==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-97 14GS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.OAKLEY,M.LO BELLO,G.RICCI,G.FEDERICI,M.W.PARKER . 388 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.2 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 . 4 1.0 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 . 12 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 46.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 2 0 0 0 2 2 0 4 0 0 0 0 2 0 0 0 0 0 0 0 2 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A P 0 0 121 0, 0.0 44,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 68.4 30.6 2.4 38.0 2 3 A Y E +aB 27 44A 22 24,-0.5 26,-2.1 42,-0.2 2,-0.4 -0.938 360.0 178.1-116.7 140.5 27.6 2.3 35.7 3 4 A T E -aB 28 43A 34 40,-1.7 40,-2.3 -2,-0.4 2,-0.5 -0.998 8.3-165.1-138.5 129.9 24.0 2.4 36.7 4 5 A V E -aB 29 42A 0 24,-2.5 26,-1.2 -2,-0.4 2,-0.6 -0.983 4.3-160.9-119.4 126.4 21.1 2.4 34.2 5 6 A V E +aB 30 41A 20 36,-2.7 36,-1.4 -2,-0.5 2,-0.3 -0.945 33.8 129.4-108.2 120.3 17.6 3.4 35.4 6 7 A Y E -a 31 0A 14 24,-1.1 26,-1.5 -2,-0.6 24,-0.1 -0.954 57.1 -78.9-159.3 173.1 14.7 2.2 33.1 7 8 A F - 0 0 60 -2,-0.3 2,-1.0 24,-0.2 26,-0.2 -0.115 60.5 -89.9 -70.6 173.0 11.4 0.5 33.0 8 9 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.164 99.9 89.5 -82.5 45.4 11.3 -3.3 33.1 9 10 A V S S- 0 0 10 -2,-1.0 4,-0.2 179,-0.2 181,-0.2 -0.956 79.4-126.6-136.4 155.3 11.6 -3.6 29.3 10 11 A R >> + 0 0 34 179,-2.0 3,-2.8 -2,-0.3 4,-1.6 0.937 67.5 128.4 -64.4 -49.4 14.4 -3.8 26.8 11 12 A G G >4 S- 0 0 16 179,-1.8 3,-0.5 178,-0.4 4,-0.3 0.130 85.4 -10.4 33.4-121.6 13.0 -0.8 24.9 12 13 A R G 34 S+ 0 0 58 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.344 134.0 62.3 -87.1 5.8 15.7 1.8 24.3 13 14 A C G <> S+ 0 0 0 -3,-2.8 4,-2.8 -4,-0.2 5,-0.3 0.609 75.3 87.8-103.3 -16.3 18.2 0.2 26.7 14 15 A A H S+ 0 0 3 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.943 113.4 42.1 -59.9 -54.1 21.4 -1.5 22.7 16 17 A L H > S+ 0 0 1 -4,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.816 113.6 54.2 -66.5 -28.4 23.5 -0.0 25.5 17 18 A R H X S+ 0 0 14 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.963 110.0 46.6 -68.2 -46.4 23.0 -3.2 27.6 18 19 A M H X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.3 5,-0.3 0.939 112.7 51.5 -58.2 -45.6 24.3 -5.2 24.6 19 20 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.959 113.6 42.4 -55.9 -55.8 27.2 -2.7 24.4 20 21 A L H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 4,-0.2 0.952 115.7 49.8 -57.0 -50.0 28.1 -2.9 28.0 21 22 A A H ><5S+ 0 0 15 -4,-3.4 3,-1.5 1,-0.2 -2,-0.2 0.932 113.3 45.3 -55.1 -50.2 27.7 -6.7 28.0 22 23 A D H 3<5S+ 0 0 12 -4,-3.2 -1,-0.2 1,-0.3 153,-0.2 0.850 110.4 53.6 -65.1 -35.9 29.9 -7.2 25.0 23 24 A Q T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.348 114.8-115.6 -82.0 6.1 32.6 -4.8 26.2 24 25 A G T < 5 + 0 0 47 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.2 0.842 65.8 145.7 64.6 