==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-96 2GSR . COMPND 2 MOLECULE: CLASS PI GST GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.REINEMER,H.W.DIRR,R.HUBER . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.8 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 2 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 1 1 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 . 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 1 A P 0 0 94 0, 0.0 56,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 176.0 72.7 5.5 31.4 2 2 A P - 0 0 104 0, 0.0 54,-2.7 0, 0.0 2,-0.4 0.684 360.0-154.1 -72.4 167.6 71.7 3.0 30.1 3 3 A Y E +A 55 0A 11 24,-0.3 26,-2.6 52,-0.2 2,-0.4 -0.965 17.8 178.2-116.3 131.3 69.8 4.7 27.3 4 4 A T E -Ab 54 29A 21 50,-1.8 50,-2.4 -2,-0.4 2,-0.5 -0.999 12.3-159.2-133.2 126.7 66.7 3.4 25.4 5 5 A I E -Ab 53 30A 0 24,-2.9 26,-3.3 -2,-0.4 2,-0.5 -0.933 6.3-164.5-102.1 124.1 64.9 5.4 22.6 6 6 A T E +Ab 52 31A 0 46,-2.9 46,-1.9 -2,-0.5 2,-0.3 -0.969 35.4 125.5-105.7 123.2 61.3 4.2 22.0 7 7 A Y E - b 0 32A 20 24,-2.1 26,-2.6 -2,-0.5 -2,-0.0 -0.970 60.0 -77.4-165.9 171.3 60.0 5.6 18.7 8 8 A F - 0 0 57 -2,-0.3 2,-2.7 24,-0.2 26,-0.2 -0.328 62.4 -85.9 -71.1 161.0 58.5 4.8 15.3 9 9 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.287 96.6 94.1 -66.6 59.6 60.7 3.4 12.5 10 10 A V S S- 0 0 8 -2,-2.7 191,-0.2 1,-0.2 192,-0.1 -0.883 76.3-127.0-144.6 170.0 61.7 6.9 11.3 11 11 A R S >> S+ 0 0 43 189,-2.1 3,-2.4 190,-0.5 4,-1.1 0.913 72.3 116.6 -79.5 -65.4 64.4 9.6 11.6 12 12 A G T 34 S- 0 0 12 189,-2.2 3,-0.5 1,-0.3 4,-0.3 0.041 89.3 -7.3 42.9-126.1 61.9 12.3 12.5 13 13 A R T 34 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.337 133.5 59.0 -86.1 7.5 62.3 13.8 15.9 14 14 A C T <> S+ 0 0 0 -3,-2.4 4,-2.3 2,-0.1 -2,-0.2 0.641 78.5 80.4-110.5 -14.4 64.9 11.3 17.0 15 15 A E H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.5 5,-0.2 0.878 91.2 54.1 -66.7 -29.4 67.8 11.7 14.5 16 16 A A H > S+ 0 0 5 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.933 112.2 43.4 -67.3 -42.8 69.3 14.7 16.2 17 17 A M H > S+ 0 0 1 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.862 111.3 55.1 -72.5 -33.8 69.5 13.0 19.6 18 18 A R H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.967 110.3 46.0 -59.5 -49.7 70.9 9.8 17.9 19 19 A M H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.914 111.0 53.4 -59.3 -41.8 73.7 11.9 16.3 20 20 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.914 111.3 45.5 -59.1 -45.5 74.4 13.6 19.7 21 21 A L H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 3,-0.3 0.912 113.6 48.8 -68.0 -40.7 74.7 10.3 21.4 22 22 A A H ><5S+ 0 0 18 -4,-2.5 3,-2.2 1,-0.2 -2,-0.2 0.939 110.5 51.0 -62.7 -45.7 77.0 8.8 18.7 23 23 A D H 3<5S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.740 109.6 51.7 -65.3 -23.5 79.3 11.9 18.7 24 24 A Q T 3<5S- 0 0 51 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.162 118.3-113.0 -96.8 12.4 79.6 11.5 22.5 25 25 A D T < 5 + 0 0 118 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.752 