==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUN-00 1F3A . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE YA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Y.GU,S.V.SINGH,X.JI . 442 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 2 0.5 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 . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 2 3 1 4 2 0 2 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 1 A A 0 0 154 0, 0.0 58,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.9 43.9 -20.4 21.8 2 2 A G + 0 0 75 1,-0.5 58,-0.2 0, 0.0 3,-0.0 0.434 360.0 13.4-123.5 -97.5 46.5 -18.1 20.1 3 3 A K S S- 0 0 101 1,-0.1 -1,-0.5 56,-0.1 26,-0.2 -0.535 82.9 -98.5 -88.2 153.6 45.9 -15.4 17.5 4 4 A P - 0 0 9 0, 0.0 26,-2.5 0, 0.0 2,-0.6 -0.480 35.8-141.6 -68.1 145.1 42.4 -14.1 16.7 5 5 A V E -aB 30 58A 15 53,-2.1 53,-2.8 24,-0.2 2,-0.6 -0.947 10.1-154.6-115.4 118.0 40.8 -15.7 13.7 6 6 A L E -aB 31 57A 1 24,-2.5 26,-2.2 -2,-0.6 2,-0.7 -0.824 2.2-157.9 -96.3 122.0 38.8 -13.5 11.4 7 7 A H E +aB 32 56A 10 49,-3.2 49,-1.2 -2,-0.6 2,-0.3 -0.866 41.8 106.5-101.5 110.7 36.1 -15.0 9.2 8 8 A Y E -a 33 0A 20 24,-1.1 26,-2.0 -2,-0.7 5,-0.1 -0.968 69.2 -72.5-167.2 175.5 35.1 -13.0 6.2 9 9 A F E -a 34 0A 57 -2,-0.3 2,-2.1 24,-0.2 26,-0.1 -0.282 58.1 -98.1 -72.4 162.4 35.3 -12.7 2.4 10 10 A N S S+ 0 0 91 24,-0.5 2,-0.3 -2,-0.0 -1,-0.1 -0.599 98.0 80.4 -86.2 79.2 38.7 -11.6 1.0 11 11 A A S S- 0 0 14 -2,-2.1 4,-0.2 1,-0.2 193,-0.1 -0.959 90.7 -98.2-168.9 169.6 37.5 -8.0 0.8 12 12 A R >> + 0 0 31 193,-0.5 4,-1.5 -2,-0.3 3,-1.2 0.999 67.8 128.3 -64.1 -71.2 37.1 -5.0 2.9 13 13 A G T 34 S- 0 0 51 1,-0.2 4,-0.3 2,-0.2 3,-0.3 -0.099 89.7 -34.9 48.8-141.9 33.4 -5.1 3.8 14 14 A R T 34 S+ 0 0 131 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.485 133.7 68.8 -89.0 -7.7 32.5 -4.8 7.4 15 15 A M T X> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.2 3,-0.8 0.754 80.4 76.1 -83.7 -22.1 35.6 -6.7 8.5 16 16 A E H 3X S+ 0 0 1 -4,-1.5 4,-2.7 -3,-0.3 5,-0.2 0.888 89.4 54.9 -58.4 -41.6 38.1 -4.0 7.5 17 17 A C H 3> S+ 0 0 13 -4,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.837 111.5 48.0 -61.1 -29.4 37.3 -1.7 10.5 18 18 A I H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.3 5,-0.3 0.910 107.6 51.6 -76.3 -44.3 38.2 -4.7 12.6 19 19 A R H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.949 111.4 52.7 -55.5 -42.2 41.4 -5.6 10.8 20 20 A W H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.874 107.0 49.1 -60.9 -42.2 42.3 -1.9 11.4 21 21 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.918 113.2 46.1 -67.4 -42.4 41.7 -1.9 15.1 22 22 A L H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 4,-0.3 0.912 113.1 50.3 -65.8 -40.0 43.8 -5.0 15.7 23 23 A A H ><5S+ 0 0 14 -4,-2.5 3,-2.2 -5,-0.3 -2,-0.2 0.966 110.7 48.6 -64.3 -48.7 46.6 -3.7 13.5 24 24 A A H 3<5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 168,-0.2 0.889 110.0 53.3 -57.4 -37.1 46.7 -0.4 15.4 25 25 A A T 3<5S- 0 0 28 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.521 115.4-118.6 -76.8 -2.5 