==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-DEC-04 1YDK . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.C.KUHNERT,Y.SAYED,S.MOSEBI,M.SAYED,T.SEWELL,H.W.DIRR . 426 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 72.8 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 . 18 4.2 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 . 19 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 4 1 4 2 0 2 0 2 0 0 0 0 0 0 2 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 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 3 A E 0 0 229 0, 0.0 58,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -44.8 28.2 34.2 -9.7 2 4 A K - 0 0 89 1,-0.1 26,-0.2 56,-0.1 55,-0.1 -0.565 360.0-106.6 -66.3 130.0 31.4 32.5 -8.3 3 5 A P - 0 0 6 0, 0.0 26,-2.7 0, 0.0 2,-0.5 -0.342 31.8-149.6 -60.5 138.0 30.6 31.0 -4.9 4 6 A K E -aB 29 57A 61 53,-2.1 53,-2.6 24,-0.2 2,-0.6 -0.967 3.8-150.8-116.1 124.3 32.2 33.0 -2.1 5 7 A L E -aB 30 56A 1 24,-2.9 26,-2.9 -2,-0.5 2,-0.6 -0.837 4.9-159.9-100.4 120.0 33.2 31.2 1.1 6 8 A H E +aB 31 55A 1 49,-3.4 49,-1.5 -2,-0.6 2,-0.3 -0.892 41.9 105.2-101.2 114.1 33.2 33.2 4.4 7 9 A Y E S-a 32 0A 22 24,-1.3 26,-2.0 -2,-0.6 2,-0.0 -0.963 70.5 -72.8-167.1 170.8 35.3 31.6 7.1 8 10 A F E -a 33 0A 82 -2,-0.3 2,-2.0 24,-0.3 26,-0.1 -0.335 58.6 -95.6 -63.0 157.2 38.6 31.9 9.1 9 11 A N S S+ 0 0 106 24,-0.5 2,-0.3 -2,-0.0 -1,-0.1 -0.631 99.0 85.3 -74.3 81.3 41.8 31.0 7.2 10 12 A A S S- 0 0 32 -2,-2.0 4,-0.2 1,-0.2 193,-0.1 -0.956 88.7-104.4-171.2 163.5 41.6 27.5 8.7 11 13 A R S >> S+ 0 0 37 193,-0.5 4,-1.6 -2,-0.3 3,-1.5 1.000 72.4 121.9 -62.0 -71.8 40.0 24.1 8.1 12 14 A G T 34 S- 0 0 29 1,-0.2 3,-0.3 2,-0.2 4,-0.3 -0.053 90.3 -25.3 43.5-134.7 37.3 24.3 10.8 13 15 A R T 34 S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.367 136.3 60.3 -91.0 3.3 33.7 23.9 9.6 14 16 A M T X> S+ 0 0 0 -3,-1.5 4,-1.8 -4,-0.2 3,-0.9 0.651 79.0 83.8-101.3 -22.1 34.4 25.1 6.1 15 17 A E H 3X S+ 0 0 3 -4,-1.6 4,-2.5 -3,-0.3 5,-0.1 0.842 86.4 55.2 -55.0 -39.5 37.0 22.5 5.0 16 18 A S H 3> S+ 0 0 24 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.828 108.7 50.0 -67.0 -29.4 34.4 19.9 3.9 17 19 A T H <> S+ 0 0 0 -3,-0.9 4,-2.7 2,-0.2 5,-0.3 0.876 108.3 51.7 -68.8 -44.0 32.8 22.5 1.6 18 20 A R H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.932 110.9 49.9 -58.6 -46.3 36.2 23.3 0.1 19 21 A W H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.919 112.7 45.9 -55.4 -48.8 36.7 19.6 -0.5 20 22 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 114.0 45.4 -67.1 -47.4 33.3 19.2 -2.2 21 23 A L H <>S+ 0 0 0 -4,-2.7 5,-3.1 2,-0.2 -1,-0.2 0.926 115.3 48.3 -60.1 -46.6 33.5 22.3 -4.5 22 24 A A H ><5S+ 0 0 15 -4,-2.3 3,-1.7 -5,-0.3 -2,-0.2 0.926 111.0 50.4 -60.1 -46.0 37.1 21.4 -5.5 23 25 A A H 3<5S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 168,-0.2 0.856 109.0 51.7 -60.6 -36.7 36.0 17.8 -6.2 24 26 A A T 3<5S- 0 0 32 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.411 116.5-118.7 -78.4 