34.2 32.8 -6.8 29.4 25 26 A Q < - 0 0 74 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.772 40.6-138.5-103.2 151.1 31.6 -3.9 31.6 26 27 A S + 0 0 97 -2,-0.3 -24,-0.5 2,-0.0 2,-0.3 -0.841 25.1 171.3-109.9 144.0 29.5 -4.3 34.7 27 28 A W E -a 2 0A 49 -2,-0.4 2,-0.5 -26,-0.1 -24,-0.2 -0.911 29.8-120.2-144.2 168.6 26.5 -2.1 35.6 28 29 A K E -a 3 0A 118 -26,-2.1 -24,-2.5 -2,-0.3 2,-0.2 -0.962 23.9-145.3-115.9 129.8 23.7 -1.9 38.1 29 30 A E E -a 4 0A 47 -2,-0.5 2,-0.2 -26,-0.2 -24,-0.2 -0.583 10.5-168.8 -89.4 158.8 20.1 -1.9 36.9 30 31 A E E -a 5 0A 91 -26,-1.2 -24,-1.1 -2,-0.2 -2,-0.0 -0.721 16.9-142.9-152.2 92.9 17.4 0.1 38.7 31 32 A V E -a 6 0A 90 -2,-0.2 2,-0.5 -26,-0.2 -24,-0.2 -0.190 6.2-156.7 -60.2 145.9 13.9 -0.7 37.6 32 33 A V - 0 0 46 -26,-1.5 -1,-0.1 0, 0.0 2,-0.1 -0.845 14.4-163.1-125.5 86.3 11.2 2.0 37.4 33 34 A T 0 0 111 -2,-0.5 -26,-0.0 -26,-0.2 0, 0.0 -0.413 360.0 360.0 -66.6 153.3 7.9 0.3 37.7 34 35 A V 0 0 189 -2,-0.1 -1,-0.1 0, 0.0 -27,-0.0 0.874 360.0 360.0 -47.3 360.0 4.9 2.4 36.5 35 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 36 49 A Y 0 0 98 0, 0.0 14,-0.0 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 360.0 14.5 15.4 30.3 37 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 51 A Q 0 0 158 0, 0.0 13,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.1 11.3 9.8 29.7 39 52 A L + 0 0 35 11,-0.1 13,-0.2 12,-0.1 2,-0.2 0.042 360.0 112.0 -59.1-179.9 14.1 7.5 30.8 40 53 A P - 0 0 2 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.447 46.3-172.7 -69.8 167.7 16.7 5.8 30.5 41 54 A K E -BC 5 50A 65 -36,-1.4 -36,-2.7 9,-0.2 2,-0.4 -0.974 4.4-160.9-129.6 139.1 18.9 7.6 33.0 42 55 A F E -BC 4 49A 0 7,-2.5 7,-2.9 -2,-0.4 2,-0.5 -0.980 6.6-162.5-129.0 139.2 22.6 6.7 33.1 43 56 A Q E +BC 3 48A 56 -40,-2.3 -40,-1.7 -2,-0.4 2,-0.5 -0.992 10.4 175.6-124.3 116.9 25.0 7.4 35.9 44 57 A D E > S-BC 2 47A 33 3,-2.9 3,-2.2 -2,-0.5 2,-0.2 -0.915 75.6 -49.8-120.7 97.2 28.7 7.1 35.2 45 58 A G T 3 S- 0 0 42 -44,-1.4 -42,-0.1 -2,-0.5 0, 0.0 -0.545 122.3 -27.0 69.6-134.1 30.4 8.2 38.4 46 59 A D T 3 S+ 0 0 137 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.466 115.3 111.9 -90.3 2.0 28.7 11.4 39.2 47 60 A L E < -C 44 0A 18 -3,-2.2 -3,-2.9 1,-0.0 2,-0.6 -0.619 52.3-164.2 -77.1 125.1 27.9 12.0 35.5 48 61 A T E -C 43 0A 46 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.947 8.8-176.4-118.0 112.1 24.2 11.7 34.9 49 62 A L E -C 42 0A 0 -7,-2.9 -7,-2.5 -2,-0.6 2,-0.3 -0.719 9.5-170.4-106.7 157.5 23.0 11.3 31.4 50 63 A Y E +C 41 0A 65 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.854 52.6 59.4-133.9 168.2 19.5 11.1 29.8 51 64 A Q S > S- 0 0 33 -11,-0.8 4,-2.0 -13,-0.4 3,-0.3 0.756 75.2-119.5 74.9 117.4 18.5 10.2 26.2 52 65 A S H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.875 112.4 49.3 -54.4 -45.0 19.5 6.7 24.9 53 66 A N H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.875 106.5 56.7 -67.0 -33.1 21.6 8.0 22.1 54 67 A T