46.7 -2.4 18.6 26 26 A G T < 5 + 0 0 46 -3,-2.2 2,-0.6 -4,-0.3 -3,-0.2 0.836 63.4 148.9 70.4 32.4 49.7 -4.3 17.4 27 27 A V < - 0 0 22 -5,-3.1 2,-0.2 -6,-0.1 -1,-0.2 -0.868 41.8-139.1-105.4 120.0 47.8 -7.6 17.5 28 28 A E + 0 0 145 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.556 29.1 176.2 -76.7 139.8 48.7 -10.3 15.1 29 29 A F - 0 0 9 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.930 24.0-135.9-139.5 163.0 45.7 -12.2 13.6 30 30 A E E -a 5 0A 87 -26,-2.5 -24,-2.5 -2,-0.3 2,-0.4 -0.815 16.4-148.4-113.6 159.4 44.9 -14.9 11.0 31 31 A E E -a 6 0A 33 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.982 6.4-159.3-128.9 137.3 42.1 -14.8 8.4 32 32 A K E -a 7 0A 118 -26,-2.2 -24,-1.1 -2,-0.4 2,-0.2 -0.964 28.3-141.7-114.4 108.2 40.2 -17.7 7.1 33 33 A F E -a 8 0A 72 -2,-0.6 2,-1.0 -26,-0.2 -24,-0.2 -0.477 8.0-136.7 -80.1 144.9 38.7 -16.5 3.8 34 34 A I E +a 9 0A 7 -26,-2.0 -24,-0.5 -2,-0.2 -1,-0.1 -0.848 32.6 167.3 -95.7 101.6 35.3 -17.3 2.6 35 35 A Q + 0 0 132 -2,-1.0 -1,-0.2 -26,-0.1 -26,-0.0 0.745 60.6 17.8 -89.0 -28.8 36.1 -17.9 -1.1 36 36 A S S >> S- 0 0 27 1,-0.1 4,-1.6 183,-0.0 3,-0.8 -0.920 78.2-107.4-140.3 165.5 32.8 -19.6 -2.2 37 37 A P H 3> S+ 0 0 23 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.746 121.4 60.9 -64.4 -20.5 29.1 -19.9 -1.0 38 38 A E H 3> S+ 0 0 131 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.834 102.7 52.1 -72.2 -30.8 30.0 -23.5 -0.1 39 39 A D H <> S+ 0 0 65 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.919 111.2 45.6 -67.4 -44.1 32.6 -22.0 2.2 40 40 A L H X S+ 0 0 32 -4,-1.6 4,-1.9 1,-0.2 3,-0.2 0.951 108.7 55.9 -65.0 -49.6 29.9 -19.8 3.8 41 41 A E H X S+ 0 0 67 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.880 104.6 52.5 -50.9 -45.1 27.4 -22.6 4.2 42 42 A K H X S+ 0 0 131 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.935 106.5 53.3 -59.8 -43.5 29.7 -24.8 6.1 43 43 A L H <>S+ 0 0 22 -4,-1.4 5,-1.4 -3,-0.2 6,-0.5 0.902 114.9 42.3 -58.8 -39.1 30.4 -21.9 8.6 44 44 A K H ><5S+ 0 0 39 -4,-1.9 3,-2.8 1,-0.2 5,-0.3 0.988 112.3 50.8 -70.9 -59.4 26.6 -21.6 9.1 45 45 A K H 3<5S+ 0 0 156 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.802 104.1 60.3 -48.7 -34.9 25.8 -25.3 9.3 46 46 A D T 3<5S- 0 0 83 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.387 111.4-120.3 -80.0 8.4 28.5 -25.9 11.9 47 47 A G T < 5S+ 0 0 44 -3,-2.8 -3,-0.2 2,-0.1 -2,-0.1 0.664 77.2 123.3 65.3 22.0 26.8 -23.5 14.2 48 48 A N < + 0 0 33 -5,-1.4 2,-0.6 1,-0.1 -4,-0.2 0.611 60.2 68.5 -87.9 -13.8 29.7 -21.0 14.5 49 49 A L > - 0 0 4 -6,-0.5 3,-2.1 -5,-0.3 -1,-0.1 -0.913 69.9-154.2-110.8 104.9 27.7 -18.0 13.3 50 50 A M T 3 S+ 0 0 44 -2,-0.6 -1,-0.1 13,-0.3 14,-0.0 0.819 98.9 18.9 -44.4 -43.5 25.0 -16.9 15.8 51 51 A F T 3 S- 0 0 3 2,-0.3 -1,-0.3 305,-0.0 3,-0.1 -0.062 113.3-103.6-119.2 29.2 22.9 -15.3 13.1 52 52 A D S < S+ 0 0 52 -3,-2.1 2,-0.3 1,-0.2 -8,-0.1 0.817 89.2 110.8 53.0 34.0 24.4 -17.1 10.1 53 53 A Q - 0 0 64 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.939 56.6-114.0-135.0 158.6 26.3 -13.9 9.2 54 54 A V S S+ 0 0 20 