2.0 33.1 19.1 -8.4 25 27 A G T < 5 + 0 0 51 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.819 61.0 155.3 63.5 32.5 35.7 21.2 -10.2 26 28 A V < - 0 0 23 -5,-3.1 -1,-0.2 -6,-0.2 2,-0.2 -0.837 40.1-134.6-100.4 118.7 33.9 24.3 -9.1 27 29 A E + 0 0 144 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.452 34.1 169.9 -66.6 136.0 35.9 27.6 -9.0 28 30 A F - 0 0 35 -26,-0.2 2,-0.3 -2,-0.2 -24,-0.2 -0.967 27.0-135.0-145.5 162.2 35.3 29.6 -5.8 29 31 A E E -a 4 0A 96 -26,-2.7 -24,-2.9 -2,-0.3 2,-0.4 -0.826 16.8-145.3-112.3 155.8 36.6 32.6 -3.9 30 32 A E E -a 5 0A 47 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.971 7.4-162.1-122.4 140.0 37.3 32.9 -0.2 31 33 A K E -a 6 0A 92 -26,-2.9 -24,-1.3 -2,-0.4 2,-0.3 -0.947 24.5-145.0-116.8 108.3 36.9 35.9 2.2 32 34 A F E -a 7 0A 64 -2,-0.5 2,-0.7 -26,-0.2 -24,-0.3 -0.529 6.4-138.3 -81.8 133.0 38.9 35.2 5.3 33 35 A I E +a 8 0A 11 -26,-2.0 -24,-0.5 -2,-0.3 3,-0.1 -0.822 28.3 171.9 -85.9 113.3 37.7 36.4 8.7 34 36 A K + 0 0 162 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.2 0.713 57.7 14.6 -97.7 -25.6 40.9 37.6 10.3 35 37 A S S > S- 0 0 54 1,-0.1 4,-1.5 -27,-0.0 3,-0.2 -0.872 79.6 -98.2-144.1 170.9 39.6 39.2 13.5 36 38 A A H > S+ 0 0 74 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.810 122.6 56.3 -61.0 -32.4 36.6 39.6 15.8 37 39 A E H > S+ 0 0 151 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.807 101.9 55.7 -73.0 -30.0 35.7 42.8 14.0 38 40 A D H > S+ 0 0 35 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.933 109.9 45.9 -60.8 -47.4 35.6 41.0 10.7 39 41 A L H X S+ 0 0 26 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.863 110.2 54.1 -65.1 -37.2 33.0 38.6 12.1 40 42 A D H X S+ 0 0 65 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.834 104.3 54.6 -69.2 -33.3 31.1 41.4 13.6 41 43 A K H X S+ 0 0 113 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.925 108.2 49.0 -64.0 -45.2 30.8 43.2 10.3 42 44 A L H <>S+ 0 0 10 -4,-1.7 5,-2.6 2,-0.2 6,-0.5 0.929 116.1 44.2 -58.0 -47.1 29.3 40.1 8.7 43 45 A R H ><5S+ 0 0 73 -4,-2.2 3,-1.8 3,-0.2 -2,-0.2 0.953 116.0 44.9 -59.3 -55.1 26.8 39.8 11.6 44 46 A N H 3<5S+ 0 0 138 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.1 58.6 -65.4 -33.3 26.0 43.5 11.6 45 47 A D T 3<5S- 0 0 80 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.417 115.9-115.7 -72.0 -1.2 25.7 43.6 7.8 46 48 A G T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.789 77.8 129.2 70.4 30.6 23.0 40.9 8.1 47 49 A Y < + 0 0 71 -5,-2.6 2,-0.5 -6,-0.2 -4,-0.2 0.678 58.0 59.8 -87.5 -22.1 25.1 38.3 6.2 48 50 A L > - 0 0 2 -6,-0.5 3,-1.2 -5,-0.2 -1,-0.1 -0.940 65.0-156.7-120.2 112.8 24.8 35.5 8.7 49 51 A M T 3 S+ 0 0 33 -2,-0.5 -1,-0.1 13,-0.3 14,-0.0 0.887 100.0 23.5 -54.1 -44.5 21.3 34.1 9.6 50 52 A F T 3 S- 0 0 1 2,-0.3 -1,-0.3 290,-0.1 3,-0.1 0.074 115.1-104.9-113.8 21.8 22.4 32.7 13.0 51 53 A Q S < S+ 0 0 56 -3,-1.2 2,-0.3 1,-0.2 -8,-0.1 0.735 87.9 111.3 64.1 26.3 25.4 35.1 13.4 52 54 A Q - 0 0 62 