67.6 144.3 60.8 32.0 80.5 7.8 22.2 26 26 A Q < - 0 0 53 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.689 38.8-148.8 -98.9 155.3 77.3 6.5 23.8 27 27 A S + 0 0 104 -2,-0.3 -24,-0.3 2,-0.0 2,-0.3 -0.816 20.2 176.1-112.4 161.4 75.5 3.4 23.0 28 28 A W - 0 0 48 -2,-0.3 2,-0.3 -26,-0.1 -24,-0.2 -0.981 29.4-110.9-158.9 160.5 71.7 3.1 23.3 29 29 A K E -b 4 0A 143 -26,-2.6 -24,-2.9 -2,-0.3 2,-0.6 -0.749 22.4-143.6 -99.6 144.8 68.9 0.6 22.6 30 30 A E E -b 5 0A 39 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.933 10.9-168.1-106.4 112.1 66.4 1.3 19.9 31 31 A E E -b 6 0A 84 -26,-3.3 -24,-2.1 -2,-0.6 2,-0.5 -0.929 17.1-152.8-102.8 113.9 62.9 0.0 20.8 32 32 A V E -b 7 0A 84 -2,-0.7 2,-0.4 -26,-0.2 -24,-0.2 -0.770 6.1-157.8 -93.7 127.6 60.9 0.3 17.5 33 33 A V - 0 0 4 -26,-2.6 2,-0.2 -2,-0.5 -2,-0.0 -0.862 10.9-167.7-107.1 137.0 57.1 0.8 17.7 34 34 A T > - 0 0 66 -2,-0.4 4,-2.6 -26,-0.2 3,-0.2 -0.652 40.7 -90.2-115.7 176.9 54.9 -0.1 14.8 35 35 A M T 4 S+ 0 0 168 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 0.878 126.1 48.0 -53.3 -39.4 51.3 0.5 13.7 36 36 A E T 4 S+ 0 0 168 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.884 117.2 39.7 -71.7 -38.5 50.2 -2.7 15.6 37 37 A T T > S+ 0 0 70 -3,-0.2 4,-1.3 1,-0.1 -2,-0.2 0.702 101.7 72.7 -89.6 -12.7 52.0 -1.9 18.9 38 38 A W H >X S+ 0 0 40 -4,-2.6 4,-2.8 2,-0.2 3,-0.5 0.952 87.7 57.2 -68.5 -50.3 51.3 1.8 19.0 39 39 A P H 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.870 112.7 41.7 -58.2 -38.0 47.5 1.8 19.9 40 40 A P H 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 -2,-0.2 0.833 119.3 45.2 -68.7 -31.1 48.1 -0.3 23.2 41 41 A L H XX S+ 0 0 34 -4,-1.3 3,-1.7 -3,-0.5 4,-0.5 0.852 96.3 77.1 -79.7 -31.8 51.2 1.7 24.1 42 42 A K G >< S+ 0 0 77 -4,-2.8 3,-1.2 1,-0.3 6,-0.2 0.804 87.8 54.4 -52.8 -43.0 49.7 5.1 23.4 43 43 A P G 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.780 105.6 54.9 -64.7 -23.4 47.6 5.5 26.5 44 44 A S G <4 S+ 0 0 77 -3,-1.7 2,-0.5 -4,-0.3 -2,-0.2 0.526 85.0 96.4 -86.4 -3.0 50.7 4.8 28.8 45 45 A C S X< S- 0 0 0 -3,-1.2 3,-2.3 -4,-0.5 5,-0.1 -0.772 80.3-131.7 -85.1 128.1 52.7 7.7 27.2 46 46 A L T 3 S+ 0 0 24 -2,-0.5 -1,-0.1 1,-0.3 291,-0.1 0.861 106.5 24.5 -47.9 -48.8 52.3 10.8 29.4 47 47 A F T 3 S- 0 0 29 2,-0.3 -1,-0.3 287,-0.1 3,-0.1 0.029 114.8-110.3-108.9 29.3 51.5 13.1 26.5 48 48 A R S < S+ 0 0 64 -3,-2.3 2,-0.3 -6,-0.2 -2,-0.1 0.651 86.2 95.1 53.8 20.6 50.2 10.2 24.3 49 49 A Q - 0 0 115 2,-0.1 -2,-0.3 -6,-0.1 -1,-0.2 -0.909 65.3 -95.7-138.3 162.4 53.2 10.5 21.9 50 50 A L S S+ 0 0 17 -2,-0.3 -43,-0.1 -3,-0.1 2,-0.1 -0.811 73.8 81.6-108.0 157.0 56.7 9.2 21.1 51 51 A P + 0 0 5 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.301 53.9 177.3 -70.4 151.9 59.7 9.6 21.5 52 52 A K E -AC 6 61A 33 -46,-1.9 -46,-2.9 9,-0.2 2,-0.4 -0.951 8.7-165.9-116.2 143.9 60.0 8.1 24.9 53 53 A F E -AC 5 60A 1 7,-2.9 7,-3.2 -2,-0.4 2,-0.5 -0.999 7.4-159.9-136.3 130.5 63.6 8.1 26.3 54 54 A Q E -AC 4 59A 58 -50,-2.4 -50,-1.8 -2,-0.4 2,-0.5 -0.960 8.6-178.5-112.9 133.0 64.9 6.1 29.3 55 55 A D E > S-AC 3 58A 