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.872 74.4 88.3-125.6 161.7 29.9 -12.7 9.2 55 55 A P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.232 63.5 161.1 -50.9 139.8 32.0 -10.9 10.3 56 56 A M E -BC 7 65A 0 -49,-1.2 -49,-3.2 9,-0.2 2,-0.4 -0.987 19.2-166.2-141.5 137.6 32.8 -13.4 12.9 57 57 A V E -BC 6 64A 0 7,-2.5 7,-2.2 -2,-0.3 2,-0.9 -0.990 16.7-142.8-129.3 129.5 36.0 -13.5 15.0 58 58 A E E +BC 5 63A 63 -53,-2.8 -53,-2.1 -2,-0.4 2,-0.3 -0.819 42.1 151.5 -90.3 112.4 37.3 -16.3 17.1 59 59 A I E > - C 0 62A 7 3,-1.4 3,-1.9 -2,-0.9 5,-0.1 -0.982 60.4 -9.4-149.3 131.7 38.9 -14.6 20.1 60 60 A D T 3 S- 0 0 59 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.838 128.4 -50.8 51.6 42.1 39.4 -15.6 23.7 61 61 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.352 114.6 112.7 85.0 -8.7 37.2 -18.7 23.4 62 62 A M E < -C 59 0A 25 -3,-1.9 -3,-1.4 2,-0.0 2,-0.7 -0.639 62.1-145.0 -98.5 155.3 34.2 -16.9 21.8 63 63 A K E -C 58 0A 87 -2,-0.2 2,-0.6 -5,-0.2 -13,-0.3 -0.839 35.8-169.0-110.7 81.4 32.8 -17.1 18.3 64 64 A L E +C 57 0A 1 -7,-2.2 -7,-2.5 -2,-0.7 2,-0.2 -0.708 10.3 178.8 -87.6 114.1 31.9 -13.5 18.3 65 65 A A E +C 56 0A 4 -2,-0.6 -9,-0.2 -9,-0.2 -11,-0.1 -0.512 41.0 69.3-102.0 176.4 29.7 -12.2 15.5 66 66 A Q S >> S- 0 0 21 -11,-0.9 4,-2.2 -2,-0.2 3,-0.9 0.830 72.9-121.4 76.3 105.2 28.3 -8.6 14.8 67 67 A T H 3> S+ 0 0 17 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.877 110.1 47.4 -37.6 -55.7 30.8 -6.0 13.7 68 68 A R H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.846 109.8 53.1 -63.7 -31.7 30.1 -3.6 16.6 69 69 A A H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.946 111.9 45.5 -67.0 -44.6 30.2 -6.3 19.2 70 70 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.954 114.0 48.6 -61.0 -54.2 33.7 -7.4 17.9 71 71 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 5,-0.2 0.925 111.1 50.1 -53.1 -47.5 35.0 -3.8 17.8 72 72 A N H X S+ 0 0 16 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.922 113.1 46.4 -61.4 -42.1 33.7 -3.0 21.3 73 73 A Y H X S+ 0 0 10 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 114.4 45.8 -64.5 -51.4 35.4 -6.1 22.7 74 74 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 6,-0.3 0.947 112.2 52.6 -56.9 -48.0 38.7 -5.6 21.0 75 75 A A H <>S+ 0 0 0 -4,-3.0 5,-3.1 -5,-0.3 6,-0.5 0.904 113.4 42.8 -56.7 -43.5 38.7 -1.8 21.9 76 76 A T H ><5S+ 0 0 35 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.926 111.8 53.7 -67.4 -46.2 38.2 -2.6 25.6 77 77 A K H 3<5S+ 0 0 66 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.895 115.4 39.5 -57.1 -43.1 40.6 -5.5 25.7 78 78 A Y T 3<5S- 0 0 70 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.105 114.1-109.5-102.3 35.3 43.5 -3.4 24.3 79 79 A D T < 5S+ 0 0 115 -3,-1.4 3,-0.3 1,-0.1 -3,-0.2 0.745 82.8 122.9 43.6 39.1 42.8 -0.1 26.1 80 80 A L < + 0 0 13 -5,-3.1 74,-3.1 -6,-0.3 75,-0.3 0.072 51.3 81.4-110.9 23.4 41.6 1.7 23.1 81 81 A Y S S- 0 0 17 -6,-0.5 3,-0.2 1,-0.4 -1,-0.2 -0.002 97.8-107.9-118.5 29.7 38.1 2.6 24.6 82 82 A G - 0 0 17 -3,-0.3 -1,-0.4 70,-0.2 3,-0.1 -0.188 