==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-SEP-12 3VWX . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 6B; . SOURCE 2 ORGANISM_SCIENTIFIC: MUSCA DOMESTICA; . AUTHOR C.NAKAMURA,M.SUE,T.MIYAMOTO,S.YAJIMA . 876 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 638 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 5.3 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 . 8 0.9 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 . 34 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 53 6.1 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 4 0 4 0 0 0 4 4 11 5 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 3 A K 0 0 143 0, 0.0 58,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 115.5 -64.4 39.2 -11.3 2 4 A L E -A 58 0A 8 56,-0.2 26,-2.6 24,-0.1 2,-0.4 -0.989 360.0-179.5-110.1 135.2 -62.2 37.1 -9.0 3 5 A V E -Ab 57 28A 8 54,-2.2 54,-3.0 -2,-0.5 2,-0.5 -0.999 8.5-162.9-130.1 127.4 -60.3 38.3 -6.0 4 6 A L E -Ab 56 29A 0 24,-2.7 26,-2.5 -2,-0.4 2,-0.5 -0.961 6.5-155.5-107.5 129.4 -58.1 36.0 -3.8 5 7 A Y E +Ab 55 30A 19 50,-2.9 50,-1.1 -2,-0.5 2,-0.3 -0.872 43.1 95.8-104.7 130.7 -57.1 37.1 -0.4 6 8 A G E - b 0 31A 0 24,-2.0 26,-2.5 -2,-0.5 2,-0.3 -0.965 61.2-106.3-179.0-170.9 -54.0 35.5 1.0 7 9 A I > - 0 0 19 -2,-0.3 3,-1.4 24,-0.2 7,-0.2 -0.965 34.4-118.9-143.5 145.9 -50.2 35.6 1.6 8 10 A D T 3 S+ 0 0 44 -2,-0.3 6,-0.2 1,-0.3 195,-0.2 0.806 105.9 60.7 -67.6 -33.1 -47.8 33.3 -0.3 9 11 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 198,-0.0 0.670 82.3 98.1 -65.2 -14.5 -46.3 31.3 2.7 10 12 A S <> - 0 0 16 -3,-1.4 4,-2.4 1,-0.1 5,-0.2 -0.603 67.7-148.6 -76.5 121.5 -49.8 29.9 3.5 11 13 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.927 96.8 50.5 -56.4 -46.3 -50.3 26.4 2.0 12 14 A P H > S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.869 109.1 51.8 -68.8 -27.8 -54.0 26.7 1.4 13 15 A V H > S+ 0 0 0 40,-0.2 4,-2.6 2,-0.2 3,-0.4 0.963 109.9 50.6 -58.2 -53.7 -53.5 30.1 -0.4 14 16 A R H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.827 104.8 56.8 -55.8 -33.7 -50.9 28.3 -2.6 15 17 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.918 108.8 46.2 -63.9 -42.9 -53.4 25.6 -3.4 16 18 A C H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.4 -2,-0.2 0.906 111.7 52.2 -64.9 -42.6 -55.8 28.2 -4.7 17 19 A L H X S+ 0 0 11 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 109.0 50.7 -61.6 -44.4 -53.0 29.9 -6.7 18 20 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 181,-0.3 -1,-0.2 0.912 113.4 45.0 -58.2 -42.3 -52.1 26.5 -8.2 19 21 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.875 110.3 52.3 -70.3 -41.5 -55.8 26.0 -9.2 20 22 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.2 0.875 114.0 45.5 -57.5 -44.5 -56.3 29.5 -10.6 21 23 A K H ><5S+ 0 0 65 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.902 