25 3,-3.1 3,-1.9 -2,-0.5 2,-0.4 -0.856 70.8 -60.4-125.2 93.1 68.1 7.1 31.1 56 56 A G T 3 S- 0 0 29 -54,-2.7 -52,-0.0 -2,-0.5 -1,-0.0 -0.548 122.7 -15.7 64.9-115.9 68.6 4.5 33.8 57 57 A D T 3 S+ 0 0 169 -2,-0.4 2,-0.6 -56,-0.2 -1,-0.3 0.255 116.1 98.3-104.2 16.5 65.4 4.9 35.8 58 58 A L E < -C 55 0A 15 -3,-1.9 -3,-3.1 2,-0.0 2,-0.5 -0.921 55.5-163.8-102.9 126.7 64.4 8.4 34.4 59 59 A T E -C 54 0A 59 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.956 14.2-178.8-106.5 124.0 61.7 8.1 31.8 60 60 A L E -C 53 0A 0 -7,-3.2 -7,-2.9 -2,-0.5 2,-0.3 -0.884 13.9-171.9-122.8 158.2 61.3 11.2 29.7 61 61 A Y E +C 52 0A 24 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.1 -0.798 50.8 73.2-131.0 175.0 59.1 12.3 26.8 62 62 A Q S >> S- 0 0 27 -11,-0.7 4,-1.8 -2,-0.3 3,-1.2 0.906 70.8-127.6 78.8 102.6 59.3 15.5 24.6 63 63 A S H 3> S+ 0 0 10 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.802 106.7 47.2 -50.4 -41.6 62.2 15.5 22.1 64 64 A N H 3> S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.839 108.8 54.2 -73.0 -30.0 63.6 18.9 23.1 65 65 A A H <> S+ 0 0 0 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.880 110.1 48.9 -68.1 -35.3 63.5 18.1 26.9 66 66 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.942 111.5 48.3 -68.9 -43.8 65.5 14.9 26.1 67 67 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 112.5 48.7 -64.3 -42.2 68.0 17.0 24.0 68 68 A R H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.892 110.6 52.4 -65.5 -31.6 68.3 19.5 26.9 69 69 A H H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.920 111.2 44.9 -68.2 -44.3 68.8 16.6 29.3 70 70 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.886 110.6 55.2 -69.3 -32.6 71.6 15.2 27.2 71 71 A G H X>S+ 0 0 1 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.921 111.6 44.9 -64.3 -40.2 73.1 18.8 26.9 72 72 A R H ><5S+ 0 0 46 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.961 114.0 48.9 -67.2 -49.6 73.1 19.1 30.6 73 73 A S H 3<5S+ 0 0 54 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.812 121.3 34.1 -62.9 -33.0 74.5 15.6 31.1 74 74 A F H 3<5S- 0 0 47 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.298 110.2-105.3-110.5 12.0 77.4 16.0 28.5 75 75 A G T <<5S+ 0 0 61 -4,-0.8 3,-0.2 -3,-0.8 -3,-0.2 0.848 78.5 131.4 71.7 34.2 78.4 19.7 28.8 76 76 A L < + 0 0 12 -5,-2.7 72,-2.2 -6,-0.3 73,-0.3 -0.215 42.3 87.0-113.0 41.0 76.6 20.7 25.6 77 77 A Y S S- 0 0 22 1,-0.4 3,-0.2 -6,-0.3 -1,-0.2 -0.074 98.6 -88.3-132.0 33.9 74.7 23.7 26.8 78 78 A G - 0 0 32 68,-0.3 -1,-0.4 -3,-0.2 65,-0.1 -0.031 44.8 -81.7 82.7 168.2 77.2 26.6 26.4 79 79 A K S S- 0 0 143 -3,-0.1 2,-0.3 66,-0.1 -1,-0.2 0.621 100.2 -0.3 -90.7 -10.7 79.9 27.9 28.8 80 80 A D S > S- 0 0 67 -3,-0.2 4,-2.5 1,-0.0 5,-0.1 -0.939 88.0 -76.0-159.1-173.9 77.7 30.1 31.1 81 81 A Q H > S+ 0 0 87 -2,-0.3 4,-1.6 2,-0.2 5,-0.1 0.809 124.2 51.2 -65.4 -36.4 74.2 31.3 31.8 82 82 A K H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 112.2 47.1 -67.8 -41.8 74.1 33.9 28.9 83 83 A E H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.911 108.1 55.8 -66.5 -38.9 75.3 31.2 26.4 84 84 A A H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.884 106.9 50.7 -59.2 -37.4 72.7 28.8 27.8 85 85 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.948 111.7 48.0 -63.4 -48.6 70.0 31.4 27.1 86 86 A L H X S+ 0 0 45 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.897 109.5 51.5 -60.1 -41.1 71.3 31.8 23.5 87 87 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.926 110.1 51.2 -64.7 -39.5 71.4 28.0 23.0 88 88 A D H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.933 109.8 48.5 -62.6 -44.0 67.8 27.8 24.2 89 89 A M H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.898 111.3 49.9 -62.8 -41.3 66.7 30.5 21.8 90 90 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.947 111.0 49.4 -64.1 -45.5 68.5 28.9 18.8 91 91 A N H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.826 108.7 52.3 -64.4 -36.7 66.9 25.5 19.6 92 92 A D H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.855 107.2 52.7 -69.1 -32.4 63.4 27.1 19.8 93 93 A G H X S+ 0 0 5 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.913 110.5 48.6 -65.7 -40.7 63.9 28.7 16.3 94 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.932 109.4 52.4 -61.8 -44.2 64.8 25.3 15.0 95 95 A E H X S+ 0 0 27 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.912 106.1 54.0 -63.1 -39.1 61.7 23.8 16.6 96 96 A D H X S+ 0 0 48 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.946 113.8 41.1 -61.2 -44.6 59.4 26.4 15.0 97 97 A L H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.908 112.6 55.7 -70.4 -34.6 60.7 25.6 11.6 98 98 A R H X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.893 107.4 49.9 -63.6 -37.2 60.7 21.8 12.4 99 99 A C H X S+ 0 0 46 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.875 111.0 48.8 -72.3 -33.0 57.0 22.1 13.3 100 100 A K H X S+ 0 0 82 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.910 109.6 52.1 -72.5 -36.2 56.3 23.9 9.9 101 101 A Y H X S+ 0 0 5 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.881 108.9 51.4 -64.6 -36.1 58.2 21.3 8.0 102 102 A A H X S+ 0 0 30 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.859 106.8 52.8 -71.4 -35.2 56.1 18.6 9.7 103 103 A T H X>S+ 0 0 78 -4,-1.7 4,-2.5 2,-0.2 5,-1.0 0.944 111.5 46.3 -61.9 -47.0 52.9 20.4 8.7 104 104 A L H X5S+ 0 0 9 -4,-2.1 4,-1.5 3,-0.2 5,-0.3 0.976 116.6 45.0 -57.1 -53.5 54.0 20.5 5.0 105 105 A I H <5S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.915 124.1 30.9 -61.4 -48.8 55.0 16.8 5.1 106 106 A Y H <5S+ 0 0 120 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.632 132.8 20.6 -92.3 -15.4 52.0 15.4 6.9 107 107 A T H <5S+ 0 0 108 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.642 133.4 14.0-123.9 -16.5 49.0 17.7 5.9 108 108 A N X< + 0 0 80 -4,-1.5 4,-2.7 -5,-1.0 5,-0.4 0.059 67.2 141.6-153.6 35.9 49.9 19.5 2.7 109 109 A Y H > S+ 0 0 34 -4,-0.4 4,-1.8 -5,-0.3 -4,-0.1 0.899 77.9 35.5 -55.7 -56.6 52.9 18.1 0.8 110 110 A E H 4 S+ 0 0 138 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.889 126.9 35.7 -67.7 -44.9 51.9 18.3 -2.9 111 111 A A H 4 