35.8 -79.9 77.3-169.6 39.0 5.6 26.7 83 83 A K S S+ 0 0 154 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.565 97.5 7.0-112.4 -14.5 39.1 5.9 30.4 84 84 A D S > S- 0 0 60 -3,-0.2 4,-2.6 1,-0.0 -1,-0.2 -0.970 82.3 -87.2-158.9 174.6 35.5 6.2 31.6 85 85 A M H > S+ 0 0 64 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.775 121.2 55.5 -63.8 -27.2 31.9 6.2 30.4 86 86 A K H > S+ 0 0 94 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.934 109.5 45.9 -70.6 -45.5 31.9 9.9 29.5 87 87 A E H > S+ 0 0 23 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.944 111.0 54.1 -61.2 -40.8 34.9 9.4 27.2 88 88 A R H X S+ 0 0 64 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.825 102.3 58.1 -62.9 -30.8 33.2 6.3 25.8 89 89 A A H X S+ 0 0 2 -4,-1.4 4,-2.7 -3,-0.2 -1,-0.2 0.939 111.3 41.1 -61.9 -48.6 30.0 8.4 25.0 90 90 A L H X S+ 0 0 60 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.949 115.6 50.9 -64.4 -47.6 32.1 10.7 22.8 91 91 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.931 113.8 45.5 -55.4 -44.4 34.0 7.8 21.3 92 92 A D H X S+ 0 0 9 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.926 113.1 48.1 -67.7 -44.0 30.8 6.0 20.5 93 93 A M H X S+ 0 0 12 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.941 114.3 46.4 -62.6 -42.9 29.1 9.0 19.1 94 94 A Y H X S+ 0 0 21 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.2 0.930 113.1 49.0 -64.4 -45.0 32.0 9.9 16.9 95 95 A S H X S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.882 107.7 54.2 -63.1 -42.3 32.5 6.3 15.7 96 96 A E H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.891 107.6 50.8 -61.7 -35.9 28.8 5.9 14.8 97 97 A G H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.930 111.0 48.8 -67.2 -40.5 29.1 9.0 12.7 98 98 A I H X S+ 0 0 3 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.924 111.2 49.7 -61.3 -43.1 32.2 7.4 11.0 99 99 A L H X S+ 0 0 20 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.921 110.5 50.3 -63.0 -43.0 30.3 4.2 10.4 100 100 A D H X S+ 0 0 39 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.933 112.2 46.7 -60.3 -45.1 27.4 6.1 8.9 101 101 A L H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.937 111.1 52.4 -60.5 -47.7 29.7 8.0 6.6 102 102 A T H X S+ 0 0 44 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.926 112.1 45.6 -54.7 -46.4 31.5 4.8 5.6 103 103 A E H X S+ 0 0 64 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.911 108.0 56.3 -66.7 -41.5 28.2 3.1 4.7 104 104 A M H X S+ 0 0 46 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.924 115.7 37.4 -56.5 -45.6 26.9 6.0 2.8 105 105 A I H >< S+ 0 0 25 -4,-2.2 3,-1.2 -5,-0.2 4,-0.4 0.961 117.5 50.4 -70.9 -49.8 30.0 6.0 0.5 106 106 A G H >< S+ 0 0 45 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.869 102.6 59.6 -57.1 -41.3 30.3 2.2 0.3 107 107 A Q H >X S+ 0 0 92 -4,-2.9 3,-2.5 1,-0.2 4,-0.5 0.719 83.4 81.5 -64.6 -18.7 26.7 1.5 -0.6 108 108 A L G X< S+ 0 0 11 -3,-1.2 3,-1.5 -4,-0.5 -1,-0.2 0.857 82.0 64.5 -54.1 -36.2 27.0 3.6 -3.7 109 109 A V G <4 S+ 0 0 51 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.620 