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.906 57.5-106.5-130.0 152.9 27.7 32.2 12.6 53 55 A V S S+ 0 0 22 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.834 75.0 82.0-109.1 158.0 30.1 31.0 9.9 54 56 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.316 61.5 165.8 -67.8 155.0 30.5 29.1 7.7 55 57 A M E -BC 6 64A 0 -49,-1.5 -49,-3.4 9,-0.2 2,-0.5 -0.982 17.7-164.8-140.1 135.2 28.6 31.1 5.1 56 58 A V E -BC 5 63A 0 7,-2.7 7,-2.3 -2,-0.3 2,-0.7 -0.988 13.4-146.5-121.8 123.0 28.7 30.6 1.4 57 59 A E E +BC 4 62A 51 -53,-2.6 -53,-2.1 -2,-0.5 2,-0.3 -0.833 42.4 147.0 -81.6 113.3 27.4 33.2 -1.1 58 60 A I E > - C 0 61A 6 3,-1.9 3,-2.0 -2,-0.7 5,-0.1 -0.962 58.4 -7.1-155.1 131.9 25.9 31.1 -4.0 59 61 A D T 3 S- 0 0 47 -58,-0.3 3,-0.1 -2,-0.3 -57,-0.0 0.858 128.0 -49.6 50.3 47.9 23.0 31.5 -6.4 60 62 A G T 3 S+ 0 0 89 1,-0.2 2,-0.3 -59,-0.0 -1,-0.3 0.438 116.9 110.3 76.8 2.1 21.6 34.6 -4.8 61 63 A M E < -C 58 0A 20 -3,-2.0 -3,-1.9 2,-0.0 2,-0.7 -0.779 63.3-145.4-110.5 151.3 21.7 33.1 -1.3 62 64 A K E -C 57 0A 83 -2,-0.3 2,-0.6 -5,-0.2 -13,-0.3 -0.798 34.1-164.6-107.5 82.4 23.7 33.6 1.8 63 65 A L E +C 56 0A 1 -7,-2.3 -7,-2.7 -2,-0.7 2,-0.2 -0.612 12.3 176.9 -78.6 113.1 23.8 30.0 2.9 64 66 A V E +C 55 0A 3 -2,-0.6 -9,-0.2 -9,-0.2 4,-0.1 -0.672 42.7 66.0-103.1 171.4 24.8 29.4 6.5 65 67 A Q S >> S- 0 0 19 -11,-0.8 4,-2.3 -2,-0.2 3,-0.5 0.754 77.5-117.3 78.9 113.1 24.9 26.0 8.2 66 68 A T H 3> S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 112.7 48.0 -39.7 -50.9 27.5 23.4 7.0 67 69 A R H 3> S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.841 109.0 51.4 -70.3 -38.6 24.8 20.9 6.0 68 70 A A H <> S+ 0 0 0 -3,-0.5 4,-2.1 230,-0.2 -1,-0.2 0.935 113.6 47.3 -57.8 -48.6 22.6 23.4 4.0 69 71 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.962 116.8 41.4 -55.1 -58.6 25.8 24.4 2.2 70 72 A L H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.876 113.0 53.6 -61.4 -41.8 26.9 20.9 1.4 71 73 A N H X S+ 0 0 9 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.900 112.0 45.3 -60.7 -43.2 23.4 19.6 0.5 72 74 A Y H X S+ 0 0 7 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.945 114.7 46.6 -65.6 -51.8 22.9 22.4 -2.0 73 75 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 111.5 52.1 -57.4 -45.7 26.3 22.0 -3.6 74 76 A A H <>S+ 0 0 0 -4,-2.8 5,-3.4 -5,-0.2 6,-0.4 0.910 113.8 42.6 -59.8 -44.8 25.9 18.2 -3.8 75 77 A S H ><5S+ 0 0 34 -4,-1.9 3,-1.6 4,-0.2 -2,-0.2 0.940 111.6 54.4 -65.9 -47.9 22.5 18.4 -5.6 76 78 A K H 3<5S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.846 116.2 37.8 -55.3 -38.3 23.6 21.2 -7.9 77 79 A Y T 3<5S- 0 0 65 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.002 115.0-107.8-110.6 27.4 26.6 19.3 -9.2 78 80 A N T < 5S+ 0 0 119 -3,-1.6 -3,-0.2 1,-0.1 3,-0.2 0.827 82.9 123.2 53.6 42.5 25.1 15.8 -9.3 79 81 A L < + 0 0 12 -5,-3.4 74,-2.9 -6,-0.2 75,-0.3 0.003 54.9 77.2-114.4 25.5 27.0 14.4 -6.3 80 82 A Y S S- 0 0 6 -6,-0.4 -1,-0.1 1,-0.4 10,-0.1 -0.009 101.6-100.8-127.5 29.2 23.8 13.5 -4.4 