H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.945 109.8 45.8 -60.9 -45.6 23.5 10.4 24.4 55 68 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.939 110.8 53.1 -62.1 -47.3 24.4 7.4 26.5 56 69 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.916 111.9 44.6 -55.4 -46.6 25.4 5.4 23.4 57 70 A R H X S+ 0 0 3 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.940 112.2 53.0 -65.7 -42.5 27.7 8.2 22.2 58 71 A H H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.3 5,-0.3 0.921 112.7 42.8 -55.8 -52.2 29.2 8.6 25.7 59 72 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 6,-0.3 0.837 113.4 56.1 -63.1 -33.3 30.0 4.9 26.0 60 73 A G H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.3 4,-0.4 0.944 110.9 41.7 -64.5 -47.1 31.3 5.2 22.4 61 74 A R H ><5S+ 0 0 48 -4,-3.1 3,-0.8 3,-0.2 -2,-0.2 0.968 121.9 39.0 -64.1 -53.2 33.7 8.0 23.2 62 75 A T H 3<5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.753 121.8 41.6 -71.6 -30.5 35.0 6.6 26.5 63 76 A L T 3<5S- 0 0 43 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.304 112.2-114.8 -99.0 5.7 35.1 2.9 25.5 64 77 A G T < 5S+ 0 0 52 -3,-0.8 -3,-0.2 -4,-0.4 3,-0.2 0.869 74.1 130.6 65.1 41.0 36.5 3.7 22.0 65 78 A L < + 0 0 7 -5,-2.7 72,-2.4 -6,-0.3 73,-0.3 -0.408 43.5 93.2-117.4 52.4 33.6 2.5 19.9 66 79 A Y S S- 0 0 20 1,-0.5 -1,-0.1 -6,-0.3 3,-0.1 -0.032 96.0 -83.8-135.5 33.5 33.4 5.6 17.7 67 80 A G - 0 0 19 68,-0.3 -1,-0.5 -3,-0.2 3,-0.1 -0.047 41.7 -90.9 85.1 166.1 35.5 4.9 14.7 68 81 A K S S+ 0 0 129 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.570 102.3 10.0 -92.4 -14.1 39.2 5.2 14.2 69 82 A D S > S- 0 0 66 -3,-0.1 4,-2.7 1,-0.0 3,-0.3 -0.971 88.2 -88.0-155.5 169.9 39.2 8.8 12.9 70 83 A Q H > S+ 0 0 100 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.792 121.9 57.6 -55.2 -31.9 36.9 11.8 12.4 71 84 A Q H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.965 111.1 40.7 -65.4 -49.6 35.7 10.5 9.0 72 85 A E H > S+ 0 0 15 -3,-0.3 4,-3.1 1,-0.2 5,-0.2 0.920 109.8 60.0 -64.9 -41.7 34.5 7.2 10.4 73 86 A A H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.925 104.8 50.0 -52.5 -45.3 33.0 9.0 13.5 74 87 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.921 111.1 47.9 -61.3 -43.4 30.8 11.0 11.1 75 88 A L H X S+ 0 0 45 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.913 108.7 54.7 -65.3 -38.8 29.7 7.9 9.3 76 89 A V H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.933 110.3 46.5 -58.2 -47.5 29.0 6.1 12.6 77 90 A D H X S+ 0 0 0 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.962 111.6 51.6 -59.2 -49.2 26.7 9.1 13.6 78 91 A M H X S+ 0 0 18 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.854 112.2 45.6 -56.1 -41.0 25.0 9.0 10.2 79 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 3,-0.5 0.952 112.2 51.3 -69.4 -45.7 24.3 5.3 10.5 80 93 A N H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.3 -2,-0.2 0.898 107.9 52.6 -57.9 -42.0 23.1 5.7 14.1 81 94 A D H X S+ 0 0 16 -4,-3.0 4,-1.9 2,-0.2 -1,-0.3 0.816 108.3 51.0 -64.9 -31.3 20.7 8.5 13.1 82 95 A G H X S+ 0 0 4 -4,-1.2 4,-2.3 -3,-0.5 5,-0.2 0.955 111.2 47.5 -69.1 -47.5 19.2 6.3 10.4 83 96 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.957 112.4 50.3 -54.6 -51.3 18.7 3.5 12.9 84 97 A E H X S+ 0 0 26 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.840 107.1 54.6 -56.0 -39.5 17.2 6.0 15.3 85 98 A D H X S+ 0 0 85 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.922 111.7 43.6 -61.9 -45.6 14.9 7.3 12.5 86 99 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.886 109.6 57.3 -68.2 -37.7 13.5 3.8 11.8 87 100 A R H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.826 101.8 56.7 -62.7 -33.0 13.2 3.1 15.6 88 101 A C H X S+ 0 0 73 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.893 107.5 47.7 -66.2 -36.8 11.0 6.1 15.9 89 102 A K H X S+ 0 0 95 -4,-1.2 4,-2.7 -3,-0.2 -2,-0.2 0.942 111.7 50.4 -69.1 -44.5 8.6 4.6 13.3 90 103 A Y H X S+ 0 0 4 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.941 110.6 48.5 -56.1 -53.0 8.7 1.3 15.1 91 104 A I H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.869 111.6 51.3 -56.8 -37.7 7.9 2.9 18.4 92 105 A S H X>S+ 0 0 53 -4,-1.9 4,-1.9 -5,-0.2 5,-0.7 0.900 110.9 47.5 -67.3 -41.6 5.1 4.8 16.7 93 106 A L H <5S+ 0 0 2 -4,-2.7 5,-0.5 3,-0.2 3,-0.3 0.998 114.1 46.9 -59.6 -62.8 3.7 1.6 15.2 94 107 A I H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.878 123.8 29.4 -44.0 -61.8 3.8 -0.3 18.5 95 108 A Y H <5S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.683 133.9 24.1 -80.4 -17.2 2.2 2.3 20.7 96 109 A T T <5S+ 0 0 98 -4,-1.9 2,-0.9 -3,-0.3 3,-0.3 0.640 128.3 8.7-110.8 -95.1 0.0 4.0 18.1 97 110 A N S > + 0 0 32 -2,-0.9 4,-1.8 -5,-0.5 -1,-0.2 0.964 70.0 49.6 -65.4 -54.0 -0.2 -1.3 15.5 99 112 A E H 4 S+ 0 0 132 -3,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.852 129.0 19.6 -53.8 -43.4 -3.4 -3.0 14.6 100 113 A A H >> S+ 0 0 70 -7,-0.1 3,-0.9 2,-0.1 4,-0.6 0.866 123.8 53.2 -96.2 -43.9 -3.9 -1.2 11.3 101 114 A G H 3X S+ 0 0 11 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.708 86.2 81.8 -67.0 -23.4 -0.4 0.1 10.5 102 115 A K H 3X S+ 0 0 53 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.2 0.868 91.9 51.5 -50.5 -41.5 1.4 -3.3 10.9 103 116 A D H <> S+ 0 0 107 -3,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.976 114.8 38.9 -59.9 -59.5 0.4 -4.2 7.3 104 117 A D H X S+ 0 0 96 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.856 112.4 59.9 -60.9 -36.9 1.6 -1.1 5.6 105 118 A Y H X S+ 0 0 34 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.924 106.8 44.2 -58.7 -49.7 4.7 -1.0 7.9 106 119 A V H < S+ 0 0 54 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.820 109.3 57.7 -68.0 -29.6 5.9 -4.4 6.7 107 120 A K H < S+ 0 0 153 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.942 114.3 38.8 -64.4 -42.8 5.2 -3.5 3.1 108 121 A A H >X S+ 0 0 53 -4,-2.2 4,-1.3 1,-0.2 3,-1.1 0.711 91.6 91.0 -80.3 -21.8 7.6 -0.5 3.5 109 122 A L H >X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.3 