104.7 47.5 -63.9 -12.7 28.5 0.6 -5.5 110 110 A L G <4 S+ 0 0 96 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.440 82.8 118.6-106.5 -8.8 25.2 -1.1 -5.0 111 111 A C S << S- 0 0 18 -3,-1.5 5,-0.1 -4,-0.5 -3,-0.0 -0.302 77.6-102.2 -61.4 144.0 22.8 1.6 -6.2 112 112 A P >> - 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0 0 64 0, 0.0 3,-5.9 0, 0.0 4,-1.3 -0.497 36.4-108.2 -64.8 128.8 6.8 -0.0 -2.9 335 113 B P T 34 S+ 0 0 99 0, 0.0 4,-0.5 0, 0.0 -2,-0.1 0.650 122.8 58.0 -33.6 -23.0 3.8 -2.3 -3.4 336 114 B D T 34 S+ 0 0 150 2,-0.1 4,-0.2 1,-0.1 -3,-0.0 0.566 115.4 33.9 -87.6 -8.7 5.9 -4.0 -6.0 337 115 B Q T <> S+ 0 0 101 -3,-5.9 4,-2.1 2,-0.1 3,-0.4 0.729 100.6 72.4-112.8 -37.9 8.6 -4.8 -3.5 338 116 B R H X S+ 0 0 91 -4,-1.3 4,-3.4 1,-0.2 5,-0.3 0.824 86.4 66.5 -52.4 -40.4 6.9 -5.4 -0.2 339 117 B E H > S+ 0 0 138 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.940 111.4 31.6 -48.6 -58.7 5.4 -8.8 -1.1 340 118 B A H > S+ 0 0 73 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.885 117.8 56.3 -69.6 -38.6 8.7 -10.6 -1.3 341 119 B K H X S+ 0 0 70 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 107.4 49.2 -61.9 -38.8 10.4 -8.5 1.3 342 120 B T H X S+ 0 0 27 -4,-3.4 4,-3.0 2,-0.2 5,-0.3 0.943 110.2 50.8 -63.8 -45.9 7.7 -9.4 3.9 343 121 B A H X S+ 0 0 63 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.883 111.5 48.8 -59.0 -37.4 8.1 -13.1 3.0 344 122 B L H X S+ 0 0 86 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.892 111.0 49.7 -70.4 -37.4 11.8 -12.7 3.5 345 123 B A H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.913 111.0 48.0 -67.5 -44.5 11.4 -11.0 6.8 346 124 B K H X S+ 0 0 65 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.907 112.7 51.0 -63.4 -37.2 9.0 -13.6 8.2 347 125 B D H X S+ 0 0 64 -4,-1.9 4,-2.6 -5,-0.3 5,-0.4 0.946 113.4 43.7 -61.7 -51.2 11.5 -16.2 7.0 348 126 B R H X>S+ 0 0 74 -4,-2.8 5,-2.4 3,-0.2 4,-2.1 0.891 112.7 53.5 -62.2 -42.6 14.4 -14.5 8.8 349 127 B T H <>S+ 0 0 0 -4,-3.0 5,-2.4 3,-0.2 -2,-0.2 0.987 118.8 31.7 -60.1 -56.9 12.3 -13.9 11.9 350 128 B K H <5S+ 0 0 103 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.773 131.8 32.0 -76.9 -21.4 11.2 -17.5 12.3 351 129 B N H <5S+ 0 0 100 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.663 131.0 23.5-109.1 -15.2 14.3 -19.3 10.9 352 130 B R T X5S+ 0 0 29 -4,-2.1 4,-1.2 -5,-0.4 -3,-0.2 0.781 126.4 25.3-111.8 -61.1 17.2 -16.9 11.8 353 131 B Y H > S+ 0 0 43 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.917 106.0 54.7 -57.3 -41.6 15.7 -19.6 16.8 356 134 B A H X S+ 0 0 12 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.925 113.9 39.7 -59.0 -42.5 19.0 -17.9 17.9 357 135 B F H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.847 111.5 55.4 -77.1 -33.4 17.5 -16.4 21.0 358 136 B E H X S+ 0 0 24 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.929 108.8 52.0 -61.2 -42.9 15.4 -19.5 21.9 359 137 B K H X S+ 0 0 139 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.921 105.3 53.2 -60.7 -42.4 18.8 -21.3 21.7 360 138 B V H X S+ 0 0 10 -4,-1.6 4,-1.1 2,-0.2 5,-0.3 0.949 111.6 45.7 -57.6 -50.2 20.5 -18.9 24.1 361 139 B L H >X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 3,-0.7 0.931 114.0 49.4 -57.9 -46.2 17.8 -19.4 26.7 362 140 B K H 3< S+ 0 0 167 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.892 101.7 64.8 -63.8 -33.9 17.9 -23.1 26.2 363 141 B S H 3< S+ 0 0 89 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 122.7 12.6 -60.6 -33.3 21.7 -23.2 26.6 364 142 B H H << S- 0 0 59 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.551 86.5-138.3-121.5 -9.8 21.7 -22.1 30.2 365 143 B G < + 0 0 66 -4,-2.4 2,-0.2 -5,-0.3 -3,-0.1 0.705 54.9 139.2 59.6 22.7 18.1 -22.4 31.3 366 144 B Q - 0 0 72 -5,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.539 64.7-116.3 -97.4 163.2 18.2 -19.1 33.2 367 145 B D S S+ 0 0 81 -2,-0.2 2,-0.3 5,-0.1 42,-0.1 0.650 96.4 49.1 -69.6 -20.9 15.6 -16.3 33.5 368 146 B Y S S- 0 0 51 1,-0.1 4,-0.3 -7,-0.1 -2,-0.2 -0.846 83.3-120.7-120.7 159.7 17.8 -13.6 31.7 369 147 B L S S+ 0 0 1 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.872 93.7 27.4 -66.3 -38.9 19.8 -13.7 28.5 370 148 B V S > S- 0 0 6 3,-0.4 3,-1.1 1,-0.1 -1,-0.2 -0.987 125.0 -9.4-134.9 135.2 23.2 -13.0 30.0 371 149 B G T 3 S- 0 0 40 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.623 102.2 -85.4 61.2 19.8 24.8 -13.5 33.4 372 150 B N T 3 S+ 0 0 88 -4,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.806 107.0 86.9 53.2 38.1 21.6 -14.7 35.2 373 151 B R S < S- 0 0 125 -3,-1.1 -3,-0.4 -7,-0.1 -1,-0.1 -0.974 90.6 -79.8-161.1 149.0 20.6 -11.1 35.9 374 152 B L + 0 0 42 -2,-0.3 2,-0.3 -6,-0.1 -70,-0.3 -0.248 53.5 166.7 -54.9 132.6 18.7 -8.3 34.1 375 153 B T >> - 0 0 0 -72,-0.1 4,-1.1 -62,-0.0 3,-1.1 -0.888 51.9 -90.1-137.0 174.7 20.7 -6.4 31.5 376 154 B R H 3> S+ 0 0 4 -74,-3.2 4,-2.3 -2,-0.3 3,-0.2 0.837 120.4 59.7 -53.8 -37.7 19.9 -4.1 28.7 377 155 B V H 3> S+ 0 0 0 -75,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.801 94.5 61.1 -70.5 -24.6 19.5 -6.8 26.1 378 156 B D H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.937 110.1 45.4 -63.1 -38.7 16.7 -8.6 28.1 379 157 B I H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.931 111.1 50.2 -69.1 -42.9 14.8 -5.3 27.5 380 158 B H H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 111.3 50.6 -61.3 -37.7 15.8 -5.0 23.9 381 159 B L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.943 108.8 49.5 -66.6 -48.1 14.5 -8.6 23.3 382 160 B L H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.973 111.7 51.4 -53.8 -51.3 11.2 -8.0 25.0 383 161 B E H X S+ 0 0 12 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.920 111.0 44.9 -53.2 -46.3 10.7 -4.9 22.9 384 162 B V H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.864 108.0 57.9 -72.6 -30.1 11.4 -6.6 19.6 385 163 B L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -1,-0.2 0.892 104.2 53.3 -61.3 -40.1 9.2 -9.6 20.5 386 164 B L H X S+ 0 0 22 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.936 110.3 47.2 -60.3 -43.7 6.3 -7.1 20.9 387 165 B Y H X S+ 0 0 24 