S+ 0 0 81 1,-0.1 4,-0.4 2,-0.1 3,-0.2 0.882 123.1 43.2 -77.1 -37.3 49.9 21.6 -2.7 112 112 A G H X S+ 0 0 9 -4,-2.7 4,-2.4 -8,-0.2 3,-0.4 0.733 86.6 89.6 -83.0 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0.864 109.5 51.8 -77.0 -28.5 60.3 29.7 26.2 273 65 B A H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.869 109.8 51.1 -68.8 -36.2 64.0 30.7 26.1 274 66 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.922 111.7 47.4 -68.0 -38.8 63.0 33.9 28.1 275 67 B L H X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.931 110.8 50.3 -67.6 -43.0 61.2 31.7 30.6 276 68 B R H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.911 111.1 49.8 -61.7 -40.0 64.1 29.2 30.9 277 69 B H H X S+ 0 0 7 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.933 112.4 45.5 -62.1 -46.8 66.6 32.1 31.5 278 70 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.878 109.3 58.3 -66.7 -30.9 64.4 33.7 34.2 279 71 B G H X>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.2 4,-0.7 0.927 109.8 42.7 -61.6 -44.8 64.0 30.1 35.6 280 72 B R H ><5S+ 0 0 56 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.948 113.0 53.3 -68.8 -45.2 67.8 29.9 36.0 281 73 B S H 3<5S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.808 120.9 30.1 -58.5 -34.1 68.1 33.5 37.3 282 74 B F H 3<5S- 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.363 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313 105 B I H 3<5S+ 0 0 0 -4,-2.6 4,-0.4 1,-0.3 -2,-0.2 0.880 124.4 35.2 -51.5 -53.2 42.3 31.3 17.5 314 106 B Y H 3<5S+ 0 0 116 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.651 132.8 17.3 -84.4 -17.9 44.2 32.8 14.6 315 107 B T H <<5S+ 0 0 104 -4,-2.4 -3,-0.2 -3,-0.5 -2,-0.2 0.737 131.8 13.6-127.6 -30.7 43.1 30.5 11.8 316 108 B N T X S+ 0 0 153 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.865 114.7 48.4 -68.4 -34.2 33.8 22.6 18.8 323 115 B K H > S+ 0 0 127 -3,-0.5 4,-2.0 -4,-0.4 5,-0.2 0.958 114.2 47.2 -66.2 -52.1 36.3 20.0 17.5 324 116 B Y H X S+ 0 0 22 -4,-2.7 4,-1.4 1,-0.2 3,-0.3 0.917 112.1 48.9 -53.7 -51.9 39.0 21.6 19.6 325 117 B V H < S+ 0 0 32 -4,-2.9 3,-0.3 -5,-0.3 -1,-0.2 0.879 109.9 53.4 -64.2 -34.8 36.9 21.7 22.6 326 118 B K H < S+ 0 0 161 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.827 113.9 41.1 -72.5 -29.0 35.9 18.0 22.1 327 119 B E H >X S+ 0 0 83 -4,-2.0 3,-1.0 -3,-0.3 4,-0.8 0.636 91.8 92.3 -90.4 -9.2 39.6 16.9 21.9 328 120 B L H >X S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.3 4,-1.5 0.865 72.7 62.5 -57.5 -45.9 40.7 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51.4 14.8 36.8 339 131 B L H < S+ 0 0 0 -4,-2.5 6,-0.8 1,-0.2 3,-0.3 0.910 109.2 48.7 -61.3 -37.8 49.6 16.6 39.6 340 132 B S H X S+ 0 0 63 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.908 109.9 51.2 -73.3 -32.4 48.2 13.3 41.1 341 133 B Q H < S+ 0 0 149 -4,-2.2 2,-0.8 -5,-0.2 -1,-0.2 0.742 102.9 73.4 -68.9 -25.2 51.6 11.6 41.0 342 134 B N T ><>S- 0 0 31 -4,-1.4 3,-2.1 -3,-0.3 5,-0.6 -0.802 122.5 -47.9-106.4 103.8 53.2 14.6 42.8 343 135 B Q G >45S- 0 0 108 -2,-0.8 3,-1.7 1,-0.3 -1,-0.2 