81 83 A G - 0 0 37 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.066 36.1 -85.1 76.0 179.7 22.7 10.2 -6.1 82 84 A K S S+ 0 0 155 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.688 96.5 10.1 -99.2 -21.3 20.0 9.7 -8.7 83 85 A D S > S- 0 0 56 -3,-0.1 4,-2.1 1,-0.0 3,-0.2 -0.890 85.0 -82.2-152.8 175.6 16.9 9.3 -6.5 84 86 A I H > S+ 0 0 44 -2,-0.3 4,-1.5 1,-0.2 198,-0.1 0.833 122.6 49.0 -53.8 -41.4 15.3 9.6 -3.0 85 87 A K H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.851 109.4 50.7 -74.3 -36.0 16.6 6.1 -1.8 86 88 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 109.3 52.6 -66.6 -36.6 20.2 6.8 -3.0 87 89 A R H X S+ 0 0 57 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.858 105.0 56.2 -63.3 -36.9 20.1 10.1 -1.1 88 90 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.917 110.3 43.3 -60.1 -47.3 18.9 8.1 2.0 89 91 A L H X S+ 0 0 62 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.913 114.8 50.5 -64.0 -43.7 22.0 5.9 1.8 90 92 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.936 111.8 47.3 -59.3 -48.2 24.2 8.9 1.1 91 93 A D H X S+ 0 0 3 -4,-3.2 4,-2.0 2,-0.2 184,-0.2 0.896 110.9 51.4 -60.0 -44.3 22.8 10.8 4.1 92 94 A M H X S+ 0 0 12 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.945 114.6 44.1 -57.6 -48.4 23.2 7.7 6.4 93 95 A Y H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.920 115.4 44.6 -62.8 -51.1 26.8 7.4 5.3 94 96 A I H X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.754 109.0 57.0 -72.7 -24.9 27.8 11.1 5.5 95 97 A E H X S+ 0 0 11 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.876 107.7 47.7 -73.1 -36.2 26.1 11.6 8.9 96 98 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.913 113.7 49.3 -61.9 -44.6 28.2 8.8 10.4 97 99 A I H X S+ 0 0 10 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.906 109.4 50.8 -57.9 -46.1 31.1 10.6 8.7 98 100 A A H X S+ 0 0 31 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.839 107.9 54.5 -63.7 -33.4 30.0 13.9 10.2 99 101 A D H X S+ 0 0 47 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.938 114.0 38.3 -65.3 -51.0 29.8 12.3 13.7 100 102 A L H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 3,-0.3 0.922 115.0 55.5 -63.6 -45.9 33.4 10.9 13.7 101 103 A G H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.854 105.0 53.9 -51.6 -40.5 34.5 14.2 11.9 102 104 A E H X S+ 0 0 63 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.859 105.7 51.9 -65.9 -39.6 33.0 16.2 14.8 103 105 A M H X S+ 0 0 40 -4,-1.3 4,-0.7 -3,-0.3 -2,-0.2 0.905 114.1 42.7 -62.4 -45.3 34.9 14.2 17.5 104 106 A I H >< S+ 0 0 27 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.887 111.6 55.8 -69.7 -39.7 38.3 14.8 15.7 105 107 A L H 3< S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.1 39.3 -57.0 -39.6 37.4 18.4 15.0 106 108 A L H >X S+ 0 0 74 -4,-1.7 3,-1.2 1,-0.2 4,-0.7 0.490 89.0 92.1 -96.1 -5.7 36.7 19.1 18.7 107 109 A L G X< S+ 0 0 14 -4,-0.7 3,-1.0 -3,-0.5 -1,-0.2 0.872 82.6 55.6 -59.0 -44.0 39.6 17.1 20.2 108 110 A