==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-04 1TU7 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ONCHOCERCA VOLVULUS; . AUTHOR M.PERBANDT . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.8 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 . 6 1.4 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 . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 1 0 0 0 0 2 0 6 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 2 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 . 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 1 A M 0 0 135 0, 0.0 27,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 151.6 10.2 14.7 40.7 2 2 A S + 0 0 77 25,-0.1 54,-2.6 53,-0.1 2,-0.5 0.684 360.0 66.2 -86.9 -19.0 7.5 12.4 39.5 3 3 A Y E +A 55 0A 20 24,-0.4 26,-2.7 52,-0.2 2,-0.4 -0.902 59.7 172.8-101.5 130.5 8.9 11.7 36.0 4 4 A K E -Ab 54 29A 70 50,-2.2 50,-3.1 -2,-0.5 2,-0.5 -0.992 15.0-162.0-136.6 129.2 12.2 9.8 35.8 5 5 A L E -Ab 53 30A 0 24,-2.8 26,-2.6 -2,-0.4 2,-0.5 -0.960 8.6-162.1-113.3 120.8 13.8 8.6 32.5 6 6 A T E +Ab 52 31A 1 46,-3.0 46,-2.0 -2,-0.5 2,-0.3 -0.894 31.5 125.0-106.9 122.0 16.4 5.9 32.9 7 7 A Y E - b 0 32A 16 24,-2.1 26,-2.6 -2,-0.5 5,-0.0 -0.938 60.6 -72.7-157.1 175.6 18.8 5.3 30.1 8 8 A F E - b 0 33A 51 -2,-0.3 2,-1.6 24,-0.2 26,-0.2 -0.247 56.5 -94.8 -69.8 169.7 22.5 5.1 29.3 9 9 A S S S+ 0 0 60 24,-0.8 2,-0.3 23,-0.1 -1,-0.1 -0.320 98.8 81.0 -89.0 55.8 24.6 8.3 29.2 10 10 A I S S- 0 0 19 -2,-1.6 192,-0.2 1,-0.2 4,-0.2 -0.900 87.1-111.0-144.7 170.1 24.3 8.7 25.5 11 11 A R S >> S+ 0 0 13 190,-2.3 4,-1.4 -2,-0.3 3,-1.0 0.995 72.4 121.8 -70.8 -66.0 21.6 10.0 23.2 12 12 A G G >4 S- 0 0 6 190,-2.7 3,-0.5 1,-0.2 191,-0.1 0.005 87.9 -19.1 45.5-138.6 20.6 6.7 21.6 13 13 A L G 34 S+ 0 0 74 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.653 134.2 60.7 -76.7 -18.9 16.9 5.7 22.0 14 14 A A G X> S+ 0 0 0 -3,-1.0 4,-2.3 -4,-0.2 3,-0.9 0.718 81.2 83.0 -78.7 -25.3 16.2 8.0 24.9 15 15 A E H S+ 0 0 18 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.873 112.7 48.5 -59.8 -33.3 13.6 11.8 21.4 17 17 A I H <> S+ 0 0 1 -3,-0.9 4,-2.4 -4,-0.3 5,-0.2 0.917 110.8 49.0 -69.1 -47.2 11.9 11.3 24.8 18 18 A R H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.931 111.0 51.3 -54.8 -43.7 14.3 13.7 26.4 19 19 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.904 108.6 51.0 -63.1 -44.0 13.6 16.2 23.7 20 20 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.955 114.1 43.7 -52.7 -52.5 9.8 15.8 24.2 21 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.5 0.910 115.8 47.3 -65.9 -43.9 10.1 16.5 27.9 22 22 A V H ><5S+ 0 0 30 -4,-2.9 3,-1.1 -5,-0.2 -1,-0.2 0.948 114.8 45.2 -64.3 -48.2 12.5 19.4 27.5 23 23 A D H 3<5S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 115.7 46.1 -66.7 -37.2 10.5 21.1 24.8 24 24 A Q T 3<5S- 0 0 50 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.461 111.3-123.4 -81.7 -2.1 7.2 20.6 26.6 25 