.962 111.0 48.0 -58.1 -53.5 60.5 39.3 -26.5 379 167 B N H X S+ 0 0 9 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.827 107.2 59.0 -56.9 -34.7 57.6 41.1 -24.7 380 168 B L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.966 113.0 35.3 -60.2 -55.7 57.4 38.2 -22.2 381 169 B Y H X S+ 0 0 3 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.807 113.8 58.8 -70.4 -29.7 61.0 38.6 -21.0 382 170 B D H X S+ 0 0 28 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.918 110.1 43.9 -64.2 -42.4 60.8 42.4 -21.3 383 171 B D H >< S+ 0 0 12 -4,-2.3 3,-0.8 -5,-0.2 4,-0.5 0.922 113.2 50.3 -67.8 -46.0 57.9 42.5 -18.9 384 172 B I H >X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 3,-2.0 0.933 105.1 58.2 -57.7 -47.2 59.5 40.0 -16.5 385 173 B E H 3< S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.729 92.4 68.5 -56.3 -26.1 62.7 42.0 -16.4 386 174 B T T << S+ 0 0 76 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.755 119.7 18.6 -66.9 -22.9 60.8 45.1 -15.2 387 175 B K T <4 S+ 0 0 57 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.2 0.719 125.8 44.7-116.0 -36.1 60.2 43.3 -11.9 388 176 B Y S < S- 0 0 9 -4,-3.2 -1,-0.2 -5,-0.2 3,-0.1 -0.869 88.6 -87.7-120.0 151.3 62.8 40.5 -11.7 389 177 B P - 0 0 70 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.081 51.6 -92.5 -46.1 154.9 66.5 40.1 -12.4 390 178 B S + 0 0 89 1,-0.2 3,-0.2 -5,-0.1 -9,-0.0 -0.658 48.6 168.0 -77.1 115.4 67.8 39.2 -15.9 391 179 B S > + 0 0 37 -2,-0.6 3,-1.9 1,-0.1 -1,-0.2 0.462 50.6 98.2-107.0 -5.9 68.1 35.4 -16.0 392 180 B L G > + 0 0 11 1,-0.3 3,-2.9 2,-0.2 7,-0.4 0.604 57.4 96.1 -58.6 -10.0 68.6 35.0 -19.7 393 181 B K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.827 84.6 47.4 -49.3 -35.0 72.3 34.8 -18.8 394 182 B N G < S+ 0 0 117 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.362 104.9 65.2 -91.1 5.0 71.9 31.0 -18.9 395 183 B F <> + 0 0 30 -3,-2.9 4,-3.3 1,-0.2 5,-0.2 -0.729 60.3 179.4-133.1 85.2 70.1 31.0 -22.2 396 184 B P H > S+ 0 0 73 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.892 80.9 42.2 -46.3 -63.5 72.3 32.2 -25.1 397 185 B L H > S+ 0 0 37 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.940 118.6 46.5 -56.6 -49.7 70.0 31.9 -28.1 398 186 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.931 114.0 48.1 -58.3 -47.8 67.1 33.3 -26.1 399 187 B K H X S+ 0 0 91 -4,-3.3 4,-1.8 -7,-0.4 -1,-0.2 0.910 115.1 46.0 -58.8 -43.3 69.3 36.1 -24.8 400 188 B A H X S+ 0 0 17 -4,-3.2 4,-2.9 -5,-0.2 -2,-0.2 0.927 109.9 54.4 -65.1 -46.2 70.5 36.7 -28.4 401 189 B H H X S+ 0 0 0 -4,-3.8 4,-2.7 1,-0.2 5,-0.2 0.906 108.7 47.8 -54.9 -47.0 67.0 36.6 -29.8 402 190 B N H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.904 112.3 48.5 -64.1 -42.0 65.7 39.3 -27.4 403 191 B E H X S+ 0 0 103 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.944 112.4 50.3 -62.2 -47.1 68.7 41.6 -28.1 404 192 B F H < S+ 0 0 35 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.940 113.6 43.6 -54.4 -54.6 68.1 41.1 -31.8 405 193 B I H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.874 112.9 52.0 -61.4 -40.8 64.4 41.9 -31.7 406 194 B S H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 106.5 54.4 -67.2 -31.6 64.9 44.9 -29.3 407 195 B N T 3< S+ 0 0 94 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.420 76.9 121.3 -84.1 0.8 67.5 46.4 -31.6 408 196 B L S <> S- 0 0 32 -3,-1.1 4,-4.0 -4,-0.3 5,-0.4 -0.495 74.7-118.2 -66.2 131.4 65.2 46.3 -34.7 409 197 B P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.848 110.5 39.3 -33.8 -65.5 64.8 49.9 -35.9 410 198 B N H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 121.9 43.7 -59.7 -40.4 61.0 50.2 -35.4 411 199 B I H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.939 113.0 50.4 -70.6 -48.0 61.1 48.3 -32.1 412 200 B K H X S+ 0 0 106 -4,-4.0 4,-1.7 1,-0.2 -2,-0.2 0.881 113.4 46.8 -57.4 -41.0 64.1 50.1 -30.7 413 201 B N H X S+ 0 0 95 -4,-2.3 4,-1.3 -5,-0.4 -1,-0.2 0.940 111.4 51.6 -67.4 -47.6 62.6 53.4 -31.5 414 202 B Y H >X S+ 0 0 35 -4,-2.1 4,-1.8 -5,-0.2 3,-1.0 0.948 109.2 48.6 -53.6 -56.6 59.2 52.5 -30.0 415 203 B I H 3< S+ 0 0 43 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.924 108.0 54.5 -51.0 -51.6 60.7 51.3 -26.7 416 204 B T H 3< S+ 0 0 104 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.770 112.9 44.4 -56.3 -27.6 62.8 54.4 -26.3 417 205 B N H << S+ 0 0 114 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.753 90.5 94.4 -91.7 -26.0 59.7 56.6 -26.7 418 206 B R S < S- 0 0 44 -4,-1.8 2,-0.1 -3,-0.4 3,-0.0 -0.415 77.3-117.0 -70.1 142.3 57.2 54.8 -24.5 419 207 B K - 0 0 175 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.391 35.6 -93.6 -76.0 155.0 56.8 56.0 -20.9 420 208 B E - 0 0 187 -2,-0.1 2,-0.4 -196,-0.0 -1,-0.1 -0.565 44.9-169.0 -73.2 123.2 57.7 53.7 -18.0 421 209 B S - 0 0 29 -2,-0.4 -197,-0.1 1,-0.1 -3,-0.0 -0.898 25.5-145.3-114.2 143.3 54.6 51.9 -16.7 422 210 B V 0 0 106 -2,-0.4 -1,-0.1 -197,-0.0 -198,-0.1 0.820 360.0 360.0 -73.8 -30.4 54.4 49.9 -13.5 423 211 B Y 0 0 104 -200,-0.2 -198,-2.4 -3,-0.1 -2,-0.0 -0.772 360.0 360.0-126.7 360.0 52.1 47.4 -15.2