==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-08 3FHS . COMPND 2 MOLECULE: 2,4-D INDUCIBLE GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR I.AXARLI,D.PRATHUSHA,A.C.PAPAGEORGIOU,N.E.LABROU . 435 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.5 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 0.9 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 . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 3 0 2 0 2 3 1 1 0 1 0 0 0 1 0 0 1 0 0 0 0 2 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 . 2 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 4 A E 0 0 155 0, 0.0 56,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 106.9 -74.8 -14.1 -19.2 2 5 A V E -A 56 0A 12 24,-0.3 26,-2.4 54,-0.2 2,-0.4 -0.979 360.0-179.2-137.4 128.4 -71.7 -14.1 -16.9 3 6 A V E -Ab 55 28A 16 52,-2.6 52,-3.2 -2,-0.4 2,-0.5 -0.960 12.2-154.4-123.6 137.9 -68.1 -14.7 -17.5 4 7 A L E -Ab 54 29A 0 24,-3.1 26,-2.5 -2,-0.4 2,-0.6 -0.961 2.9-157.1-114.3 117.2 -65.2 -14.7 -15.1 5 8 A L E +Ab 53 30A 0 48,-3.2 48,-1.6 -2,-0.5 2,-0.3 -0.835 39.8 143.1 -86.5 122.3 -61.7 -13.9 -16.3 6 9 A D E - b 0 31A 0 24,-2.5 26,-3.4 -2,-0.6 2,-0.3 -0.852 50.2-130.5-150.5 174.9 -59.4 -15.4 -13.7 7 10 A F > - 0 0 34 -2,-0.3 3,-2.5 24,-0.2 6,-0.2 -0.974 34.9-122.3-140.3 126.3 -56.2 -17.3 -12.9 8 11 A W T 3 S+ 0 0 80 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.712 102.9 44.2 -55.0 -37.0 -56.5 -20.3 -10.7 9 12 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 0.486 83.8 122.0 -89.5 7.8 -54.3 -19.6 -7.7 10 13 A S <> - 0 0 12 -3,-2.5 4,-2.3 1,-0.2 5,-0.1 -0.494 49.7-160.0 -70.1 122.1 -55.5 -16.0 -7.4 11 14 A P H > S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.839 96.7 54.1 -66.1 -32.8 -57.0 -15.1 -3.9 12 15 A F H >> S+ 0 0 53 2,-0.2 4,-1.0 1,-0.2 3,-0.7 0.956 109.1 46.7 -67.5 -44.9 -58.7 -12.2 -5.5 13 16 A G H >> S+ 0 0 0 1,-0.3 4,-2.2 -6,-0.2 3,-0.6 0.932 105.4 60.9 -59.4 -44.4 -60.3 -14.4 -8.2 14 17 A M H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.3 -1,-0.3 0.817 97.0 61.3 -54.0 -33.9 -61.3 -16.9 -5.6 15 18 A R H S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 4,-0.3 0.881 113.9 47.9 -64.1 -43.5 -71.1 -16.4 -7.6 21 24 A A H ><5S+ 0 0 24 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.950 110.0 52.5 -65.7 -49.5 -71.4 -19.9 -6.1 22 25 A E H 3<5S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.1 46.3 -48.0 -39.2 -73.1 -18.5 -2.9 23 26 A K T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.524 113.2-122.7 -85.7 -5.0 -75.5 -16.7 -5.0 24 27 A G T < 5 + 0 0 55 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.747 54.6 160.0 66.4 29.4 -76.1 -19.8 -7.1 25 28 A I < - 0 0 17 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.720 36.8-135.7 -88.9 123.8 -75.1 -18.0 -10.3 26 29 A K + 0 0 184 -2,-0.5 -24,-0.3 -5,-0.0 2,-0.3 -0.631 35.9 167.0 -74.6 126.1 -74.0 -20.0 -13.4 27 30 A Y - 0 0 66 -2,-0.4 2,-0.6 -26,-0.1 -24,-0.2 -0.961 39.0-116.8-138.6 158.6 -70.9 -18.6 -15.1 28 31 A E E -b 3 0A 90 -26,-2.4 -24,-3.1 -2,-0.3 2,-0.4 -0.849 29.3-148.6 -92.1 123.6 -68.2 -19.4 -17.6 29 32 A Y E -b 4 0A 76 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.758 11.8-167.1 -90.0 136.6 -64.8 -19.5 -16.1 30 33 A K E -b 5 0A 81 -26,-2.5 -24,-2.5 -2,-0.4 2,-0.5 -0.978 13.6-139.3-132.3 118.1 -61.9 -18.5 -18.4 31 34 A E E -b 6 0A 94 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.632 17.2-162.0 -81.3 121.9 -58.3 -19.1 -17.4 32 35 A E - 0 0 15 -26,-3.4 2,-0.7 -2,-0.5 -24,-0.2 -0.776 15.6-140.7 -96.6 147.5 -55.8 -16.3 -18.2 33 36 A D > - 0 0 85 3,-0.5 3,-1.9 -2,-0.3 -26,-0.1 -0.949 11.5-156.1-102.3 112.5 -52.1 -16.8 -18.4 34 37 A L T 3 S+ 0 0 67 -2,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.615 92.6 61.7 -68.2 -10.8 -50.8 -13.6 -16.7 35 38 A R T 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.0 2,-0.0 0.578 119.1 27.3 -85.2 -14.1 -47.5 -14.1 -18.6 36 39 A N S < S- 0 0 123 -3,-1.9 -3,-0.5 2,-0.0 -1,-0.3 -0.530 86.9-160.8-144.3 69.7 -49.5 -13.8 -21.9 37 40 A K - 0 0 78 -3,-0.5 -3,-0.1 -5,-0.1 -5,-0.0 -0.264 24.1-116.9 -56.2 136.6 -52.6 -11.7 -21.0 38 41 A S > - 0 0 32 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.353 14.8-118.3 -73.3 154.9 -55.3 -12.2 -23.7 39 42 A P H > S+ 0 0 113 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.922 116.7 60.8 -57.0 -37.8 -56.5 -9.4 -25.9 40 43 A L H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 105.6 44.9 -51.4 -50.8 -59.9 -10.0 -24.2 41 44 A L H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.897 110.4 54.8 -63.5 -37.6 -58.5 -9.2 -20.8 42 45 A L H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 111.5 44.4 -68.9 -34.4 -56.6 -6.2 -22.1 43 46 A Q H < S+ 0 0 145 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.911 117.2 45.6 -66.2 -42.2 -59.9 -4.8 -23.5 44 47 A M H < S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.892 127.6 24.0 -75.6 -33.2 -61.9 -5.6 -20.4 45 48 A N X + 0 0 3 -4,-3.2 4,-2.2 -5,-0.2 -1,-0.3 -0.521 69.1 154.2-124.9 64.8 -59.4 -4.2 -17.8 46 49 A P T 4 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.836 70.1 54.0 -70.1 -26.0 -57.2 -1.7 -19.6 47 50 A V T 4 S+ 0 0 33 -3,-0.1 -2,-0.1 1,-0.1 -5,-0.0 0.951 130.0 7.5 -75.1 -40.4 -56.3 0.3 -16.5 48 51 A H T 4 S- 0 0 23 2,-0.1 -1,-0.1 -6,-0.0 3,-0.1 0.675 77.5-149.1-109.3 -21.2 -54.9 -2.4 -14.3 49 52 A K < + 0 0 90 -4,-2.2 2,-0.3 1,-0.2 -7,-0.1 0.831 54.6 128.6 48.3 38.6 -54.7 -5.4 -16.6 50 53 A K - 0 0 113 2,-0.1 -1,-0.2 -9,-0.1 -2,-0.1 -0.782 51.0 -96.2-108.2 162.4 -55.3 -7.7 -13.6 51 54 A I S S+ 0 0 17 -2,-0.3 -45,-0.2 -3,-0.1 2,-0.1 -0.713 82.2 71.4-102.6 166.4 -57.8 -10.5 -13.0 52 55 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.596 55.7 168.3 -74.6 152.8 -60.5 -11.2 -11.8 53 56 A V E -AC 5 62A 0 -48,-1.6 -48,-3.2 9,-0.2 2,-0.5 -0.992 21.5-152.9-124.9 125.7 -62.7 -9.4 -14.3 54 57 A L E -AC 4 61A 0 7,-2.8 7,-2.7 -2,-0.4 2,-0.6 -0.868 7.5-162.3 -92.8 132.9 -66.3 -10.2 -14.0 55 58 A I E -AC 3 60A 15 -52,-3.2 -52,-2.6 -2,-0.5 2,-0.6 -0.931 9.0-177.7-122.0 108.1 -68.2 -9.8 -17.3 56 59 A H E > S-AC 2 59A 22 3,-2.5 3,-1.9 -2,-0.6 -54,-0.2 -0.922 74.2 -19.2-115.6 117.8 -71.9 -9.5 -16.9 57 60 A N T 3 S- 0 0 106 -56,-3.2 -1,-0.2 -2,-0.6 -55,-0.1 0.774 129.8 -51.7 49.5 31.5 -73.9 -9.2 -20.1 58 61 A G T 3 S+ 0 0 53 -57,-0.3 -1,-0.3 1,-0.3 -56,-0.1 0.376 114.7 112.0 97.2 -3.2 -70.8 -8.1 -21.8 59 62 A K E < -C 56 0A 91 -3,-1.9 -3,-2.5 2,-0.0 -1,-0.3 -0.907 61.8-127.7-110.7 130.7 -69.8 -5.4 -19.4 60 63 A P E -C 55 0A 29 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.485 17.5-171.7 -76.1 139.3 -66.7 -5.6 -17.2 61 64 A I E -C 54 0A 1 -7,-2.7 -7,-2.8 -2,-0.2 2,-0.2 -0.984 17.3-167.2-127.2 118.5 -66.5 -5.1 -13.5 62 65 A C E +C 53 0A 12 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.655 48.3 55.2-105.9 161.7 -62.9 -5.0 -12.2 63 66 A E S > S- 0 0 31 -11,-0.8 4,-2.8 -2,-0.2 3,-0.2 0.767 77.8-118.3 76.7 112.6 -61.4 -5.3 -8.6 64 67 A S H > S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.868 109.3 42.4 -51.9 -55.7 -62.6 -8.3 -6.7 65 68 A L H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.869 113.4 53.3 -66.3 -35.5 -64.4 -6.8 -3.8 66 69 A I H > S+ 0 0 16 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 109.8 50.0 -57.3 -42.2 -66.1 -4.2 -6.1 67 70 A A H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.913 108.0 53.0 -64.6 -36.8 -67.2 -7.2 -8.2 68 71 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.947 110.4 46.5 -63.8 -46.2 -68.6 -8.9 -5.1 69 72 A Q H X S+ 0 0 14 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.930 110.3 53.9 -60.2 -46.1 -70.6 -5.9 -4.1 70 73 A Y H X S+ 0 0 10 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.956 110.7 46.2 -47.5 -52.3 -71.8 -5.7 -7.7 71 74 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.924 111.9 52.2 -58.7 -46.6 -72.9 -9.3 -7.4 72 75 A E H < S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.7 43.8 -54.0 -44.6 -74.5 -8.5 -4.1 73 76 A E H >< S+ 0 0 42 -4,-3.0 3,-0.5 1,-0.2 -1,-0.2 0.830 118.2 42.2 -79.6 -26.4 -76.5 -5.6 -5.4 74 77 A V H 3< S+ 0 0 39 -4,-2.2 2,-0.7 -5,-0.3 3,-0.2 0.924 120.8 38.4 -85.6 -49.9 -77.7 -7.2 -8.7 75 78 A W T >< S+ 0 0 38 -4,-2.7 3,-0.6 -5,-0.2 -1,-0.3 -0.530 77.7 137.0 -95.6 58.1 -78.6 -10.6 -7.4 76 79 A N T < + 0 0 110 -2,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.461 43.0 91.4 -86.2 -6.8 -80.0 -9.1 -4.2 77 80 A D T 3 S+ 0 0 100 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.732 97.3 9.4 -61.7 -30.4 -83.0 -11.3 -4.2 78 81 A R S < S+ 0 0 120 -3,-0.6 -1,-0.1 1,-0.2 -3,-0.0 -0.975 109.2 26.6-149.6 166.3 -81.3 -14.0 -2.0 79 82 A N S S- 0 0 73 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.938 71.1-138.7 47.4 72.2 -78.3 -14.8 0.2 80 83 A P - 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.315 18.8-169.7 -67.7 130.5 -77.2 -11.4 1.4 81 84 A L S S+ 0 0 4 67,-0.1 68,-2.5 -13,-0.1 69,-0.2 0.632 73.0 