25 A D T < 5 + 0 0 84 -3,-1.1 2,-0.8 -4,-0.5 -3,-0.2 0.853 54.5 157.2 56.2 41.2 8.9 21.8 29.8 26 26 A I < - 0 0 8 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.866 40.3-133.6 -91.8 109.3 8.0 18.6 31.7 27 27 A K + 0 0 134 -2,-0.8 -24,-0.4 -3,-0.1 2,-0.3 -0.488 37.2 164.6 -71.4 135.2 10.5 18.5 34.5 28 28 A F - 0 0 33 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.986 44.5-104.9-147.3 156.4 12.1 15.1 34.9 29 29 A I E -b 4 0A 67 -26,-2.7 -24,-2.8 -2,-0.3 2,-1.2 -0.794 29.6-149.9 -81.2 115.5 15.0 13.2 36.5 30 30 A D E -b 5 0A 54 -2,-0.7 2,-1.1 -26,-0.2 -24,-0.2 -0.804 16.7-166.8 -87.3 89.3 17.4 12.4 33.6 31 31 A D E -b 6 0A 52 -26,-2.6 -24,-2.1 -2,-1.2 2,-0.7 -0.744 7.0-176.6 -90.1 93.9 18.7 9.2 35.1 32 32 A R E -b 7 0A 71 -2,-1.1 2,-0.3 -26,-0.2 -24,-0.2 -0.846 7.2-162.9 -99.3 113.4 21.8 8.4 33.1 33 33 A I E -b 8 0A 20 -26,-2.6 -24,-0.8 -2,-0.7 2,-0.1 -0.766 17.6-116.7-106.0 144.9 23.5 5.1 34.1 34 34 A A >> - 0 0 52 -2,-0.3 3,-1.3 -26,-0.2 4,-0.6 -0.418 28.0-115.7 -72.0 146.3 26.9 3.8 33.4 35 35 A K G >4 S+ 0 0 149 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.882 114.0 52.9 -46.0 -47.3 27.3 0.7 31.2 36 36 A D G 34 S+ 0 0 146 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.690 104.1 56.1 -73.4 -16.9 28.8 -1.3 34.1 37 37 A D G <4 S+ 0 0 96 -3,-1.3 4,-0.5 1,-0.2 -1,-0.3 0.546 87.8 78.6 -90.1 -6.2 26.0 -0.5 36.5 38 38 A F S XX S+ 0 0 22 -3,-1.2 3,-1.7 -4,-0.6 4,-1.6 0.900 80.0 64.8 -71.6 -41.8 23.2 -1.9 34.4 39 39 A S T 34 S+ 0 0 103 -4,-0.5 4,-0.4 1,-0.3 3,-0.3 0.856 98.9 55.0 -48.6 -41.4 23.7 -5.6 35.1 40 40 A S T 34 S+ 0 0 98 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.714 120.3 30.0 -68.5 -21.2 22.8 -5.1 38.7 41 41 A I T X4 S+ 0 0 41 -3,-1.7 3,-2.2 -4,-0.5 4,-0.2 0.475 88.0 104.1-114.4 -5.9 19.4 -3.5 37.9 42 42 A K G >< S+ 0 0 78 -4,-1.6 3,-1.7 -3,-0.3 6,-0.3 0.795 74.9 59.6 -53.1 -39.6 18.6 -5.2 34.5 43 43 A S G 3 S+ 0 0 100 -4,-0.4 -1,-0.3 1,-0.3 5,-0.1 0.679 90.6 71.7 -67.7 -15.5 15.9 -7.5 36.0 44 44 A Q G < S+ 0 0 108 -3,-2.2 2,-0.4 4,-0.1 -1,-0.3 0.624 86.8 78.1 -71.5 -13.9 13.9 -4.6 37.2 45 45 A F S X S- 0 0 7 -3,-1.7 3,-1.6 -4,-0.2 5,-0.1 -0.825 86.7-125.7-104.8 138.6 12.9 -3.8 33.6 46 46 A Q T 3 S+ 0 0 42 -2,-0.4 294,-0.2 1,-0.3 293,-0.1 0.743 110.5 22.6 -60.2 -31.5 10.3 -5.7 31.8 47 47 A F T 3 S- 0 0 9 2,-0.3 -1,-0.3 -5,-0.1 3,-0.1 0.166 112.1-108.2-113.9 14.7 12.5 -6.7 28.8 48 48 A G S < S+ 0 0 4 -3,-1.6 2,-0.3 -6,-0.3 -2,-0.1 0.715 87.6 98.8 69.1 21.5 15.8 -6.2 30.6 49 49 A Q - 0 0 99 2,-0.1 -2,-0.3 -7,-0.1 -1,-0.2 -0.865 61.2 -90.0-139.7 164.8 16.4 -3.0 28.6 50 50 A L S S+ 0 0 14 -2,-0.3 2,-0.2 -3,-0.1 -43,-0.1 -0.835 72.8 72.8-116.9 159.6 16.3 0.8 28.6 51 51 A P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.368 58.3 174.9 -78.6 158.2 14.9 3.4 28.2 52 52 A C E -AC 6 61A 0 -46,-2.0 -46,-3.0 9,-0.2 2,-0.5 -0.996 16.9-157.6-128.3 130.6 12.4 3.3 31.0 53 53 A L E -AC 5 60A 0 7,-3.2 7,-3.1 -2,-0.4 2,-0.6 -0.948 2.9-158.9-104.5 123.9 10.1 6.1 32.0 54 54 A Y E -AC 4 59A 50 -50,-3.1 -50,-2.2 -2,-0.5 2,-0.6 -0.914 10.5-176.3 -92.7 117.6 8.7 6.2 35.5 55 55 A D E > -AC 3 58A 15 3,-2.7 3,-2.1 -2,-0.6 -52,-0.2 -0.923 64.8 -60.4-116.5 97.8 5.6 8.2 35.5 56 56 A G T 3 S- 0 0 47 -54,-2.6 -52,-0.1 -2,-0.6 0, 0.0 -0.467 122.1 -15.2 56.2-124.3 4.5 8.4 39.1 57 57 A D T 3 S+ 0 0 151 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.316 117.4 101.2 -88.4 7.7 4.0 4.7 40.1 58 58 A Q E < -C 55 0A 32 -3,-2.1 -3,-2.7 2,-0.0 2,-0.6 -0.837 56.9-158.7-100.0 126.4 3.9 3.5 36.4 59 59 A Q E -C 54 0A 59 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.922 15.6-177.8-106.4 113.2 7.0 1.9 35.0 60 60 A I E +C 53 0A 1 -7,-3.1 -7,-3.2 -2,-0.6 2,-0.2 -0.945 5.9 178.9-120.2 114.7 7.0 2.0 31.2 61 61 A V E +C 52 0A 3 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.545 44.8 74.8-100.0 176.1 9.7 0.5 29.0 62 62 A Q S >> S- 0 0 19 -11,-0.8 4,-2.5 -2,-0.2 3,-0.5 0.839 71.0-128.0 80.5 107.8 9.8 0.5 25.2 63 63 A S H 3> S+ 0 0 7 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.829 107.2 49.5 -53.6 -40.9 10.8 3.9 23.7 64 64 A G H 3> S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.881 111.5 48.2 -68.4 -36.4 7.8 4.0 21.3 65 65 A A H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.890 111.4 51.5 -68.9 -36.7 5.3 3.2 24.1 66 66 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.949 111.0 47.7 -62.5 -50.1 6.9 5.8 26.3 67 67 A L H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.908 112.9 47.2 -60.1 -45.0 6.6 8.4 23.6 68 68 A R H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.867 111.0 52.5 -68.3 -33.9 3.0 7.6 22.8 69 69 A H H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.952 112.4 44.3 -63.7 -47.9 2.0 7.6 26.4 70 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.912 111.3 55.7 -61.1 -40.9 3.6 11.0 26.9 71 71 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 6,-0.6 0.901 109.1 45.6 -58.9 -45.2 1.9 12.2 23.7 72 72 A R H ><5S+ 0 0 63 -4,-2.3 3,-1.0 3,-0.2 -1,-0.2 0.945 113.4 49.9 -64.0 -43.8 -1.6 11.2 24.9 73 73 A K H 3<5S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 120.7 34.7 -63.0 -37.0 -1.0 12.8 28.3 74 74 A Y T 3<5S- 0 0 93 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.197 111.4-110.8-108.0 14.3 0.2 16.1 26.7 75 75 A N T < 5S+ 0 0 127 -3,-1.0 -3,-0.2 -4,-0.5 3,-0.2 0.839 80.7 124.5 61.7 36.2 -2.0 16.2 23.6 76 76 A L < + 0 0 9 -5,-2.6 73,-2.1 -6,-0.2 74,-0.3 -0.063 47.1 88.7-111.6 29.4 0.9 15.6 21.2 77 77 A N S S- 0 0 22 -6,-0.6 -1,-0.1 1,-0.4 71,-0.1 -0.027 101.4 -90.6-114.6 23.3 -0.8 12.6 19.6 78 78 A G - 0 0 14 69,-0.3 -1,-0.4 -3,-0.2 3,-0.1 0.050 31.4 -99.2 82.5 166.1 -2.8 14.4 16.8 79 79 A E S S+ 0 0 119 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.590 97.4 17.0-100.8 -14.1 -6.3 15.8 16.9 80 80 A N S > S- 0 0 78 -3,-0.1 4,-2.5 1,-0.0 3,-0.2 -0.928 89.3 -89.4-150.1 173.8 -8.1 13.0 15.1 81 81 A E H > S+ 0 0 61 