0.849 106.6 -60.3 50.7 42.7 52.5 15.2 46.5 344 136 B G G 3<5S- 0 0 50 -4,-0.5 -1,-0.3 1,-0.3 -4,-0.2 0.642 86.8 -73.5 64.8 18.7 48.7 14.7 46.2 345 137 B G G < 5S+ 0 0 0 -3,-2.1 -1,-0.3 -6,-0.8 -2,-0.2 0.511 111.1 116.7 74.2 6.3 48.3 17.6 43.7 346 138 B Q T < 5S+ 0 0 125 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.526 72.8 31.5 -85.1 -7.5 48.8 19.9 46.7 347 139 B A S > - 0 0 1 -70,-0.1 3,-1.4 -2,-0.1 4,-0.8 -0.832 41.3 -98.7-124.9 169.7 59.2 26.3 38.4 356 148 B F H 3> S+ 0 0 0 -72,-2.2 4,-1.6 -2,-0.3 3,-0.3 0.811 120.6 65.4 -62.5 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43.2 30.3 32.6 367 159 B I H X S+ 0 0 9 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.855 111.0 53.1 -76.3 -27.4 42.9 31.1 28.9 368 160 B H H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 7,-0.2 0.863 102.1 57.6 -76.8 -27.3 41.3 27.8 28.2 369 161 B Q H < S+ 0 0 62 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.783 108.0 48.4 -69.5 -25.6 38.6 28.4 31.0 370 162 B V H < S+ 0 0 68 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.913 113.6 46.7 -72.3 -45.1 37.7 31.5 29.0 371 163 B L H < S+ 0 0 3 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.896 136.1 10.0 -60.1 -43.9 37.5 29.5 25.8 372 164 B N S >< S- 0 0 36 -4,-2.9 3,-2.9 -5,-0.1 -1,-0.3 -0.765 71.9-159.3-145.0 92.4 35.5 26.7 27.4 373 165 B P T 3 S+ 0 0 103 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.696 92.1 41.9 -54.9 -26.2 34.2 27.6 30.9 374 166 B S T > S+ 0 0 63 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.206 77.0 115.0-106.8 21.7 33.7 24.0 32.0 375 167 B C T < S+ 0 0 15 -3,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.737 76.2 52.3 -67.2 -22.9 36.9 22.5 30.5 376 168 B L T > S+ 0 0 4 -3,-0.3 3,-1.3 -4,-0.2 7,-0.3 0.277 77.0 104.3 -95.5 18.1 38.3 21.6 34.0 377 169 B D T < S+ 0 0 130 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.900 84.3 44.2 -66.0 -39.8 35.2 19.7 35.2 378 170 B A T 3 S+ 0 0 75 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.457 108.6 67.8 -81.0 0.5 36.7 16.3 34.8 379 171 B F <> + 0 0 7 -3,-1.3 4,-2.0 1,-0.1 -1,-0.2 -0.720 52.7 169.0-127.9 85.2 40.0 17.6 36.3 380 172 B P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.830 80.8 48.9 -63.0 -40.4 39.7 18.4 40.1 381 173 B L H > S+ 0 0 36 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.908 111.5 52.1 -71.3 -33.4 43.4 18.8 40.9 382 174 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 111.1 47.3 -70.6 -36.6 43.7 21.1 37.8 383 175 B S H X S+ 0 0 45 -4,-2.0 4,-2.2 -7,-0.3 -2,-0.2 0.933 114.8 45.1 -69.4 -42.8 40.8 23.2 39.1 384 176 B A H X S+ 0 0 41 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.918 112.5 53.3 -63.9 -42.0 42.2 23.4 42.6 385 177 B Y H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.4 0.943 107.4 49.4 -57.4 -50.4 45.7 24.2 41.2 386 178 B V H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.964 115.2 46.1 -56.6 -45.9 44.3 27.1 39.1 387 179 B A H X S+ 0 0 64 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.916 113.9 46.6 -62.1 -45.4 42.6 28.5 42.2 388 180 B