P G 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.698 108.4 51.2 -58.0 -20.3 42.1 20.1 20.3 109 111 A V G <4 S+ 0 0 114 -3,-1.2 -2,-0.2 -4,-0.1 -3,-0.1 0.582 84.8 114.7 -93.4 -13.7 39.4 21.9 22.4 110 112 A C S << S- 0 0 21 -3,-1.0 5,-0.1 -4,-0.7 -3,-0.0 -0.313 81.3 -98.1 -59.3 134.1 39.0 19.1 24.9 111 113 A P >> - 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0 0 3 -6,-0.5 3,-1.2 -5,-0.2 -1,-0.2 -0.926 62.2-161.2-124.9 109.0 22.1 -0.5 13.0 256 51 B M T 3 S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.3 14,-0.0 0.867 99.9 21.8 -55.5 -42.6 24.8 0.7 10.6 257 52 B F T 3 S- 0 0 1 2,-0.3 -1,-0.3 -124,-0.0 3,-0.1 0.091 115.6-105.0-113.2 19.2 26.8 2.5 13.3 258 53 B Q S < S+ 0 0 63 -3,-1.2 2,-0.3 1,-0.2 -2,-0.1 0.681 87.3 111.0 64.2 21.9 25.3 0.5 16.2 259 54 B Q - 0 0 59 2,-0.1 -2,-0.3 -9,-0.0 -1,-0.2 -0.847 57.1-109.1-120.9 157.8 23.1 3.4 17.2 260 55 B V S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.798 74.3 86.8-109.6 162.7 19.5 4.4 17.3 261 56 B P + 0 0 4 0, 0.0 11,-0.9 0, 0.0 2,-0.3 0.376 61.3 167.7 -63.4 152.0 17.3 6.1 16.1 262 57 B M E -EF 213 271B 0 -49,-1.4 -49,-3.2 9,-0.2 2,-0.5 -0.987 17.2-164.0-138.2 132.4 16.6 3.6 13.3 263 58 B V E -EF 212 270B 0 7,-3.2 7,-2.7 -2,-0.3 2,-0.7 -0.974 12.0-149.4-119.4 122.1 13.6 3.6 11.0 264 59 B E E +EF 211 269B 45 -53,-2.7 -53,-2.4 -2,-0.5 2,-0.3 -0.819 38.9 153.8 -82.0 113.6 12.4 0.7 8.9 265 60 B I E > - F 0 268B 6 3,-1.7 3,-2.0 -2,-0.7 -2,-0.1 -0.969 58.1 -12.6-151.6 128.6 10.8 2.3 5.8 266 61 B D T 3 S- 0 0 66 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.862 128.7 -48.5 50.5 43.7 10.3 1.3 2.2 267 62 B G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.392 117.0 111.5 83.0 -2.5 12.6 -1.7 2.5 268 63 B M E < -F 265 0B 24 -3,-2.0 -3,-1.7 2,-0.0 2,-0.6 -0.678 61.6-144.5-102.3 155.8 15.4 0.3 4.1 269 64 B K E -F 264 0B 89 -2,-0.2 2,-0.6 -5,-0.2 -13,-0.3 -0.817 31.4-167.2-114.4 86.6 16.9 0.3 7.6 270 65 B L E +F 263 0B 1 -7,-2.7 -7,-3.2 -2,-0.6 2,-0.2 -0.664 12.0 176.5 -86.1 118.2 17.6 4.0 8.1 271 66 B V E +F 262 0B 4 -2,-0.6 -9,-0.2 -9,-0.2 4,-0.1 -0.666 45.3 65.8-104.8 173.5 19.8 5.2 10.9 272 67 B Q S >> S- 0 0 19 -11,-0.9 4,-2.2 -2,-0.2 3,-0.5 0.772 77.5-118.6 76.1 110.9 20.9 8.8 11.5 273 68 B T H 3> S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 113.1 48.8 -38.0 -52.1 18.2 11.3 12.4 274 69 B R H 3> S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 108.1 52.4 -69.2 -36.7 18.9 13.5 9.3 275 70 B A H <> S+ 0 0 0 -3,-0.5 4,-1.9 -184,-0.2 -1,-0.2 0.934 113.9 45.4 -58.7 -46.3 18.9 10.5 6.9 276 71 B I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.948 115.9 44.6 -60.3 -53.2 15.5 9.5 8.3 277 72 B L H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.897 111.8 51.8 -62.8 -44.9 14.1 13.1 8.2 278 73 B N H X S+ 0 0 10 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 110.6 49.2 -60.1 -41.5 15.4 13.9 4.7 279 74 B Y H X S+ 0 0 11 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.940 113.9 44.5 -63.2 -49.4 13.9 10.8 