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.857 122.0 52.0 -56.8 -43.8 -7.6 9.3 14.2 82 82 A M H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 111.6 46.1 -64.1 -38.9 -6.0 10.1 10.8 83 83 A E H > S+ 0 0 30 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.909 111.4 52.4 -68.6 -42.8 -3.5 12.4 12.4 84 84 A T H X S+ 0 0 13 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.910 113.4 44.4 -57.0 -44.4 -2.7 9.9 15.2 85 85 A T H X S+ 0 0 2 -4,-2.5 4,-3.0 -5,-0.2 -2,-0.2 0.912 112.1 53.4 -65.8 -43.4 -2.1 7.2 12.6 86 86 A Y H X S+ 0 0 19 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.933 108.9 46.1 -60.9 -48.5 -0.0 9.6 10.4 87 87 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.863 113.8 50.3 -65.6 -33.2 2.4 10.6 13.1 88 88 A D H X S+ 0 0 0 -4,-1.4 4,-2.9 -5,-0.3 5,-0.2 0.956 111.2 47.8 -65.3 -51.0 2.8 7.0 14.2 89 89 A M H X S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.921 114.4 47.3 -55.0 -46.6 3.5 5.9 10.6 90 90 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.950 111.9 49.4 -60.7 -49.0 6.0 8.8 10.2 91 91 A C H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 108.0 54.4 -60.9 -39.6 7.7 8.0 13.5 92 92 A E H X S+ 0 0 5 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.877 105.9 52.6 -62.7 -38.7 8.0 4.4 12.5 93 93 A G H X S+ 0 0 2 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.901 108.0 51.3 -61.4 -39.3 9.7 5.4 9.3 94 94 A V H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.933 107.8 52.4 -62.4 -42.6 12.2 7.4 11.4 95 95 A R H X S+ 0 0 62 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.878 105.4 55.1 -62.7 -36.1 12.8 4.4 13.6 96 96 A D H X S+ 0 0 43 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.904 108.1 48.2 -63.2 -42.5 13.6 2.3 10.5 97 97 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.917 109.1 54.8 -62.0 -40.3 16.2 4.9 9.4 98 98 A H H X S+ 0 0 20 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.864 103.6 54.7 -63.8 -32.8 17.6 4.7 12.9 99 99 A V H X S+ 0 0 83 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.925 110.9 45.6 -63.9 -43.2 17.9 0.9 12.6 100 100 A K H X S+ 0 0 72 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.930 113.9 48.8 -64.9 -46.6 20.0 1.4 9.5 101 101 A Y H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.942 113.0 46.7 -57.2 -49.6 22.1 4.1 11.1 102 102 A T H X S+ 0 0 34 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.844 107.6 55.8 -69.1 -31.3 22.7 2.0 14.2 103 103 A R H X>S+ 0 0 126 -4,-2.1 4,-2.3 2,-0.2 5,-0.6 0.947 112.3 44.6 -63.6 -43.8 23.7 -1.1 12.3 104 104 A M H X5S+ 0 0 4 -4,-2.0 4,-1.9 3,-0.2 -2,-0.2 0.963 115.3 48.0 -62.1 -49.9 26.3 0.9 10.5 105 105 A I H <5S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.894 122.9 30.3 -58.6 -45.5 27.5 2.6 13.7 106 106 A Y H <5S+ 0 0 100 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.735 131.8 28.0 -93.4 -24.1 27.8 -0.6 15.8 107 107 A M H <5S+ 0 0 134 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.661 