110.1 53.3 -69.8 -44.5 -53.2 29.0 -12.7 22 24 A A H 3<5S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.830 114.5 41.3 -57.4 -37.6 -54.2 25.6 -13.9 23 25 A L T 3<5S- 0 0 33 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.401 108.8-128.7 -88.2 -2.0 -57.6 26.9 -15.0 24 26 A N T < 5 + 0 0 135 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.873 48.4 164.0 50.0 51.7 -55.9 30.0 -16.4 25 27 A L < - 0 0 23 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.829 37.4-128.0 -99.5 126.6 -58.3 32.4 -14.6 26 28 A P + 0 0 113 0, 0.0 2,-0.3 0, 0.0 -24,-0.1 -0.532 41.5 159.8 -65.7 139.5 -57.5 36.0 -14.2 27 29 A F - 0 0 56 -2,-0.2 2,-0.5 -26,-0.1 -24,-0.2 -0.973 41.0-116.3-154.6 160.2 -57.8 37.3 -10.6 28 30 A E E -b 3 0A 94 -26,-2.6 -24,-2.7 -2,-0.3 2,-0.7 -0.881 25.4-146.1 -95.3 134.9 -56.7 40.0 -8.3 29 31 A Y E -b 4 0A 63 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.907 13.0-167.7-105.6 107.6 -54.4 38.9 -5.5 30 32 A K E -b 5 0A 84 -26,-2.5 -24,-2.0 -2,-0.7 2,-0.4 -0.888 18.9-133.3 -96.9 118.9 -55.0 41.0 -2.4 31 33 A V E -b 6 0A 89 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.545 20.4-173.9 -77.5 122.7 -52.3 40.5 0.2 32 34 A V - 0 0 10 -26,-2.5 2,-0.9 -2,-0.4 7,-0.1 -0.908 17.3-149.3-116.0 103.5 -53.6 39.9 3.7 33 35 A N > > - 0 0 52 -2,-0.6 5,-2.3 1,-0.2 3,-1.0 -0.620 13.8-171.7 -85.9 103.3 -50.6 39.9 5.9 34 36 A L G > 5S+ 0 0 53 -2,-0.9 3,-1.5 1,-0.3 -1,-0.2 0.796 86.6 59.6 -59.9 -36.2 -51.1 37.5 8.9 35 37 A F G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.764 107.9 44.4 -69.3 -23.8 -47.9 38.7 10.5 36 38 A A G < 5S- 0 0 56 -3,-1.0 -1,-0.3 0, 0.0 -2,-0.2 0.225 116.0-119.5 -97.2 7.2 -49.2 42.2 10.5 37 39 A K T X 5 + 0 0 132 -3,-1.5 3,-1.8 1,-0.1 -3,-0.2 0.755 63.9 148.1 57.1 28.6 -52.6 40.9 11.8 38 40 A E G > < + 0 0 90 -5,-2.3 3,-0.7 1,-0.3 6,-0.2 0.709 65.8 64.6 -61.5 -17.4 -54.4 42.2 8.7 39 41 A H G 3 S+ 0 0 24 -6,-0.2 -1,-0.3 1,-0.2 9,-0.1 0.514 94.7 59.7 -84.9 -5.0 -56.8 39.2 9.0 40 42 A L G < S+ 0 0 71 -3,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.316 77.7 113.1-107.1 -0.6 -58.1 40.5 12.3 41 43 A S S <> S- 0 0 49 -3,-0.7 4,-2.5 -4,-0.2 5,-0.2 -0.385 79.8-113.7 -64.8 151.4 -59.4 43.9 11.1 42 44 A E H > S+ 0 0 152 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.896 116.6 56.4 -51.2 -39.6 -63.2 44.5 11.2 43 45 A E H > S+ 0 0 133 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.922 110.7 41.1 -61.8 -46.5 -63.2 44.7 7.4 44 46 A Y H >> S+ 0 0 8 -6,-0.2 4,-2.9 1,-0.2 3,-0.6 0.909 109.4 58.6 -72.6 -36.5 -61.6 41.2 7.0 45 47 A L H 3< S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 101.8 57.0 -61.8 -30.1 -63.7 39.7 9.7 46 48 A K H 3< S+ 0 0 153 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.834 111.6 41.8 -66.8 -35.9 -66.8 40.7 7.7 47 49 A K H << S+ 0 0 38 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.860 