3.3 280 75 B I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 112.4 51.6 -61.6 -46.5 10.4 11.4 4.9 281 76 B A H <>S+ 0 0 0 -4,-2.8 5,-3.5 2,-0.2 6,-0.6 0.893 113.1 44.9 -59.0 -42.7 10.3 15.1 3.9 282 77 B S H ><5S+ 0 0 26 -4,-1.8 3,-1.6 -5,-0.2 -2,-0.2 0.947 111.8 52.3 -66.4 -48.5 11.1 14.3 0.2 283 78 B K H 3<5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.884 116.2 38.7 -54.2 -43.9 8.6 11.4 0.0 284 79 B Y T 3<5S- 0 0 72 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.077 115.3-109.8-103.9 23.1 5.7 13.5 1.4 285 80 B N T < 5S+ 0 0 115 -3,-1.6 -3,-0.2 1,-0.1 3,-0.2 0.845 82.1 123.1 55.2 44.9 6.6 16.7 -0.5 286 81 B L < + 0 0 12 -5,-3.5 74,-3.2 -6,-0.2 75,-0.3 0.105 53.4 78.4-116.6 17.7 7.7 18.7 2.6 287 82 B Y S S- 0 0 10 -6,-0.6 -1,-0.1 1,-0.4 11,-0.1 -0.011 105.0 -94.6-117.3 27.3 11.2 19.5 1.4 288 83 B G - 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0 0 83 -7,-0.4 -3,-0.2 -5,-0.2 -2,-0.1 -0.389 55.5-133.9 -60.2 128.1 3.8 12.2 21.0 410 205 B K - 0 0 12 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.532 8.5-120.2 -90.9 150.9 6.2 11.7 23.9 411 206 B P - 0 0 86 0, 0.0 -193,-0.5 0, 0.0 -1,-0.1 -0.327 48.2 -73.8 -76.1 166.0 6.4 13.5 27.2 412 207 B P - 0 0 72 0, 0.0 2,-0.4 0, 0.0 -41,-0.0 -0.361 60.9-102.8 -55.9 139.4 9.4 15.5 28.5 413 208 B M - 0 0 61 -3,-0.1 2,-0.1 4,-0.1 -196,-0.1 -0.565 39.9-162.0 -76.4 123.1 12.2 13.0 29.5 414 209 B D > - 0 0 96 -2,-0.4 4,-1.8 -3,-0.1 5,-0.1 -0.339 36.8 -95.1 -91.1 179.2 12.5 12.6 33.3 415 210 B E H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.879 123.1 54.8 -62.3 -38.7 15.5 11.1 35.2 416 211 B K H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 108.7 46.3 -61.8 -49.6 13.9 7.6 35.2 417 212 B S H > S+ 0 0 22 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.849 112.8 51.9 -60.1 -38.7 13.6 7.5 31.4 418 213 B L H X S+ 0 0 17 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.934 111.3 45.6 -63.9 -47.6 17.1 8.8 31.0 419 214 B E H X S+ 0 0 72 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.847 107.6 57.1 -66.9 -37.2 18.6 6.1 33.4 420 215 B E H X S+ 0 0 51 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.880 109.2 47.4 -60.0 -39.5 16.6 3.3 31.7 421 216 B A H X S+ 0 0 16 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.896 110.9 50.9 -67.0 -44.1 18.2 4.3 28.4 422 217 B R H <>S+ 0 0 85 -4,-2.0 5,-2.6 1,-0.2 -2,-0.2 0.901 109.9 50.0 -58.8 -45.2 21.7 4.4 30.0 423 218 B K H ><5S+ 0 0 127 -4,-2.7 3,-0.7 3,-0.2 -1,-0.2 0.836 106.7 55.9 -62.1 -35.7 21.2 0.9 31.5 424 219 B A H 3<5S+ 0 0 3 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.5 41.8 -67.1 -35.3 20.1 -0.3 28.0 425 220 B F T 3<5S- 0 0 45 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.420 111.5-129.4 -83.4 1.2 23.4 0.9 26.6 426 221 B R T < 5 0 0 148 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.885 360.0 360.0 37.9 52.0 25.0 -0.5 29.7 427 222 B F < 0 0 192 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.628 360.0 360.0 -89.3 360.0 26.8 2.8 30.3