133.4 11.0-112.3 -24.3 28.7 -3.2 13.2 108 108 A A >X< + 0 0 8 -4,-1.9 4,-2.5 -5,-0.6 3,-0.6 -0.019 69.5 134.6-154.2 36.8 30.5 -1.6 10.3 109 109 A Y H 3> S+ 0 0 46 -4,-0.4 4,-1.0 1,-0.2 5,-0.2 0.891 75.8 52.7 -64.2 -37.4 31.5 1.9 11.0 110 110 A E H 34 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.720 124.8 21.9 -75.8 -22.1 35.0 1.6 9.7 111 111 A T H <4 S+ 0 0 107 -3,-0.6 -2,-0.2 -7,-0.2 -1,-0.2 0.597 127.0 40.5-119.0 -13.7 34.0 0.2 6.3 112 112 A E H X S+ 0 0 84 -4,-2.5 4,-2.0 -8,-0.2 -3,-0.2 0.438 83.9 89.9-122.4 1.3 30.4 1.2 5.6 113 113 A K H X S+ 0 0 56 -4,-1.0 4,-2.6 -5,-0.4 5,-0.2 0.951 93.3 45.1 -58.6 -49.3 30.1 4.8 6.9 114 114 A D H > S+ 0 0 116 1,-0.2 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117.7 -75.4 62.8 23.4 1.4 22.2 5.8 137 137 A N G 3< S- 0 0 127 -4,-0.5 -1,-0.3 1,-0.3 -4,-0.2 0.659 76.6 -79.7 60.4 16.8 3.3 21.9 2.6 138 138 A G G < S+ 0 0 2 -3,-2.3 -1,-0.3 -6,-0.5 -2,-0.2 0.630 109.1 118.6 65.8 18.1 6.0 20.5 4.8 139 139 A R S < S+ 0 0 164 -3,-2.2 -2,-0.1 -6,-0.1 -3,-0.1 0.406 77.9 17.9 -99.7 0.3 7.0 24.0 5.7 140 140 A N S S- 0 0 44 1,-0.4 2,-0.2 -5,-0.3 5,-0.2 0.124 114.4 -27.6-132.1-110.9 6.3 23.8 9.5 141 141 A L B > -D 144 0B 5 3,-2.5 3,-1.3 40,-0.1 -1,-0.4 -0.519 70.0 -87.3-109.4-179.2 5.9 20.6 11.6 142 142 A I T 3 S+ 0 0 0 1,-0.3 -7,-0.1 -2,-0.2 -4,-0.1 0.903 130.8 32.6 -60.6 -38.7 4.8 17.1 10.7 143 143 A L T 3 S- 0 0 20 3,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.446 119.4-110.5 -92.8 2.2 1.1 17.9 11.3 144 144 A G B < S+D 141 0B 5 -3,-1.3 -3,-2.5 -9,-0.3 -1,-0.2 -0.928 90.6 5.8 105.3-110.7 1.5 21.5 10.1 145 145 A D S S+ 0 0 138 -2,-0.6 2,-0.5 -5,-0.2 -1,-0.1 0.610 117.0 72.5 -86.9 -12.5 1.1 24.1 12.9 146 146 A K S S- 0 0 117 -5,-0.1 -3,-0.6 1,-0.0 -2,-0.1 -0.902 77.6-124.8-116.6 132.7 0.9 21.8 15.9 147 147 A I - 0 0 27 -2,-0.5 2,-0.3 -5,-0.1 -69,-0.3 -0.348 28.4-178.5 -73.3 148.9 3.7 19.8 17.4 148 148 A S >> - 0 0 0 -71,-0.1 3,-1.2 -2,-0.1 4,-0.7 -0.909 43.8 -98.2-138.8 170.9 3.5 16.0 17.9 149 149 A Y H >> S+ 0 0 2 -73,-2.1 4,-1.2 -2,-0.3 3,-0.7 0.830 117.5 65.0 -62.7 -30.9 5.8 13.4 19.3 150 150 A A H 3> S+ 0 0 0 -74,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.810 89.9 66.6 -65.2 -27.9 7.0 12.4 15.8 151 151 A D H <> S+ 0 0 0 -3,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.891 100.3 49.3 -58.0 -39.9 8.6 15.9 15.4 152 152 A Y H < - 0 0 30 -4,-2.7 3,-2.3 -5,-0.1 -1,-0.3 -0.878 67.4-160.6-141.4 94.5 27.5 13.9 7.3 166 166 A P T 3 S+ 0 0 87 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.727 93.0 48.3 -51.2 -23.6 27.3 17.7 7.7 167 167 A H T > S+ 0 0 125 1,-0.2 3,-1.9 2,-0.1 4,-0.3 0.282 75.9 108.2 -98.0 5.7 26.1 18.0 4.1 168 168 A C T < S+ 0 0 11 -3,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.737 80.9 46.0 -64.3 -23.5 23.3 15.4 4.1 169 169 A L T > S+ 0 0 1 -3,-0.3 3,-1.6 -4,-0.2 7,-0.3 0.345 80.0 103.6 -98.1 6.7 20.4 17.8 4.1 170 170 A D T < S+ 0 0 90 