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.864 110.4 51.1 -66.5 -35.2 7.1 -5.8 17.4 388 166 B V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.935 109.1 52.2 -65.0 -42.1 7.3 -9.4 16.1 389 167 B E H < S+ 0 0 97 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.913 109.5 48.7 -59.4 -43.4 3.9 -10.0 17.7 390 168 B E H < S+ 0 0 93 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.870 114.4 48.3 -62.3 -36.0 2.5 -6.8 15.9 391 169 B F H < S- 0 0 50 -4,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.976 140.5 -22.3 -68.3 -59.8 4.0 -8.1 12.6 392 170 B D >< - 0 0 44 -4,-3.0 3,-1.9 -5,-0.1 4,-0.4 -0.749 54.8-159.7-158.9 100.9 2.7 -11.7 12.7 393 171 B A G > S+ 0 0 59 -4,-0.4 3,-1.0 1,-0.3 4,-0.4 0.776 89.4 66.2 -55.8 -28.4 1.8 -13.2 16.1 394 172 B S G > S+ 0 0 66 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.681 82.3 74.2 -69.6 -19.2 2.1 -16.7 14.7 395 173 B L G < S+ 0 0 8 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.876 96.7 52.0 -61.0 -33.7 5.9 -16.4 14.2 396 174 B L G X S+ 0 0 14 -3,-1.0 3,-1.8 -4,-0.4 -1,-0.2 0.641 83.9 87.0 -77.5 -18.6 6.2 -16.7 18.0 397 175 B T T < S+ 0 0 87 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.1 0.861 81.3 57.2 -56.4 -40.6 4.3 -19.9 18.5 398 176 B P T 3 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.537 93.8 80.8 -69.0 -1.6 7.1 -22.4 18.0 399 177 B F <> + 0 0 21 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 -0.629 46.6 167.6-115.8 84.7 9.1 -20.8 20.7 400 178 B P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.879 80.1 50.7 -56.8 -45.4 8.1 -21.9 24.2 401 179 B L H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.887 111.3 48.0 -65.9 -36.7 11.2 -20.4 26.0 402 180 B L H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.859 108.9 54.8 -69.1 -35.4 10.7 -16.9 24.3 403 181 B K H X S+ 0 0 112 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.920 111.9 43.9 -62.8 -42.7 7.0 -17.0 25.2 404 182 B A H X S+ 0 0 44 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.917 113.8 50.4 -65.5 -47.4 8.0 -17.5 28.9 405 183 B F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.935 108.0 52.9 -55.7 -50.2 10.7 -14.9 28.8 406 184 B K H X S+ 0 0 25 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.929 112.3 44.6 -55.0 -45.8 8.4 -12.3 27.3 407 185 B S H X S+ 0 0 77 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.902 113.5 51.2 -68.5 -36.4 5.9 -12.9 30.1 408 186 B R H >< S+ 0 0 79 -4,-2.7 3,-1.3 2,-0.2 4,-0.5 0.983 112.5 43.1 -65.0 -55.8 8.6 -12.8 32.7 409 187 B I H >< S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.3 6,-0.2 0.924 108.1 60.0 -59.1 -41.5 10.2 -9.6 31.7 410 188 B S H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.736 99.9 58.9 -57.0 -23.1 6.9 -7.9 31.1 411 189 B S T << S+ 0 0 82 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.544 74.3 113.3 -84.3 -11.6 6.1 -8.5 34.8 412 190 B L S <> S- 0 0 43 -3,-1.9 4,-2.9 -4,-0.5 5,-0.3 -0.400 78.3-120.3 -60.2 140.6 9.0 -6.5 36.1 413 191 B P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.925 109.7 44.1 -49.0 -57.3 7.6 -3.5 37.9 414 192 B