136.7 10.2 -75.8 -40.9 -65.5 38.8 4.8 48 50 A N >< - 0 0 0 -4,-2.9 3,-2.2 -9,-0.1 -1,-0.3 -0.818 57.4-169.9-144.9 99.3 -64.4 35.8 6.8 49 51 A P T 3 S+ 0 0 36 0, 0.0 -4,-0.1 0, 0.0 752,-0.1 0.607 91.5 64.3 -67.4 -11.4 -65.3 35.4 10.5 50 52 A Q T 3 S- 0 0 15 2,-0.1 3,-0.1 751,-0.1 -5,-0.1 0.612 100.9-140.6 -78.0 -13.8 -62.9 32.5 10.8 51 53 A H < + 0 0 46 -3,-2.2 2,-0.3 1,-0.2 -12,-0.1 0.911 54.2 133.2 49.8 47.2 -60.2 35.1 10.0 52 54 A T - 0 0 25 2,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 -0.830 51.2-100.1-113.4 160.7 -58.3 32.7 7.8 53 55 A V S S+ 0 0 10 -2,-0.3 -40,-0.2 -3,-0.1 -47,-0.1 -0.958 85.3 57.5-115.2 148.9 -56.7 33.0 4.4 54 56 A P + 0 0 2 0, 0.0 11,-1.2 0, 0.0 2,-0.4 0.432 58.4 164.3 -77.8 162.1 -57.6 32.2 1.6 55 57 A T E -AC 5 64A 0 -50,-1.1 -50,-2.9 9,-0.2 2,-0.4 -0.976 22.3-149.9-132.0 139.6 -60.9 33.9 1.0 56 58 A L E -AC 4 63A 1 7,-3.3 7,-2.8 -2,-0.4 2,-0.5 -0.958 5.4-162.6-111.2 136.6 -62.3 34.2 -2.5 57 59 A E E -AC 3 62A 46 -54,-3.0 -54,-2.2 -2,-0.4 2,-0.5 -0.975 8.4-178.4-115.9 125.6 -64.5 37.0 -3.7 58 60 A E E > S-AC 2 61A 8 3,-2.7 3,-2.9 -2,-0.5 -56,-0.2 -0.970 73.8 -31.6-130.0 113.5 -66.5 36.5 -6.9 59 61 A D T 3 S- 0 0 111 -58,-1.6 -1,-0.1 -2,-0.5 3,-0.1 0.879 127.3 -46.5 41.6 47.3 -68.7 39.4 -8.0 60 62 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 -59,-0.1 -1,-0.3 0.208 112.6 119.8 87.8 -20.1 -69.1 40.4 -4.4 61 63 A H E < -C 58 0A 113 -3,-2.9 -3,-2.7 1,-0.0 2,-0.4 -0.706 52.9-147.1 -82.9 136.0 -69.9 36.9 -3.1 62 64 A L E +C 57 0A 60 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.812 22.7 167.3-107.8 132.1 -67.4 35.6 -0.5 63 65 A I E -C 56 0A 11 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.3 -0.985 10.8-167.9-136.9 148.1 -66.3 32.0 0.1 64 66 A W E +C 55 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.835 40.9 72.3-134.4 179.5 -63.5 30.6 2.1 65 67 A D > - 0 0 26 -11,-1.2 4,-2.8 -2,-0.3 3,-0.5 0.736 68.8-117.9 78.8 118.2 -61.5 27.4 2.8 66 68 A S H > S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.814 111.7 51.2 -48.9 -43.6 -59.1 26.4 0.0 67 69 A H H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 112.6 44.0 -68.2 -39.9 -60.8 23.1 -0.6 68 70 A A H > S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.917 115.5 49.9 -69.7 -40.3 -64.2 24.6 -1.0 69 71 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.912 111.3 48.8 -63.3 -48.3 -62.7 27.4 -3.2 70 72 A M H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-0.3 0.935 112.3 46.7 -61.9 -47.3 -60.9 24.9 -5.4 71 73 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.917 114.0 49.7 -57.6 -46.0 -63.9 22.7 -5.9 72 74 A Y H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.946 110.5 50.0 -57.1 -47.8 -66.0 25.8 -6.7 73 75 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.5 0.922 114.0 43.2 -64.2 -46.7 -63.4 27.1 -9.2 74 76 A V