36.9 -93.1 -18.0 -73.4 -11.0 1.4 82 85 A L S S- 0 0 16 66,-0.2 7,-0.1 67,-0.1 -1,-0.1 -0.951 91.2-101.9-130.7 155.7 -73.4 -7.6 3.3 83 86 A P - 0 0 28 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.256 20.7-134.7 -73.2 161.5 -75.6 -6.4 6.2 84 87 A S S S+ 0 0 109 -4,-0.1 3,-0.0 4,-0.0 0, 0.0 0.853 78.8 93.4 -90.6 -32.1 -78.4 -4.0 5.5 85 88 A D S > S- 0 0 66 1,-0.1 4,-3.2 4,-0.0 5,-0.2 -0.369 75.2-137.6 -55.2 123.6 -77.7 -1.6 8.4 86 89 A P H > S+ 0 0 31 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 102.5 49.4 -54.5 -42.8 -75.4 1.2 7.1 87 90 A Y H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.961 113.8 44.6 -64.4 -50.5 -73.2 1.2 10.2 88 91 A Q H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 112.7 54.1 -52.5 -46.9 -72.8 -2.6 10.1 89 92 A R H X S+ 0 0 44 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.876 106.5 51.2 -59.7 -37.7 -72.2 -2.3 6.3 90 93 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.935 110.0 49.8 -63.7 -45.6 -69.5 0.3 7.0 91 94 A Q H X S+ 0 0 47 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.930 109.8 48.7 -63.0 -41.3 -67.8 -2.1 9.4 92 95 A T H X S+ 0 0 29 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.923 112.3 50.1 -69.7 -34.1 -67.8 -5.1 7.1 93 96 A R H X S+ 0 0 10 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.901 108.7 54.4 -59.9 -39.1 -66.4 -2.8 4.4 94 97 A F H X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.918 110.3 43.7 -61.6 -47.5 -63.7 -1.7 6.9 95 98 A W H X S+ 0 0 23 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.876 113.6 49.2 -71.2 -35.9 -62.6 -5.2 7.7 96 99 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.865 110.6 52.3 -66.3 -37.6 -62.5 -6.4 4.0 97 100 A D H X S+ 0 0 36 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.893 105.5 55.9 -62.1 -39.5 -60.6 -3.3 3.2 98 101 A Y H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 5,-0.3 0.918 104.1 52.0 -59.2 -43.5 -58.2 -4.3 6.0 99 102 A V H X>S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 5,-0.6 0.915 109.9 49.9 -59.0 -44.9 -57.7 -7.7 4.2 100 103 A D H <5S+ 0 0 52 -4,-1.9 5,-0.3 1,-0.2 -1,-0.2 0.878 112.5 47.7 -59.3 -40.9 -56.8 -5.8 1.0 101 104 A K H <5S+ 0 0 78 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.887 126.5 18.5 -68.8 -38.2 -54.4 -3.6 2.8 102 105 A K H X5S+ 0 0 58 -4,-2.1 4,-2.4 -5,-0.2 5,-0.4 0.919 109.0 55.7-104.3 -56.3 -52.5 -6.2 4.7 103 106 A I H X5S+ 0 0 0 -4,-1.4 4,-3.1 -5,-0.3 5,-0.2 0.914 103.6 43.7 -67.2 -57.0 -52.7 -9.9 3.7 104 107 A Y H > S+ 0 0 81 -5,-0.3 4,-2.2 2,-0.3 -1,-0.2 0.910 116.6 44.2 -79.9 -45.9 -48.6 -7.9 0.4 106 109 A L H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.948 113.2 58.6 -57.5 -45.8 -47.3 -9.0 3.8 107 110 A G H X S+ 0 0 0 -4,-3.1 4,-1.7 -5,-0.4 -2,-0.3 0.930 108.4 41.2 -41.5 -59.6 -47.9 -12.4 2.3 108 111 A R H X S+ 0 0 90 -4,-2.4 4,-1.5 1,-0.2 5,-0.4 0.806 109.4 57.9 -74.0 -26.0 -45.6 -11.8 -0.6 109 112 A K H >X S+ 0 0 82 -4,-2.2 4,-3.9 2,-0.2 3,-0.7 0.969 105.1 53.9 -59.6 -50.2 -43.0 -10.1 1.4 110 113 A I H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.7 37.8 -46.7 -51.3 -42.9 -13.3 3.5 111 114 A W H 3< S+ 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.568 131.5 26.2 -88.0 -6.1 -42.3 -15.5 0.4 112 115 A T H << S+ 0 0 48 -4,-1.5 -3,-0.2 -3,-0.7 -2,-0.2 0.663 98.0 98.2-117.2 -28.8 -39.9 -13.0 -1.4 113 116 A S < - 0 0 15 -4,-3.9 -4,-0.0 -5,-0.4 -3,-0.0 0.123 62.1-119.7 -78.7-170.3 -38.2 -10.8 1.1 114 117 A K - 0 0 167 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.977 47.0 -67.4-102.1 -75.5 -34.9 -10.9 2.8 115 118 A G S > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.126 120.4 18.3-155.3 -79.5 -34.0 -11.1 6.5 116 119 A E H > S+ 0 0 178 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.864 129.2 52.3 -74.1 -37.6 -34.9 -8.2 8.7 117 120 A E H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.845 112.7 46.6 -63.5 -33.1 -37.4 -7.1 6.0 118 121 A K H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.813 110.2 51.8 -76.0 -36.0 -38.8 -10.7 6.2 119 122 A E H X S+ 0 0 105 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.871 109.4 50.1 -70.8 -36.1 -38.9 -10.7 10.0 120 123 A A H X S+ 0 0 47 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.895 110.8 49.5 -67.9 -40.6 -40.8 -7.5 10.1 121 124 A A H X S+ 0 0 2 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.923 109.1 52.6 -64.9 -44.3 -43.3 -8.8 7.5 122 125 A K H X S+ 0 0 25 