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.876 89.3 38.0 -53.4 -44.1 21.9 20.0 1.3 171 171 A K T 3 S+ 0 0 176 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.336 107.5 70.1 -92.8 7.1 19.5 18.6 -1.2 172 172 A F <> + 0 0 26 -3,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.757 55.3 172.8-127.5 79.9 16.5 18.3 1.1 173 173 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.845 76.8 52.5 -65.7 -35.7 15.2 21.8 1.9 174 174 A L H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.938 114.8 43.7 -65.0 -42.0 12.1 20.9 3.8 175 175 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 113.0 50.9 -66.7 -42.6 14.1 18.6 6.1 176 176 A K H X S+ 0 0 99 -4,-2.5 4,-1.9 -7,-0.3 -2,-0.2 0.934 114.4 43.9 -61.8 -45.1 16.9 21.2 6.5 177 177 A V H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.884 113.2 52.1 -68.6 -38.3 14.4 23.9 7.4 178 178 A F H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.919 108.2 50.7 -61.7 -47.1 12.5 21.6 9.7 179 179 A H H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.929 113.9 44.5 -58.6 -42.4 15.7 20.6 11.6 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350 0D 6 -3,-1.4 -3,-2.4 -9,-0.3 -1,-0.2 -0.917 90.4 4.9 102.7-110.0 -7.0 -10.4 31.3 354 145 B D S S+ 0 0 141 -2,-0.7 2,-0.6 -5,-0.2 -1,-0.2 0.686 116.1 74.0 -86.8 -20.1 -10.6 -10.9 29.9 355 146 B K S S- 0 0 109 -3,-0.1 -3,-0.6 -5,-0.1 -2,-0.1 -0.869 77.3-129.5-103.3 125.9 -10.6 -8.5 27.0 356 147 B I - 0 0 30 -2,-0.6 2,-0.3 -5,-0.1 -69,-0.3 -0.280 29.2-177.8 -63.7 149.5 -8.8 -9.2 23.8 357 148 B S >> - 0 0 0 -71,-0.1 3,-1.3 -61,-0.0 4,-0.7 -0.923 43.6 -95.2-142.5 170.6 -6.5 -6.5 22.4 358 149 B Y H >> S+ 0 0 2 -73,-2.3 4,-1.3 -2,-0.3 3,-0.7 0.809 117.6 65.0 -60.5 -32.4 -4.3 -6.1 19.4 359 150 B A H 3> S+ 0 0 0 -74,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.792 90.6 65.6 -63.2 -27.7 -1.2 -7.3 21.3 360 151 B D H <> S+ 0 0 0 -3,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.882 100.5 49.5 -61.7 -38.9 -2.7 -10.7 21.7 361 152 B Y H < - 0 0 31 -4,-2.8 3,-2.3 -5,-0.1 -1,-0.3 -0.865 66.8-162.5-138.7 95.8 11.4 -25.2 18.0 375 166 B P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -4,-0.1 0.728 92.6 48.2 -55.0 -21.9 8.3 -27.4 18.7 376 167 B H 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68 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.890 110.5 54.1 -72.5 -36.6 -1.7 -22.0 27.4 387 178 B F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.916 109.0 49.1 -60.6 -42.9 -2.1 -18.6 25.8 388 179 B H H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 112.2 48.7 -65.2 -41.6 -1.1 -20.1 22.5 389 180 B Q H X S+ 0 0 85 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.921 112.0 49.3 -59.8 -46.8 -3.6 -22.9 23.0 390 181 B R H < S+ 0 0 105 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.908 113.4 45.1 -62.7 -45.7 -6.3 -20.5 23.9 391 182 B M H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.921 109.5 54.4 -66.4 -42.7 -5.8 -18.3 20.9 392 