3,-0.5 0.830 80.2 57.9 -44.0 -46.5 10.2 -2.3 5.6 110 123 A P H 3> S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.900 105.4 50.8 -55.4 -40.3 12.4 -3.4 2.7 111 124 A G H <4 S+ 0 0 46 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.1 0.837 111.5 49.6 -64.9 -31.0 12.8 0.2 1.5 112 125 A Q H << S+ 0 0 68 -4,-1.3 4,-0.4 -3,-0.5 -1,-0.2 0.854 115.1 41.6 -74.9 -39.2 13.8 1.1 5.0 113 126 A L H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-1.0 0.787 94.7 79.9 -82.7 -25.6 16.4 -1.7 5.4 114 127 A K H 3X S+ 0 0 110 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.854 86.3 58.9 -51.6 -42.0 17.9 -1.4 1.9 115 128 A P H 3> S+ 0 0 46 0, 0.0 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30.1 15.5 346 162 B H H X S+ 0 0 0 -4,-1.0 4,-3.5 -3,-0.3 -1,-0.2 0.890 99.8 60.0 -80.4 -37.0 9.6 29.8 18.6 347 163 B E H < S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.606 108.1 49.4 -63.4 -13.3 9.6 33.6 19.3 348 164 B V H < S+ 0 0 63 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.775 113.0 43.8 -93.8 -34.7 8.0 33.8 15.9 349 165 B L H < S+ 0 0 7 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.947 136.9 13.2 -72.4 -52.8 5.3 31.1 16.6 350 166 B A S >< S- 0 0 9 -4,-3.5 3,-1.8 -5,-0.1 -1,-0.3 -0.814 85.4-151.4-127.6 86.8 4.5 32.5 20.0 351 167 B P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.335 82.4 24.5 -58.6 137.8 6.1 35.9 20.4 352 168 B G T > S+ 0 0 25 -5,-0.1 3,-2.3 1,-0.0 4,-0.4 0.331 79.5 123.8 88.6 -6.7 6.9 36.6 24.1 353 169 B C G X S+ 0 0 26 -3,-1.8 3,-0.5 1,-0.3 -6,-0.1 0.767 73.5 56.3 -56.6 -28.4 7.2 33.0 25.1 354 170 B L G > S+ 0 0 5 -4,-0.2 3,-1.1 1,-0.2 7,-0.5 0.435 82.2 86.6 -84.6 -0.2 10.7 33.8 26.3 355 171 B D G < S+ 0 0 131 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 82.9 58.2 -68.9 -30.1 9.6 36.5 28.7 356 172 B A G < S+ 0 0 77 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.496 102.2 63.2 -76.0 -4.2 8.9 34.0 31.5 357 173 B F <> - 0 0 11 -3,-1.1 4,-2.2 1,-0.1 5,-0.2 -0.779 58.2-179.2-128.4 92.1 12.6 32.9 31.3 358 174 B P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.870 84.0 50.9 -55.8 -42.5 15.2 35.6 32.1 359 175 B L H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.943 111.2 46.5 -64.1 -46.9 18.2 33.3 31.5 360 176 B L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.954 111.6 51.2 -59.4 -52.2 17.1 32.2 28.0 361 177 B S H X S+ 0 0 44 -4,-2.2 4,-1.8 -7,-0.5 -1,-0.2 0.843 111.4 47.3 -54.9 -38.6 16.2 35.7 26.9 362 178 B A H X S+ 0 0 50 -4,-1.8 4,-3.1 -5,-0.2 -1,-0.2 0.898 111.6 53.1 -69.1 -38.9 19.6 37.0 27.9 363 179 B Y H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.937 107.7 48.5 -61.0 -51.7 21.1 34.0 26.2 364 180 B V H X S+ 0 0 19 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.925 115.7 46.3 -57.5 -40.7 19.4 34.7 22.9 365 181 B G H X S+ 0 0 41 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.919 111.3 50.7 -68.0 -41.9 20.5 38.3 23.2 366 182 B R H >< S+ 0 0 77 -4,-3.1 3,-0.8 2,-0.2 4,-0.2 0.972 