N H > S+ 0 0 72 1,-0.2 4,-1.5 -168,-0.2 5,-0.1 0.887 117.3 47.6 -58.2 -37.4 9.3 -0.8 35.8 415 193 B V H > S+ 0 0 2 2,-0.2 4,-2.0 -6,-0.2 -1,-0.2 0.892 108.1 53.0 -71.9 -40.4 8.4 -2.7 32.6 416 194 B K H X S+ 0 0 117 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.921 108.2 52.9 -61.8 -40.4 4.8 -3.3 33.5 417 195 B K H < S+ 0 0 148 -4,-2.3 3,-0.3 -5,-0.3 -1,-0.2 0.880 108.2 49.2 -64.0 -36.3 4.5 0.4 34.1 418 196 B F H < S+ 0 0 9 -4,-1.5 7,-0.4 1,-0.2 -1,-0.2 0.847 109.8 52.4 -71.5 -30.8 5.9 1.3 30.7 419 197 B L H < S+ 0 0 40 -4,-2.0 -1,-0.2 -9,-0.2 -2,-0.2 0.712 90.6 100.8 -78.3 -19.8 3.5 -1.2 29.1 420 198 B Q S >< S- 0 0 93 -4,-1.1 3,-1.5 -3,-0.3 5,-0.2 -0.291 89.1 -90.7 -65.8 150.9 0.5 0.4 30.9 421 199 B P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.207 111.0 31.8 -55.1 151.8 -1.7 2.8 28.9 422 200 B G T 3 S+ 0 0 86 1,-0.2 -3,-0.1 3,-0.1 -2,-0.1 0.327 86.1 123.6 83.0 -8.5 -0.6 6.4 29.2 423 201 B S S < S- 0 0 38 -3,-1.5 -1,-0.2 -5,-0.2 -5,-0.1 -0.269 80.9 -98.1 -75.8 174.0 3.2 5.8 29.5 424 202 B Q S S+ 0 0 70 -3,-0.1 2,-0.1 -183,-0.1 -1,-0.1 0.341 82.3 127.7 -75.2 7.6 5.6 7.5 27.1 425 203 B R - 0 0 85 -7,-0.4 -3,-0.1 -5,-0.2 -191,-0.1 -0.467 56.2-130.1 -65.7 139.5 5.7 4.2 25.1 426 204 B K - 0 0 14 -2,-0.1 -1,-0.1 -193,-0.1 -193,-0.1 -0.625 8.9-129.2 -97.7 152.5 4.9 4.9 21.4 427 205 B P - 0 0 79 0, 0.0 -193,-0.5 0, 0.0 -1,-0.1 -0.429 30.7 -99.2 -90.6 165.3 2.5 3.2 18.9 428 206 B P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -41,-0.0 -0.402 43.8-112.9 -77.5 165.5 3.2 1.8 15.4 429 207 B M - 0 0 78 -2,-0.1 2,-0.4 3,-0.0 5,-0.0 -0.906 20.4-134.8-110.8 125.4 2.3 4.2 12.5 430 208 B D > - 0 0 91 -2,-0.5 4,-0.8 1,-0.1 3,-0.2 -0.599 32.9-100.8 -83.0 127.5 -0.5 3.5 9.9 431 209 B A H > S+ 0 0 66 -2,-0.4 4,-1.9 1,-0.2 3,-0.3 0.480 122.6 42.0 -3.3 -66.7 0.1 4.0 6.1 432 210 B K H >> S+ 0 0 147 1,-0.2 3,-1.5 2,-0.2 4,-1.0 0.962 107.6 59.3 -52.3 -81.2 -1.7 7.3 6.1 433 211 B Q H 3> S+ 0 0 102 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.610 108.9 47.7 -12.0 -47.8 -0.2 8.7 9.4 434 212 B I H 3X S+ 0 0 32 -4,-0.8 4,-1.2 -3,-0.3 -1,-0.3 0.972 101.7 60.3 -69.1 -55.1 3.2 8.3 7.7 435 213 B Q H XX S+ 0 0 122 -4,-1.9 4,-2.7 -3,-1.5 3,-1.1 0.852 103.7 55.2 -38.6 -47.3 2.3 10.0 4.4 436 214 B E H 3< S+ 0 0 109 -4,-1.0 -1,-0.3 1,-0.3 5,-0.2 0.975 103.9 52.0 -49.5 -62.7 1.5 13.1 6.6 437 215 B A H 3X S+ 0 0 42 -4,-1.3 4,-0.7 1,-0.3 3,-0.6 0.631 109.2 51.4 -50.6 -19.1 5.1 12.9 8.1 438 216 B R H X< S+ 0 0 124 -4,-1.2 2,-1.7 -3,-1.1 3,-0.9 0.915 113.4 42.3 -82.2 -51.5 6.4 12.9 4.5 439 217 B K T 3< S+ 0 0 177 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.493 113.8 58.6 -87.9 58.0 4.3 15.9 3.7 440 218 B A T 34 S- 0 0 30 -2,-1.7 -1,-0.2 1,-0.7 2,-0.2 0.203 121.6 -3.0-152.8 -34.6 5.4 17.2 7.1 441 219 B F S << S- 0 0 53 -3,-0.9 2,-0.8 -4,-0.7 -1,-0.7 -0.773 109.1 -40.4-147.9-169.2 9.2 17.1 6.5 442 220 B K 0 0 188 -2,-0.2 -3,-0.1 -3,-0.1 -5,-0.0 -0.515 360.0 360.0 -69.2 107.6 11.7 16.1 3.8 443 221 B I 0 0 96 -2,-0.8 -5,-0.1 -5,-0.3 -3,-0.0 -0.958 360.0 360.0-172.7 360.0 10.3 12.8 2.4