183 B K H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.786 105.4 56.1 -64.4 -25.8 -5.4 -21.2 18.4 393 184 B D T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.507 73.5 112.7 -85.4 -6.1 -8.8 -22.5 19.6 394 185 B R S X> S- 0 0 70 -3,-1.5 4,-2.5 -4,-0.3 3,-0.6 -0.573 74.8-130.3 -63.1 124.0 -10.7 -19.3 18.9 395 186 B P H 3> S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.810 101.9 49.9 -55.5 -38.7 -12.9 -20.5 16.0 396 187 B K H 3> S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.855 115.3 45.2 -67.7 -36.3 -12.2 -17.7 13.5 397 188 B L H <> S+ 0 0 3 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.877 111.8 51.4 -72.5 -36.0 -8.5 -18.2 14.0 398 189 B K H X S+ 0 0 91 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.947 111.9 47.0 -64.9 -46.5 -8.7 -22.0 13.9 399 190 B E H X S+ 0 0 124 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.932 114.6 47.2 -59.1 -45.2 -10.6 -21.8 10.6 400 191 B Y H X S+ 0 0 20 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.904 108.0 55.0 -67.2 -40.9 -8.1 -19.3 9.2 401 192 B C H X S+ 0 0 47 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.919 108.6 50.0 -55.5 -41.8 -5.1 -21.4 10.3 402 193 B E H X S+ 0 0 133 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 47.8 -68.0 -40.8 -6.5 -24.3 8.4 403 194 B K H X S+ 0 0 130 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.906 112.5 50.6 -61.6 -39.4 -7.0 -22.2 5.2 404 195 B R H <>S+ 0 0 14 -4,-2.7 5,-1.8 1,-0.2 4,-0.3 0.889 110.4 48.7 -70.1 -37.9 -3.4 -20.9 5.7 405 196 B D H ><5S+ 0 0 101 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.914 108.9 53.1 -66.2 -41.0 -2.1 -24.4 6.0 406 197 B A H 3<5S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.0 51.7 -60.9 -34.6 -4.0 -25.5 2.9 407 198 B A T 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.450 106.0-130.7 -83.8 -2.2 -2.4 -22.6 1.0 408 199 B K T < 5 - 0 0 167 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.855 34.6-171.6 59.2 40.5 1.1 -23.7 2.2 409 200 B V < - 0 0 24 -5,-1.8 -1,-0.2 1,-0.1 -190,-0.1 -0.480 15.6-133.0 -70.7 125.1 1.9 -20.2 3.3 410 201 B P - 0 0 45 0, 0.0 -190,-1.9 0, 0.0 -189,-0.1 -0.483 3.7-137.8 -73.6 148.6 5.6 -19.7 4.2 411 202 B V S S+ 0 0 2 -192,-0.2 -190,-2.5 -191,-0.2 2,-0.2 0.922 85.0 22.3 -65.9 -44.5 6.5 -18.0 7.4 412 203 B N S > S- 0 0 1 4,-0.3 3,-1.0 -192,-0.2 -192,-0.1 -0.707 80.8-109.1-127.7 171.0 9.3 -16.1 5.8 413 204 B G T 3 S+ 0 0 48 1,-0.2 -169,-0.1 -2,-0.2 -195,-0.1 0.537 113.1 52.3 -81.9 -10.9 10.5 -14.9 2.4 414 205 B N T 3 S- 0 0 55 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.225 110.0-115.3-108.0 8.5 13.4 -17.3 2.1 415 206 B G S < S+ 0 0 54 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.436 75.8 124.2 73.9 0.8 11.4 -20.5 2.8 416 207 B K 0 0 64 -102,-0.1 -4,-0.3 -6,-0.1 -2,-0.2 -0.715 360.0 360.0 -94.8 147.3 13.2 -21.2 6.1 417 208 B Q 0 0 67 -2,-0.3 -47,-0.1 -6,-0.1 -48,-0.0 -0.911 360.0 360.0-169.8 360.0 11.4 -21.6 9.4