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.906 110.9 47.6 -55.5 -45.8 -43.8 -12.0 9.5 123 126 A K H X S+ 0 0 136 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.977 113.5 46.2 -63.0 -54.9 -44.6 -10.0 12.6 124 127 A E H X S+ 0 0 91 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.893 110.1 56.3 -54.5 -42.5 -47.0 -7.7 10.8 125 128 A F H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.940 108.7 43.6 -56.9 -53.1 -48.7 -10.7 9.2 126 129 A I H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.843 111.9 57.6 -65.3 -28.8 -49.5 -12.6 12.4 127 130 A E H X S+ 0 0 99 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.938 105.4 48.2 -61.3 -46.6 -50.6 -9.2 13.9 128 131 A A H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.934 110.9 51.3 -61.8 -43.2 -53.2 -8.7 11.1 129 132 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.902 109.7 49.5 -61.4 -39.6 -54.5 -12.2 11.6 130 133 A K H X S+ 0 0 94 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.904 111.0 49.8 -65.3 -42.0 -54.9 -11.7 15.3 131 134 A L H >X S+ 0 0 50 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.954 113.2 45.9 -60.8 -48.7 -56.7 -8.5 14.7 132 135 A L H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.775 109.6 58.3 -63.4 -27.4 -59.0 -10.3 12.2 133 136 A E H 3X S+ 0 0 28 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.802 103.6 49.3 -74.1 -33.9 -59.4 -13.1 14.7 134 137 A E H X< S+ 0 0 150 -4,-1.8 3,-0.5 -3,-0.5 -2,-0.2 0.969 101.4 64.8 -78.5 -48.9 -60.8 -10.8 17.4 135 138 A Q T 3< S+ 0 0 75 -4,-1.7 2,-0.4 1,-0.2 7,-0.1 -0.479 102.3 46.8 -49.3 140.6 -63.3 -9.3 15.2 136 139 A L T 34 S- 0 0 2 6,-0.1 2,-0.5 2,-0.1 -1,-0.2 -0.596 77.5-167.5 114.5 -72.0 -65.3 -12.5 14.6 137 140 A G << - 0 0 36 -4,-0.8 2,-0.2 -3,-0.5 3,-0.1 -0.991 68.6 -54.3 113.7-120.5 -65.9 -14.2 17.9 138 141 A D S S+ 0 0 137 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 -0.336 88.0 149.3 2.8 89.8 -66.9 -17.1 17.5 139 142 A K - 0 0 84 -2,-0.2 -1,-0.1 5,-0.1 6,-0.1 -0.615 64.2-115.1 -97.4 167.3 -69.5 -16.0 15.4 140 143 A T S S+ 0 0 57 -2,-0.3 2,-0.3 1,-0.1 5,-0.2 0.901 94.2 3.1 -71.7 -31.5 -69.6 -19.1 13.2 141 144 A Y B > S-D 144 0B 25 3,-1.8 3,-0.9 5,-0.1 -1,-0.1 -0.860 84.1-102.7-132.6 173.0 -68.5 -16.9 10.2 142 145 A F T 3 S+ 0 0 22 -2,-0.3 -6,-0.1 1,-0.2 5,-0.1 0.814 126.0 55.0 -61.9 -29.6 -67.5 -13.3 9.9 143 146 A G T 3 S- 0 0 48 3,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.693 116.5-117.6 -72.3 -20.1 -71.0 -12.9 8.4 144 147 A G B < S-D 141 0B 17 -3,-0.9 -3,-1.8 1,-0.1 -1,-0.3 -0.990 86.4 -3.1 112.1-126.6 -72.7 -14.5 11.4 145 148 A D S S+ 0 0 132 -2,-0.5 2,-0.3 -5,-0.2 -1,-0.1 0.509 137.3 43.2 -77.8 -7.5 -74.6 -17.7 10.6 146 149 A N S S- 0 0 97 -5,-0.1 -3,-0.3 -66,-0.0 -5,-0.1 -0.921 99.5 -85.4-133.1 160.0 -73.7 -17.3 6.9 147 150 A L - 0 0 4 -2,-0.3 2,-0.3 -4,-0.2 -2,-0.1 -0.401 52.1-175.9 -57.9 137.9 -70.7 -16.3 4.9 148 151 A G > - 0 0 6 -4,-0.1 4,-2.5 -2,-0.1 3,-0.4 -0.785 42.7 -76.6-129.5-177.0 -70.4 -12.6 4.5 149 152 A F H > S+ 0 0 6 -68,-2.5 4,-2.9 1,-0.3 5,-0.2 0.842 126.7 49.7 -47.8 -47.7 -68.3 -10.1 2.7 150 153 A V H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.922 109.5 50.8 -66.7 -42.1 -65.4 -10.4 5.1 151 154 A D H > S+ 0 0 0 -3,-0.4 4,-3.0 1,-0.2 3,-0.5 0.954 114.1 45.9 -54.6 -50.6 -65.3 -14.3 4.9 152 155 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.1 51.4 -57.3 -44.0 -65.3 -14.0 1.1 153 156 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.843 124.3 25.7 -58.8 -33.0 -62.6 -11.3 1.2 154 157 A L H >< S+ 0 0 2 -4,-1.7 3,-1.7 -3,-0.5 4,-0.4 0.770 99.3 73.9-113.6 -40.6 -60.3 -13.4 3.4 155 158 A V G >< S+ 0 0 1 -4,-3.0 3,-1.8 -5,-0.3 4,-0.5 0.834 86.3 69.5 -55.3 -34.4 -60.8 -17.1 3.2 156 159 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.855 90.2 64.5 -54.1 -29.5 -59.1 -17.4 -0.2 157 160 A F G X> S+ 0 0 1 -3,-1.7 3,-2.1 1,-0.3 4,-0.7 0.751 81.9 76.0 -67.3 -23.1 -55.8 -16.6 1.5 158 161 A Y G X4 S+ 0 0 33 -3,-1.8 3,-1.0 -4,-0.4 4,-0.4 0.833 86.4 63.6 -51.6 -33.6 -56.0 -19.8 3.5 159 162 A T G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.5 43,-0.2 0.731 100.7 51.9 -67.5 -17.5 -54.9 -21.5 0.3 160 163 A W G X> S+ 0 0 6 -3,-2.1 4,-2.5 -4,-0.3 3,-0.6 0.579 83.8 94.0 -92.9 -12.6 -51.6 -19.6 0.4 161 164 A F H S+ 0 0 86 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.920 113.5 43.7 -51.6 -43.3 -48.7 -23.6 3.2 163 166 A A H <>>S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.2 5,-0.5 0.923 