H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.937 116.6 47.9 -65.3 -45.6 -63.2 23.9 -11.2 75 77 A S H < S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.875 120.7 35.9 -59.7 -43.1 -66.9 23.3 -11.1 76 78 A K H < S+ 0 0 95 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.879 134.5 20.4 -78.4 -40.0 -67.8 26.9 -12.2 77 79 A Y H < S+ 0 0 75 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.555 85.0 117.4-114.3 -16.5 -64.8 27.5 -14.7 78 80 A G < - 0 0 24 -4,-2.3 3,-0.1 -5,-0.5 -55,-0.1 -0.357 55.5-145.9 -64.9 135.6 -63.3 24.2 -15.8 79 81 A K S S- 0 0 203 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.816 90.2 -0.2 -67.2 -34.4 -63.6 23.5 -19.5 80 82 A D S S- 0 0 99 -6,-0.0 3,-0.4 -3,-0.0 -1,-0.1 -0.885 84.1-102.2-142.6-178.7 -64.0 19.9 -18.4 81 83 A D S > S+ 0 0 57 -2,-0.3 3,-1.7 1,-0.2 -6,-0.1 0.250 77.7 115.3 -90.7 10.6 -64.0 18.1 -15.1 82 84 A S T 3 S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.1 72,-0.1 0.856 77.3 49.6 -55.4 -37.0 -60.5 16.6 -15.1 83 85 A L T 3 S+ 0 0 20 -3,-0.4 74,-2.6 1,-0.3 75,-0.3 0.646 132.7 15.1 -75.0 -16.7 -59.3 18.6 -12.1 84 86 A Y S < S- 0 0 3 -3,-1.7 -1,-0.3 72,-0.2 -2,-0.1 -0.568 90.9-142.1-157.1 79.9 -62.4 17.6 -10.0 85 87 A P - 0 0 6 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.148 5.2-145.4 -56.1 136.6 -64.2 14.7 -11.7 86 88 A K + 0 0 118 4,-0.1 -4,-0.0 5,-0.1 5,-0.0 0.783 69.4 108.3 -71.1 -29.8 -68.0 14.6 -11.6 87 89 A D S > S- 0 0 75 1,-0.1 4,-3.3 2,-0.1 5,-0.2 -0.310 73.7-135.2 -48.9 128.4 -68.1 10.8 -11.3 88 90 A L H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.836 100.6 44.7 -66.5 -37.8 -69.3 10.2 -7.8 89 91 A L H > S+ 0 0 45 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.893 115.5 46.8 -73.4 -41.6 -66.7 7.5 -7.0 90 92 A K H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.917 113.2 50.2 -64.7 -42.0 -63.9 9.4 -8.6 91 93 A R H X S+ 0 0 26 -4,-3.3 4,-3.2 1,-0.2 -2,-0.2 0.857 102.9 61.3 -61.5 -41.5 -65.0 12.6 -6.7 92 94 A A H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.870 105.2 47.6 -56.1 -34.3 -65.1 10.6 -3.4 93 95 A V H X S+ 0 0 45 -4,-1.2 4,-2.6 -3,-0.4 5,-0.2 0.930 112.6 47.5 -71.8 -44.2 -61.4 9.9 -3.7 94 96 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.955 113.5 48.9 -58.2 -49.6 -60.6 13.5 -4.5 95 97 A D H X S+ 0 0 9 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.932 110.7 50.1 -53.1 -53.7 -62.7 14.6 -1.5 96 98 A Q H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 109.2 51.1 -56.2 -45.8 -61.1 12.1 0.9 97 99 A R H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.877 111.3 48.7 -60.5 -42.0 -57.6 13.2 -0.1 98 100 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.918 110.3 49.1 -63.3 -40.9 -58.5 16.8 0.5 99 101 A Y H X S+ 0 0 5 -4,-2.7 4,-2.4 2,-0.2 5,-0.4 0.894 110.3 54.0 -66.3 -32.4 -60.1 16.1 3.9 100 102 A F H X>S+ 0 0 2 -4,-2.5 