117.8 37.8 -60.5 -55.1 24.1 37.5 24.1 367 183 B L H >< S+ 0 0 3 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.901 110.5 59.3 -65.0 -44.2 24.5 35.0 21.2 368 184 B S H 3< S+ 0 0 30 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.700 102.4 57.1 -57.8 -22.3 22.5 37.1 18.7 369 185 B A T << S+ 0 0 50 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.525 73.1 124.0 -88.5 -6.1 25.0 39.9 19.3 370 186 B R S X> S- 0 0 72 -3,-2.2 4,-3.2 -4,-0.2 3,-0.8 -0.409 71.3-120.6 -58.1 122.4 28.1 37.9 18.3 371 187 B P H 3> S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.781 106.0 33.2 -26.7 -76.6 29.8 39.9 15.5 372 188 B K H 3> S+ 0 0 120 1,-0.2 4,-2.0 -153,-0.2 5,-0.1 0.783 120.9 51.8 -60.9 -29.5 29.7 37.4 12.6 373 189 B L H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.930 106.3 52.1 -74.4 -45.9 26.4 35.9 13.8 374 190 B K H X S+ 0 0 117 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.930 111.0 49.4 -55.3 -47.3 24.6 39.2 14.0 375 191 B A H >X S+ 0 0 63 -4,-2.0 3,-1.5 -5,-0.3 4,-0.8 0.955 111.7 47.3 -57.9 -52.1 25.7 40.0 10.5 376 192 B F H >< S+ 0 0 16 -4,-2.0 3,-1.0 1,-0.3 6,-0.3 0.887 108.6 54.9 -58.4 -41.3 24.5 36.7 9.1 377 193 B L H 3< S+ 0 0 31 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.640 111.6 46.0 -66.4 -16.4 21.2 37.0 10.9 378 194 B A H << S+ 0 0 74 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.478 90.9 107.9-102.5 -7.7 20.7 40.3 9.2 379 195 B S S XX S- 0 0 25 -3,-1.0 4,-2.6 -4,-0.8 3,-1.8 -0.400 76.6-125.5 -73.6 150.7 21.7 39.1 5.7 380 196 B P H 3> S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.858 111.0 69.6 -60.3 -33.4 19.1 38.6 2.9 381 197 B E H 34 S+ 0 0 96 2,-0.2 -4,-0.1 1,-0.1 -5,-0.1 0.769 115.8 22.6 -52.7 -32.2 20.5 35.1 2.7 382 198 B Y H X4 S+ 0 0 18 -3,-1.8 3,-1.7 -6,-0.3 -1,-0.1 0.843 124.0 49.2-101.0 -61.2 18.9 34.4 6.0 383 199 B V H 3< S+ 0 0 73 -4,-2.6 -2,-0.2 -7,-0.3 -6,-0.1 0.806 110.6 51.1 -51.0 -39.2 16.1 37.0 6.4 384 200 B N T 3< S+ 0 0 122 -4,-2.3 -1,-0.3 -5,-0.3 -3,-0.1 0.463 88.8 92.3 -84.6 -1.0 14.6 36.3 3.0 385 201 B L S < S- 0 0 43 -3,-1.7 -179,-0.2 -5,-0.2 2,-0.1 -0.742 82.3-117.0 -91.9 135.5 14.3 32.5 3.3 386 202 B P - 0 0 58 0, 0.0 -179,-2.0 0, 0.0 -178,-0.4 -0.438 15.1-131.1 -70.5 151.0 11.0 31.2 4.6 387 203 B I S S+ 0 0 8 -181,-0.2 -179,-1.8 -180,-0.2 2,-0.3 0.961 87.0 22.8 -65.6 -48.2 11.3 29.4 7.9 388 204 B N S > S- 0 0 7 4,-0.3 3,-0.9 -181,-0.1 -1,-0.1 -0.801 71.7-125.4-122.1 162.0 9.2 26.4 6.7 389 205 B G T 3 S+ 0 0 52 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.948 107.7 55.7 -68.1 -49.6 8.3 24.8 3.4 390 206 B N T 3 S- 0 0 61 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.378 114.6-114.8 -66.3 4.3 4.5 24.8 3.8 391 207 B G S < S+ 0 0 59 -3,-0.9 2,-0.3 1,-0.2 -1,-0.1 0.610 76.9 123.0 73.2 10.9 4.8 28.6 4.3 392 208 B K 0 0 61 1,-0.1 -4,-0.3 -6,-0.0 -1,-0.2 -0.781 360.0 360.0-104.8 152.2 3.6 28.4 8.0 393 209 B Q 0 0 89 -2,-0.3 -1,-0.1 -6,-0.1 -45,-0.0 0.290 360.0 360.0-166.7 360.0 5.5 29.7 11.0