111.0 52.2 -64.1 -51.7 -46.5 -21.2 1.2 164 167 A Y H X5S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.964 115.7 42.7 -51.6 -50.7 -46.5 -18.5 3.8 165 168 A E H X>S+ 0 0 50 -4,-3.0 5,-1.7 2,-0.2 4,-1.0 0.880 114.0 46.8 -66.2 -41.9 -45.4 -21.0 6.4 166 169 A T H <5S+ 0 0 78 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.905 124.0 32.6 -73.0 -39.2 -42.7 -23.0 4.5 167 170 A F H <5S+ 0 0 29 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.714 121.5 50.0 -86.8 -23.2 -40.9 -20.0 3.1 168 171 A G H < - 0 0 84 -2,-0.3 4,-0.6 1,-0.1 -5,-0.0 -0.939 11.6-176.8-115.3 127.2 -46.6 -21.5 12.0 172 175 A I H >> S+ 0 0 0 -2,-0.5 4,-2.5 2,-0.2 3,-0.7 0.886 84.1 57.3 -89.2 -44.2 -50.1 -19.9 11.9 173 176 A E H 34 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.708 101.6 67.1 -59.8 -15.5 -52.2 -22.4 13.7 174 177 A S H 34 S+ 0 0 86 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.938 114.1 21.6 -67.4 -51.1 -49.7 -21.8 16.4 175 178 A E H << S+ 0 0 86 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.612 133.4 38.5 -95.0 -17.8 -50.7 -18.2 17.1 176 179 A C X + 0 0 0 -4,-2.5 4,-2.3 1,-0.1 -1,-0.2 -0.440 55.8 153.3-136.8 63.3 -54.2 -18.3 15.7 177 180 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.927 81.0 52.0 -54.8 -46.4 -56.0 -21.5 16.5 178 181 A K H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.895 108.9 51.5 -63.1 -37.4 -59.4 -19.8 16.3 179 182 A F H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 109.3 49.8 -58.6 -48.1 -58.5 -18.3 12.9 180 183 A I H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 109.1 51.7 -63.6 -40.7 -57.5 -21.7 11.6 181 184 A A H X S+ 0 0 36 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.901 108.2 52.7 -59.3 -40.6 -60.8 -23.3 12.8 182 185 A W H >X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 3,-1.1 0.985 108.4 48.8 -59.5 -54.9 -62.7 -20.5 11.0 183 186 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.902 112.3 50.8 -47.6 -44.7 -61.0 -21.2 7.7 184 187 A K H 3< S+ 0 0 98 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.794 106.6 52.3 -67.1 -29.7 -61.8 -24.8 8.2 185 188 A R H X< S+ 0 0 69 -4,-1.8 3,-1.7 -3,-1.1 4,-0.3 0.939 109.0 51.9 -71.1 -43.8 -65.5 -24.2 8.9 186 189 A C H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 6,-0.4 0.846 101.0 59.9 -56.9 -41.5 -65.6 -22.2 5.7 187 190 A L T 3< S+ 0 0 44 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.560 92.3 69.8 -69.9 -3.7 -64.1 -25.1 3.7 188 191 A Q T < S+ 0 0 160 -3,-1.7 2,-0.4 -5,-0.2 -1,-0.3 0.695 83.5 91.1 -80.8 -17.5 -67.1 -27.1 4.9 189 192 A K S X> S- 0 0 61 -3,-2.1 4,-3.0 -4,-0.3 3,-0.9 -0.628 75.8-139.9 -83.9 132.4 -69.2 -25.0 2.6 190 193 A E H 3> S+ 0 0 138 -2,-0.4 4,-2.0 1,-0.3 5,-0.3 0.902 103.6 59.0 -51.1 -46.0 -69.8 -26.1 -1.0 191 194 A S H 34 S+ 0 0 8 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.793 115.5 34.9 -63.1 -24.8 -69.5 -22.6 -2.2 192 195 A V H <> S+ 0 0 0 -3,-0.9 4,-1.5 -6,-0.4 3,-0.3 0.862 111.5 56.5 -95.7 -36.5 -66.0 -22.4 -0.7 193 196 A A H < S+ 0 0 53 -4,-3.0 3,-0.2 -7,-0.3 -3,-0.2 0.891 111.3 47.0 -56.9 -41.4 -64.6 -25.9 -1.3 194 197 A K T < S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 0.754 112.8 47.6 -71.4 -30.2 -65.3 -25.6 -5.0 195 198 A S T 4 S+ 0 0 6 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.683 101.6 74.1 -88.3 -17.3 -63.8 -22.2 -5.4 196 199 A L < - 0 0 17 -4,-1.5 3,-0.1 -3,-0.2 2,-0.1 -0.835 67.6-144.8-105.0 127.4 -60.5 -22.9 -3.5 197 200 A P - 0 0 28 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.342 41.0 -80.3 -74.7 171.3 -57.6 -25.0 -4.8 198 201 A D > - 0 0 110 1,-0.1 4,-1.7 -2,-0.1 5,-0.2 -0.414 29.6-124.9 -67.4 143.4 -55.6 -27.1 -2.4 199 202 A Q H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -36,-0.2 0.860 113.6 56.3 -52.8 -40.6 -52.9 -25.5 -0.3 200 203 A Q H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 103.6 53.7 -57.2 -47.7 -50.4 -28.1 -1.8 201 204 A K H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.887 110.8 44.7 -55.5 -45.8 -51.3 -26.9 -5.4 202 205 A V H X S+ 0 0 0 -4,-1.7 4,-3.1 -43,-0.2 -1,-0.2 0.830 106.9 59.7 -73.6 -28.2 -50.6 -23.2 -4.6 203 206 A Y H X S+ 0 0 43 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.957 107.4 46.8 -58.0 -50.8 -47.4 -24.1 -2.8 204 207 A E H X S+ 0 0 84 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.863 110.6 52.9 -60.8 -39.4 -46.1 -25.7 -6.0 205 208 A F H X S+ 0 0 47 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.980 