R H >< S+ 0 0 70 -4,-3.1 3,-1.2 2,-0.2 4,-0.4 0.977 115.9 43.4 -62.3 -54.6 45.6 28.1 44.5 389 181 B L H >< S+ 0 0 2 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.878 110.5 55.8 -65.3 -36.5 48.2 29.6 42.2 390 182 B S H 3< S+ 0 0 20 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.744 102.8 57.8 -65.8 -22.3 45.9 32.4 41.2 391 183 B A T << S+ 0 0 60 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.522 70.4 121.2 -88.6 -3.1 45.6 33.3 44.9 392 184 B R S X> S- 0 0 73 -3,-1.4 4,-3.0 -4,-0.4 3,-0.8 -0.449 73.6-122.9 -58.0 124.8 49.3 33.8 45.4 393 185 B P H 3> S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.768 106.4 43.3 -53.6 -38.2 49.3 37.5 46.6 394 186 B K H 3> S+ 0 0 81 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.883 118.4 45.8 -76.2 -31.2 51.7 39.0 44.0 395 187 B I H <> S+ 0 0 0 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.949 112.4 51.5 -73.4 -44.8 50.0 37.0 41.2 396 188 B K H X S+ 0 0 137 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.888 111.0 49.0 -55.0 -43.3 46.5 38.0 42.5 397 189 B A H X S+ 0 0 59 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.927 112.0 47.5 -63.8 -44.1 47.7 41.6 42.5 398 190 B F H >< S+ 0 0 15 -4,-2.0 3,-0.8 1,-0.2 6,-0.4 0.922 109.3 53.4 -63.4 -44.2 49.0 41.3 38.9 399 191 B L H 3< S+ 0 0 21 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 110.1 48.2 -65.9 -25.4 45.7 39.7 37.7 400 192 B A H 3< S+ 0 0 72 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.670 89.2 116.4 -81.6 -20.8 43.7 42.5 39.2 401 193 B S S S+ 0 0 67 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.939 110.4 58.9 -51.9 -44.8 44.6 47.5 34.9 403 195 B E H 4 S+ 0 0 118 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.888 112.0 39.7 -54.3 -43.2 47.6 46.5 32.7 404 196 B H H >4 S+ 0 0 10 -6,-0.4 3,-0.9 -3,-0.2 -1,-0.2 0.933 119.3 43.7 -73.7 -47.7 46.5 42.9 32.9 405 197 B V H 3< S+ 0 0 73 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.803 107.9 59.8 -73.0 -23.3 42.8 43.4 32.6 406 198 B N T 3< S+ 0 0 129 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.1 0.427 90.8 75.8 -89.2 4.0 42.9 46.0 29.8 407 199 B R S < S- 0 0 33 -3,-0.9 -189,-0.2 -4,-0.2 3,-0.0 -0.917 82.7-114.7-117.4 141.3 44.7 44.0 27.2 408 200 B P - 0 0 63 0, 0.0 -189,-2.0 0, 0.0 -188,-0.2 -0.302 17.7-125.7 -62.5 154.7 43.1 41.2 25.1 409 201 B I S S+ 0 0 3 -191,-0.2 -189,-2.5 -190,-0.2 -190,-0.6 0.967 95.6 22.5 -66.4 -49.7 44.2 37.7 25.5 410 202 B N S > S- 0 0 9 4,-0.4 3,-0.9 -192,-0.2 -1,-0.1 -0.759 78.8-119.4-122.4 164.6 44.8 37.5 21.8 411 203 B G T 3 S+ 0 0 49 -2,-0.3 -1,-0.0 1,-0.2 -193,-0.0 0.389 102.2 56.8 -84.5 4.0 45.4 40.0 19.0 412 204 B N T 3 S- 0 0 57 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.203 110.1-105.0-117.4 17.6 42.4 39.3 16.8 413 205 B G S < S+ 0 0 71 -3,-0.9 2,-0.2 1,-0.3 -2,-0.1 0.244 83.6 122.8 80.2 -21.4 39.5 39.9 19.2 414 206 B K 0 0 64 -101,-0.1 -4,-0.4 -6,-0.0 -2,-0.3 -0.533 360.0 360.0 -83.7 153.0 38.9 36.1 19.4 415 207 B Q 0 0 96 -2,-0.2 -47,-0.1 -3,-0.1 -48,-0.0 -0.939 360.0 360.0-165.3 360.0 38.9 34.4 22.8