5,-1.6 -5,-0.2 4,-1.5 0.934 109.1 47.6 -62.9 -44.4 -56.8 14.2 4.7 101 103 A E H <>S+ 0 0 0 -4,-2.1 5,-3.8 1,-0.2 6,-0.4 0.950 111.7 51.0 -60.9 -46.1 -54.8 17.2 3.8 102 104 A A H <>S+ 0 0 7 -4,-2.8 5,-1.6 3,-0.2 -2,-0.2 0.909 125.9 21.3 -58.2 -45.5 -57.0 19.4 5.9 103 105 A G H <>S+ 0 0 7 -4,-2.4 5,-2.4 3,-0.2 -3,-0.2 0.942 131.8 30.1 -93.2 -53.9 -56.9 17.4 9.0 104 106 A V I <>S+ 0 0 29 -4,-1.5 5,-0.7 -5,-0.4 -3,-0.2 0.956 129.8 28.8 -77.8 -47.4 -53.8 15.1 9.0 105 107 A L I >XS+ 0 0 0 -5,-1.6 5,-2.2 3,-0.2 4,-0.7 0.982 129.5 31.4 -81.3 -55.8 -51.3 17.1 7.0 106 108 A F I 4XS+ 0 0 39 -5,-3.8 5,-3.2 3,-0.2 6,-0.4 0.973 133.8 21.3 -72.3 -59.7 -52.3 20.8 7.6 107 109 A Q I 4XS+ 0 0 29 -5,-1.6 5,-1.3 -6,-0.4 -3,-0.2 0.954 132.1 39.2 -71.7 -50.6 -53.7 20.8 11.1 108 110 A G I 4> S+ 0 0 11 -3,-1.7 4,-1.9 -4,-0.3 -2,-0.2 0.755 121.2 53.3 -96.3 -40.1 -45.9 22.9 14.9 114 116 A T H X S+ 0 0 17 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.824 104.1 54.3 -75.4 -29.5 -46.3 26.4 13.4 115 117 A A H X>S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 5,-0.6 0.979 113.2 41.3 -67.7 -54.2 -48.9 27.7 15.8 116 118 A P H >5S+ 0 0 26 0, 0.0 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294 77 B S H <5S+ 0 0 32 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.891 120.8 35.9 -57.8 -44.9 -13.3 19.1 -33.1 295 78 B K H <5S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.865 134.2 20.7 -75.4 -40.9 -10.6 21.6 -34.2 296 79 B Y H <5S+ 0 0 77 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.581 84.9 117.9-112.8 -19.8 -8.6 19.3 -36.7 297 80 B G << - 0 0 25 -4,-2.2 3,-0.1 -5,-0.5 -55,-0.1 -0.342 54.5-147.1 -59.9 133.5 -10.7 16.4 -37.8 298 81 B K S S+ 0 0 207 1,-0.1 2,-0.3 -2,-0.0 -1,-0.2 0.808 90.6 0.5 -65.5 -36.6 -11.5 16.3 -41.5 299 82 B D S S- 0 0 97 -6,-0.1 3,-0.4 -3,-0.0 -1,-0.1 -0.887 84.0-102.9-140.8-178.3 -14.7 14.8 -40.4 300 83 B D S > S+ 0 0 56 -2,-0.3 3,-1.7 1,-0.2 -6,-0.1 0.262 78.1 115.1 -92.1 13.2 -16.4 13.9 -37.0 301 84 B S T 3 S+ 0 0 51 1,-0.3 -1,-0.2 2,-0.1 72,-0.1 0.875 77.1 49.1 -55.3 -38.3 -15.8 10.1 -37.0 302 85 B L T 3 S+ 0 0 19 -3,-0.4 74,-2.5 1,-0.3 75,-0.3 0.636 133.1 14.8 -74.2 -19.5 -13.5 10.1 -34.0 303 86 B Y S < S- 0 0 4 -3,-1.7 -1,-0.3 72,-0.2 -2,-0.1 -0.548 90.1-142.3-156.9 79.1 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-0.959 86.0 57.3-111.3 148.5 -63.0 4.6 10.8 713 56 D P + 0 0 2 0, 0.0 11,-1.1 0, 0.0 2,-0.4 0.419 58.0 167.7 -79.5 156.3 -65.5 5.1 9.0 714 57 D T E -QR 664 723J 0 -50,-1.3 -50,-3.2 9,-0.2 2,-0.5 -0.982 19.5-152.5-121.4 140.9 -65.1 3.1 5.9 715 58 D L E -QR 663 722J 1 7,-3.5 7,-2.9 -2,-0.4 2,-0.4 -0.957 6.7-165.5-109.4 132.6 -68.0 2.7 3.5 716 59 D E E +QR 662 721J 52 -54,-2.9 -54,-2.3 -2,-0.5 2,-0.3 -0.975 12.1 170.1-115.8 130.9 -68.3 -0.4 1.2 717 60 D E E > S- R 0 720J 9 3,-2.7 3,-2.1 -2,-0.4 -56,-0.1 -0.930 71.9 -26.3-141.0 117.2 -70.7 -0.5 -1.7 718 61 D D T 3 S- 0 0 120 -58,-0.5 2,-0.1 -2,-0.3 3,-0.1 0.918 128.1 -46.5 44.3 49.9 -70.7 -3.3 -4.4 719 62 D G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.021 113.4 120.6 88.6 -30.0 -67.0 -3.9 -3.7 720 63 D H E < -R 717 0J 97 -3,-2.1 -3,-2.7 -2,-0.1 2,-0.5 -0.495 49.9-152.3 -73.6 134.3 -66.0 -0.2 -3.8 721 64 D L E +R 716 0J 59 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.949 15.5 178.1-110.9 128.6 -64.4 1.2 -0.6 722 65 D I E -R 715 0J 13 -7,-2.9 -7,-3.5 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114.0 42.8 -58.4 -48.6 -74.4 9.2 -0.0 733 76 D V H X5S+ 0 0 6 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.949 116.4 48.5 -62.7 -46.6 -76.4 12.4 -0.6 734 77 D S H <5S+ 0 0 45 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.911 120.9 36.3 -60.0 -42.3 -75.2 12.7 -4.2 735 78 D K H <5S+ 0 0 90 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.943 133.6 18.7 -75.2 -52.1 -76.0 9.0 -4.9 736 79 D Y H <5S+ 0 0 80 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.632 85.5 117.7-101.8 -20.5 -79.2 8.4 -3.0 737 80 D G << - 0 0 22 -4,-2.0 3,-0.1 -5,-0.6 -55,-0.1 -0.284 58.7-141.1 -61.8 132.5 -80.8 11.7 -2.1 738 81 D K S S- 0 0 217 -56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.838 90.5 -7.7 -58.0 -44.5 -84.3 12.2 -3.6 739 82 D D S S- 0 0 103 -6,-0.0 3,-0.4 5,-0.0 4,-0.0 -0.812 88.0 -91.6-135.0-166.8 -83.2 15.7 -4.1 740 83 D D S > S+ 0 0 67 -2,-0.3 3,-1.2 1,-0.2 -6,-0.1 0.091 78.1 121.4 -98.0 21.3 -80.1 17.8 -3.1 741 84 D S T 3 S+ 0 0 50 1,-0.3 -1,-0.2 2,-0.1 72,-0.1 0.875 77.3 44.2 -53.9 -45.9 -81.5 19.2 0.1 742 85 D L T 3 S+ 0 0 21 -3,-0.4 74,-2.7 1,-0.3 75,-0.3 0.595 132.9 19.3 -75.7 -12.6 -78.8 17.7 2.3 743 86 D Y S < S- 0 0 4 -3,-1.2 -1,-0.3 72,-0.2 -2,-0.1 -0.549 90.4-140.0-159.2 81.0 -76.0 18.7 -0.0 744 87 D P - 0 0 7 0, 0.0 -3,-0.1 0, 0.0 9,-0.1 -0.118 6.4-147.8 -56.7 136.3 -77.1 21.5 -2.5 745 88 D K + 0 0 141 4,-0.1 5,-0.1 5,-0.1 -4,-0.0 0.770 69.9 108.1 -67.5 -29.3 -76.0 21.3 -6.1 746 89 D D S > S- 0 0 81 1,-0.1 4,-3.1 2,-0.1 5,-0.2 -0.307 73.2-137.5 -50.2 121.6 -76.0 25.1 -6.2 747 90 D L H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.874 99.1 46.2 -64.2 -39.4 -72.3 25.8 -6.3 748 91 D L H > S+ 0 0 46 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.889 116.3 46.9 -68.1 -39.1 -72.2 28.8 -3.9 749 92 D K H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.907 111.2 51.4 -63.7 -45.6 -74.5 26.8 -1.5 750 93 D R H X S+ 0 0 18 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.885 103.5 60.0 -60.2 -38.8 -72.2 23.7 -1.9 751 94 D A H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.851 105.5 48.2 -60.3 -32.2 -69.2 25.9 -1.1 752 95 D V H X S+ 0 0 41 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.929 112.2 47.0 -73.5 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