113.5 41.9 -56.8 -56.0 -47.2 -22.7 -7.9 206 209 A I H X S+ 0 0 0 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.865 110.8 59.0 -60.4 -37.8 -45.3 -20.3 -5.6 207 210 A M H >< S+ 0 0 74 -4,-3.1 3,-0.6 2,-0.2 4,-0.4 0.969 112.8 37.3 -52.1 -60.7 -42.3 -22.8 -5.6 208 211 A D H >X S+ 0 0 103 -4,-2.5 4,-1.6 1,-0.2 3,-1.6 0.904 114.7 55.0 -62.4 -42.3 -42.0 -22.5 -9.3 209 212 A L H 3< S+ 0 0 34 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 101.7 60.9 -58.2 -26.6 -42.8 -18.8 -9.3 210 213 A R T - 0 0 33 -2,-0.3 3,-2.5 24,-0.2 6,-0.2 -0.966 35.3-120.8-142.2 127.1 -56.2 17.3 10.2 228 11 B W T 3 S+ 0 0 86 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.722 104.7 41.8 -52.0 -38.7 -56.6 20.4 8.0 229 12 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 0.507 83.8 119.3 -91.4 4.2 -54.4 19.6 5.1 230 13 B S <> - 0 0 12 -3,-2.5 4,-2.3 1,-0.2 -3,-0.1 -0.473 50.0-159.8 -66.9 119.9 -55.5 15.9 4.8 231 14 B P H > S+ 0 0 1 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.817 96.0 56.1 -68.9 -27.9 -57.1 15.2 1.4 232 15 B F H > S+ 0 0 54 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.950 108.5 46.9 -63.0 -48.5 -58.7 12.2 2.9 233 16 B G H >> S+ 0 0 0 1,-0.2 4,-2.0 -6,-0.2 3,-0.7 0.938 105.6 60.3 -56.6 -45.5 -60.2 14.4 5.6 234 17 B M H 3X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.851 96.3 62.3 -52.9 -38.0 -61.4 16.8 2.9 235 18 B R H 3X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.5 -1,-0.3 0.930 105.2 44.2 -53.9 -49.9 -63.4 14.1 1.4 236 19 B V H S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-0.5 0.933 115.9 44.7 -63.3 -45.7 -70.9 16.4 5.0 241 24 B A H ><5S+ 0 0 25 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.959 110.8 54.1 -64.5 -51.2 -71.3 19.9 3.5 242 25 B E H 3<5S+ 0 0 21 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.9 45.2 -47.8 -37.9 -72.9 18.6 0.3 243 26 B K H 3<5S- 0 0 17 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.554 111.8-123.5 -84.6 -8.5 -75.5 16.8 2.4 244 27 B G T <<5 + 0 0 66 -3,-1.9 2,-0.5 -4,-0.5 -3,-0.2 0.772 56.3 154.1 67.4 29.5 -76.0 19.9 4.6 245 28 B I < - 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0 0 75 -3,-0.4 -3,-0.1 -5,-0.1 -5,-0.0 -0.310 21.1-112.5 -63.1 138.6 -52.5 11.7 18.5 258 41 B S > - 0 0 27 1,-0.1 4,-1.7 -5,-0.0 -1,-0.1 -0.212 13.8-122.1 -66.9 153.0 -55.4 12.2 21.0 259 42 B P T 4 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.916 115.8 59.5 -57.4 -37.4 -56.5 9.4 23.2 260 43 B L T >> S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.928 107.0 43.4 -53.4 -51.3 -59.9 9.9 21.6 261 44 B L H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.857 106.7 64.0 -61.9 -31.6 -58.5 9.1 18.1 262 45 B L H 3< S+ 0 0 74 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.378 112.8 34.1 -60.2 0.3 -56.6 6.2 19.6 263 46 B Q H <4 S+ 0 0 141 -3,-0.9 -2,-0.2 -4,-0.1 -1,-0.2 0.732 112.7 54.9-160.2 -68.4 -59.7 4.6 20.4 264 47 B M H < S+ 0 0 26 -4,-1.5 -2,-0.2 1,-0.1 -3,-0.2 0.642 126.4 23.3 22.7 -82.3 -61.8 5.6 17.8 265 48 B N S X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 -0.479 70.6 154.5-129.3 61.9 -59.3 4.2 15.2 266 49 B P T 4 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.816 71.3 53.5 -66.7 -25.8 -57.2 1.6 17.0 267 50 B V T 4 S+ 0 0 35 -3,-0.1 -2,-0.1 1,-0.1 -5,-0.0 0.989 129.0 10.3 -73.6 -49.1 -56.4 -0.3 13.9 268 51 B H T 4 S- 0 0 24 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.668 79.6-146.1-101.0 -19.0 -54.9 2.4 11.7 269 52 B K < + 0 0 96 -4,-2.5 2,-0.3 1,-0.2 -7,-0.1 0.846 58.3 125.6 51.1 41.3 -54.6 5.4 14.1 270 53 B K - 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0 0 14 -4,-3.1 2,-0.3 -5,-0.3 -4,-0.0 -0.264 62.1-142.1 -87.4 171.2 -37.9 11.1 -3.6 334 117 B K >> - 0 0 68 -2,-0.1 4,-1.0 -3,-0.0 3,-0.9 -0.833 49.7 -16.2-130.5 164.1 -34.9 11.9 -5.8 335 118 B G H 3> S- 0 0 51 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.084 122.6 -3.8 47.5-126.4 -33.5 11.3 -9.3 336 119 B E H 3> S+ 0 0 174 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.804 130.2 59.3 -72.8 -33.9 -35.0 8.4 -11.3 337 120 B E H <> S+ 0 0 125 -3,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.867 112.7 43.9 -59.4 -34.7 -37.3 7.1 -8.5 338 121 B K H X S+ 0 0 40 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.812 109.6 54.5 -75.9 -38.5 -38.8 10.6 -8.8 339 122 B E H X S+ 0 0 101 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.867 108.7 48.9 -66.8 -34.8 -38.9 10.7 -12.6 340 123 B A H X S+ 0 0 43 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.926 111.1 50.1 -71.2 -44.0 -40.9 7.5 -12.8 341 124 B A H X S+ 0 0 2 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.884 107.4 55.5 -60.4 -40.8 -43.3 8.8 -10.2 342 125 B K H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.928 111.5 41.9 -59.6 -46.3 -43.7 12.0 -12.2 343 126 B K H X S+ 0 0 127 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.955 114.7 50.9 -70.5 -42.6 -44.7 10.2 -15.4 344 127 B E H >X S+ 0 0 80 -4,-2.9 4,-0.9 1,-0.2 3,-0.6 0.886 109.4 52.5 -57.2 -41.0 -46.9 7.7 -13.5 345 128 B F H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.874 106.1 52.0 -60.7 -44.9 -48.7 10.7 -11.8 346 129 B I H 3X S+ 0 0 21 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.684 110.4 50.5 -68.8 -11.2 -49.4 12.5 -15.0 347 130 B E H S-H 364 0D 35 3,-1.3 3,-1.5 -2,-0.6 5,-0.1 -0.915 86.2-117.3-124.9 164.0 -68.5 16.9 -12.8 362 145 B F T 3 S+ 0 0 14 -2,-0.3 5,-0.1 1,-0.3 3,-0.1 0.856 119.2 57.4 -60.6 -35.8 -67.5 13.2 -12.6 363 146 B G T 3 S- 0 0 44 3,-0.2 2,-0.6 1,-0.2 3,-0.3 0.390 117.7-116.0 -75.1 5.2 -71.0 12.7 -11.1 364 147 B G B < S-H 361 0D 18 -3,-1.5 -3,-1.3 1,-0.2 -1,-0.2 -0.865 85.4 -6.3 93.2-123.3 -72.6 14.3 -14.1 365 148 B D S S+ 0 0 134 -2,-0.6 2,-0.3 -5,-0.1 -1,-0.2 0.492 135.4 50.3 -88.5 -3.2 -74.5 17.5 -13.4 366 149 B N S S- 0 0 97 -3,-0.3 -3,-0.2 -5,-0.1 2,-0.1 -0.906 99.1 -89.9-128.8 157.9 -73.9 17.1 -9.7 367 150 B L - 0 0 4 -2,-0.3 2,-0.2 -5,-0.1 -2,-0.1 -0.426 53.5-174.1 -59.2 135.3 -70.9 16.4 -7.6 368 151 B G > - 0 0 4 -2,-0.1 4,-2.7 -4,-0.1 3,-0.4 -0.785 40.2 -76.7-130.4-177.5 -70.4 12.7 -7.1 369 152 B F H > S+ 0 0 7 -68,-2.6 4,-2.4 1,-0.3 5,-0.1 0.843 126.4 45.1 -48.4 -45.6 -68.4 10.1 -5.3 370 153 B V H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.877 108.7 53.9 -78.3 -31.5 -65.3 10.5 -7.5 371 154 B D H > S+ 0 0 0 -3,-0.4 4,-3.0 1,-0.2 3,-0.4 0.963 114.0 46.5 -52.8 -49.3 -65.3 14.3 -7.6 372 155 B I H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.895 111.7 49.1 -61.2 -43.0 -65.3 14.0 -3.8 373 156 B A H < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.832 124.4 29.6 -62.4 -31.3 -62.5 11.3 -3.8 374 157 B L H >< S+ 0 0 2 -4,-1.8 3,-1.4 -3,-0.4 4,-0.3 0.792 98.8 71.3-107.7 -42.2 -60.3 13.4 -6.1 375 158 B V G >< S+ 0 0 2 -4,-3.0 3,-1.9 1,-0.3 4,-0.5 0.802 87.7 68.3 -59.5 -30.4 -60.8 17.2 -5.8 376 159 B P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.894 90.6 64.7 -57.1 -33.1 -59.1 17.4 -2.4 377 160 B F G X S+ 0 0 1 -3,-1.4 3,-1.4 1,-0.3 4,-0.3 0.681 82.1 77.6 -63.3 -17.2 -55.9 16.5 -4.1 378 161 B Y G X S+ 0 0 38 -3,-1.9 3,-1.4 -4,-0.3 4,-0.4 0.838 85.9 61.8 -55.8 -34.1 -56.0 19.8 -6.1 379 162 B T G < S+ 0 0 3 -3,-1.8 -1,-0.3 -4,-0.5 4,-0.2 0.724 99.6 54.6 -68.9 -18.4 -54.9 21.5 -2.9 380 163 B W G <> S+ 0 0 6 -3,-1.4 4,-2.4 -4,-0.3 3,-0.3 0.485 83.9 93.9 -89.0 -4.4 -51.6 19.5 -3.1 381 164 B F H <> S+ 0 0 3 -3,-1.4 4,-3.4 -4,-0.3 5,-0.3 0.885 76.4 54.6 -62.1 -47.8 -50.9 20.7 -6.6 382 165 B K H > S+ 0 0 80 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.898 113.6 46.3 -53.6 -41.2 -48.6 23.7 -5.9 383 166 B A H >>S+ 0 0 0 -3,-0.3 4,-2.1 -4,-0.2 5,-0.6 0.925 111.5 49.6 -62.5 -50.9 -46.5 21.2 -3.9 384 167 B Y H X5S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 6,-0.2 0.945 115.8 44.7 -55.9 -48.6 -46.4 18.5 -6.5 385 168 B E H X>S+ 0 0 47 -4,-3.4 4,-1.6 3,-0.2 5,-1.3 0.895 114.6 45.5 -65.1 -43.1 -45.5 21.1 -9.1 386 169 B T H <5S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.968 124.6 30.4 -71.8 -52.1 -42.8 22.9 -7.1 387 170 B F H <5S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.732 123.5 52.1 -73.8 -24.1 -40.9 19.9 -5.7 388 171 B G H < - 0 0 86 -2,-0.3 4,-0.8 1,-0.1 3,-0.1 -0.953 10.0-174.9-135.2 113.1 -46.8 21.5 -14.6 392 175 B I H >> S+ 0 0 0 -2,-0.5 4,-3.0 1,-0.2 3,-0.6 0.865 81.6 59.8 -78.6 -39.9 -50.1 19.8 -14.5 393 176 B E H 34 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.806 102.9 55.6 -59.0 -28.3 -52.2 22.4 -16.3 394 177 B S H 34 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.841 117.2 33.9 -76.8 -30.5 -49.9 22.1 -19.3 395 178 B E H << S+ 0 0 93 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.732 132.5 28.1 -86.7 -30.6 -50.6 18.3 -19.5 396 179 B C X + 0 0 0 -4,-3.0 4,-2.5 1,-0.1 -1,-0.2 -0.523 57.8 157.1-139.7 72.2 -54.2 18.3 -18.3 397 180 B P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.879 82.8 51.3 -63.4 -42.5 -56.2 21.5 -19.1 398 181 B K H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.917 110.7 50.8 -61.2 -42.2 -59.6 19.7 -18.9 399 182 B F H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 112.4 44.5 -57.3 -51.5 -58.5 18.3 -15.5 400 183 B I H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.926 111.2 54.6 -64.3 -40.2 -57.5 21.7 -14.1 401 184 B A H X S+ 0 0 37 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.862 109.0 48.7 -61.0 -35.2 -60.7 23.2 -15.5 402 185 B W H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.931 108.4 51.7 -71.0 -43.9 -62.8 20.6 -13.7 403 186 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.962 111.2 50.9 -52.3 -46.5 -60.9 21.2 -10.4 404 187 B K H < S+ 0 0 102 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.844 107.1 52.2 -61.7 -33.4 -61.7 24.9 -11.0 405 188 B R H >< S+ 0 0 54 -4,-1.6 3,-2.1 1,-0.2 4,-0.3 0.970 109.4 49.4 -67.0 -49.7 -65.4 24.1 -11.6 406 189 B C H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 7,-0.4 0.820 101.1 64.3 -52.7 -39.1 -65.7 22.2 -8.3 407 190 B L T 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.622 93.4 62.1 -68.1 -10.7 -64.1 25.0 -6.5 408 191 B Q T < S+ 0 0 170 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.591 85.0 91.3 -87.2 -11.5 -67.0 27.3 -7.3 409 192 B K S X> S- 0 0 47 -3,-2.0 4,-2.3 -4,-0.3 3,-1.9 -0.754 79.0-136.6 -90.7 125.9 -69.3 25.0 -5.4 410 193 B E H 3> S+ 0 0 147 -2,-0.5 4,-1.5 1,-0.3 5,-0.2 0.758 101.5 58.8 -58.2 -30.0 -69.6 26.1 -1.8 411 194 B S H 34 S+ 0 0 12 2,-0.2 -1,-0.3 1,-0.1 4,-0.2 0.775 114.7 38.9 -72.0 -20.9 -69.3 22.6 -0.3 412 195 B V H X> S+ 0 0 0 -3,-1.9 4,-1.7 -6,-0.4 3,-0.8 0.907 113.7 50.4 -89.9 -50.5 -65.9 22.3 -2.0 413 196 B A H 3< S+ 0 0 48 -4,-2.3 -3,-0.2 -7,-0.4 -2,-0.2 0.834 113.4 47.7 -54.2 -36.3 -64.5 25.9 -1.5 414 197 B K T 3< S+ 0 0 124 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.1 0.677 112.8 47.1 -86.9 -17.4 -65.3 25.8 2.2 415 198 B S T <4 S+ 0 0 4 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.691 101.4 75.8 -94.8 -19.6 -63.8 22.3 2.8 416 199 B L < - 0 0 14 -4,-1.7 3,-0.1 -179,-0.1 2,-0.1 -0.818 69.0-144.5-102.0 125.9 -60.5 22.9 0.9 417 200 B P - 0 0 29 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.330 41.5 -81.3 -72.1 168.4 -57.6 25.0 2.2 418 201 B D > - 0 0 112 1,-0.1 4,-1.7 -2,-0.1 3,-0.2 -0.440 29.3-122.5 -72.9 144.3 -55.6 27.1 -0.2 419 202 B Q H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 113.1 56.3 -47.8 -46.5 -52.9 25.5 -2.3 420 203 B Q H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 103.0 53.1 -53.0 -48.6 -50.4 28.0 -0.8 421 204 B K H > S+ 0 0 122 1,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.894 112.1 44.9 -58.9 -42.2 -51.2 26.9 2.8 422 205 B V H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.856 107.5 56.9 -73.7 -33.0 -50.5 23.3 2.0 423 206 B Y H X S+ 0 0 52 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.954 108.7 49.7 -54.1 -48.3 -47.3 24.1 0.1 424 207 B E H X S+ 0 0 85 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.843 109.7 49.8 -60.4 -38.6 -46.2 25.7 3.3 425 208 B F H X S+ 0 0 48 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.962 113.8 44.5 -63.2 -52.1 -47.1 22.7 5.3 426 209 B I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.810 106.6 63.1 -61.6 -33.1 -45.2 20.4 3.0 427 210 B M H X S+ 0 0 55 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.966 109.5 38.2 -55.4 -54.6 -42.4 22.9 3.0 428 211 B D H X S+ 0 0 96 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.858 113.4 56.7 -66.0 -38.7 -41.9 22.3 6.8 429 212 B L H X S+ 0 0 51 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.876 105.9 51.4 -60.0 -37.3 -42.5 18.6 6.4 430 213 B R H X S+ 0 0 41 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.877 108.3 49.8 -69.8 -40.3 -39.7 18.3 3.9 431 214 B K H < S+ 0 0 157 -4,-1.5 5,-0.2 2,-0.2 -2,-0.2 0.985 107.2 55.9 -59.5 -57.6 -37.2 20.1 6.0 432 215 B K H < S+ 0 0 153 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 123.7 25.0 -32.8 -64.1 -38.1 17.8 8.9 433 216 B L H < S- 0 0 95 -4,-2.0 2,-0.2 1,-0.1 -2,-0.2 0.994 110.8-167.3 -67.6 -65.7 -37.3 14.7 6.8 434 217 B G S < S+ 0 0 23 -4,-3.1 -1,-0.1 2,-0.2 -2,-0.1 -0.667 72.3 147.7 116.2 177.1 -34.8 15.9 4.1 435 218 B I 0 0 147 -2,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.363 360.0 360.0 -99.9 119.2 -33.0 16.3 1.8 436 219 B E 0 0 196 -5,-0.2 -2,-0.2 -6,-0.1 -3,-0.1 -0.537 360.0 360.0 67.6 360.0 -33.3 20.1 1.6