==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-MAY-05 1ZL9 . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR I.A.KRIKSUNOV,Q.LIU,D.J.SCHULLER,A.M.CAMPBELL,J.BARRETT,P.M. . 414 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 74.9 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 . 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 . 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 . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.1 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 2 2 0 2 2 2 2 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 248 0, 0.0 2,-0.3 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 48.6 31.6 6.1 -0.8 2 2 A V - 0 0 69 1,-0.1 2,-0.5 56,-0.0 56,-0.0 -0.482 360.0-144.6 -69.3 126.0 28.9 6.6 1.9 3 3 A S - 0 0 73 -2,-0.3 56,-2.5 26,-0.0 2,-0.4 -0.819 12.2-160.7-104.9 127.3 25.4 6.1 0.6 4 4 A Y E +A 58 0A 21 -2,-0.5 26,-2.6 24,-0.3 2,-0.4 -0.917 12.3 175.5-110.6 133.6 22.5 8.2 1.9 5 5 A K E -Ab 57 30A 64 52,-1.9 52,-3.0 -2,-0.4 2,-0.5 -0.986 11.1-162.1-137.8 121.0 18.8 7.4 1.7 6 6 A L E -Ab 56 31A 0 24,-3.1 26,-2.6 -2,-0.4 2,-0.6 -0.911 4.5-162.6-107.5 125.8 16.1 9.6 3.3 7 7 A T E +Ab 55 32A 1 48,-2.8 48,-1.7 -2,-0.5 2,-0.3 -0.939 31.9 126.6-111.9 118.6 12.7 8.1 3.9 8 8 A Y E - b 0 33A 33 24,-2.3 26,-2.9 -2,-0.6 5,-0.1 -0.902 58.4 -74.8-150.9 175.4 9.8 10.4 4.5 9 9 A F E - b 0 34A 73 -2,-0.3 2,-2.0 24,-0.3 26,-0.2 -0.219 58.4 -88.1 -67.2 163.4 6.3 11.3 3.2 10 10 A N S S+ 0 0 92 24,-0.9 2,-0.3 23,-0.1 197,-0.2 -0.576 100.4 71.3 -74.9 78.5 5.7 13.2 -0.0 11 11 A G S S- 0 0 9 -2,-2.0 4,-0.1 1,-0.2 193,-0.0 -0.954 87.9-103.8-176.4 171.0 5.9 16.6 1.6 12 12 A R S >> S+ 0 0 15 -2,-0.3 4,-1.5 3,-0.1 3,-1.0 0.984 74.6 116.9 -71.2 -73.9 8.3 19.1 3.1 13 13 A G G >4 S- 0 0 48 194,-2.2 3,-0.5 1,-0.2 4,-0.4 -0.007 91.5 -20.9 48.1-137.0 7.4 18.6 6.8 14 14 A A G 34 S+ 0 0 38 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.609 135.8 58.6 -83.6 -14.8 10.1 17.2 9.1 15 15 A G G X> S+ 0 0 0 -3,-1.0 4,-1.7 1,-0.1 3,-0.7 0.714 84.4 82.3 -80.2 -23.4 12.2 15.7 6.3 16 16 A E H S+ 0 0 19 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.906 107.2 49.7 -62.0 -37.9 15.6 20.3 6.5 18 18 A S H <> S+ 0 0 2 -3,-0.7 4,-2.4 -4,-0.3 -1,-0.2 0.896 108.9 52.7 -63.6 -42.0 17.7 17.2 5.8 19 19 A R H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.895 110.3 48.8 -60.8 -37.0 16.9 17.5 2.1 20 20 A Q H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.849 107.4 54.1 -74.6 -33.7 18.1 21.2 2.2 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.948 111.3 46.1 -61.4 -48.6 21.3 20.2 4.1 22 22 A F H X>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.7 0.909 112.7 50.0 -59.3 -42.8 22.0 17.8 1.3 23 23 A A H ><5S+ 0 0 25 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.923 110.5 50.1 -61.1 -48.7 21.2 20.4 -1.3 24 24 A Y H 3<5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.926 115.1 43.5 -53.6 -44.6 23.5 23.0 0.3 25 25 A A H 3<5S- 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.539 107.1-124.0 -79.2 -9.3 26.3 20.5 0.5 26 26 A G T <<5 + 0 0 68 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.780 55.8 158.6 67.6 26.4 25.8 19.2 -3.0 27 27 A Q < - 0 0 62 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.1 -0.729 39.6-130.1 -94.6 126.2 25.5 15.7 -1.6 28 28 A Q + 0 0 174 -2,-0.5 -24,-0.3 -3,-0.1 2,-0.3 -0.436 39.3 156.8 -68.2 142.0 23.8 13.0 -3.6 29 29 A Y - 0 0 43 -2,-0.1 2,-0.7 -26,-0.1 -24,-0.2 -0.980 47.0-102.7-156.0 159.5 21.1 11.0 -1.7 30 30 A E E -b 5 0A 102 -26,-2.6 -24,-3.1 -2,-0.3 2,-1.2 -0.839 27.5-152.4 -90.3 118.4 18.1 9.0 -2.4 31 31 A D E -b 6 0A 46 -2,-0.7 2,-0.8 -26,-0.2 -24,-0.1 -0.770 17.8-170.0 -90.6 87.9 14.9 11.0 -1.7 32 32 A N E -b 7 0A 33 -26,-2.6 -24,-2.3 -2,-1.2 2,-0.5 -0.772 2.0-170.5 -91.5 106.4 12.6 8.2 -0.8 33 33 A R E -b 8 0A 40 -2,-0.8 2,-0.4 -26,-0.2 -24,-0.3 -0.810 12.5-140.7-104.4 125.4 9.1 9.5 -0.5 34 34 A V E -b 9 0A 4 -26,-2.9 -24,-0.9 -2,-0.5 2,-0.3 -0.690 6.0-144.0-103.0 140.2 6.4 7.2 0.8 35 35 A T >> - 0 0 59 -2,-0.4 4,-1.9 -26,-0.2 3,-1.0 -0.626 29.6-111.8 -88.4 145.4 2.9 6.9 -0.4 36 36 A Q T 34 S+ 0 0 151 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.858 119.6 57.1 -33.6 -42.8 -0.1 6.2 1.8 37 37 A E T 34 S+ 0 0 142 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.791 111.0 40.4 -73.2 -29.7 -0.2 2.8 0.1 38 38 A Q T <> S+ 0 0 101 -3,-1.0 4,-2.2 2,-0.1 -1,-0.2 0.790 101.6 75.8 -80.5 -33.3 3.4 1.8 1.1 39 39 A W H >X S+ 0 0 40 -4,-1.9 4,-4.1 2,-0.3 3,-0.7 0.922 91.5 44.8 -59.8 -73.5 3.3 3.2 4.6 40 40 A P H 3> S+ 0 0 87 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.858 118.0 52.6 -31.2 -44.3 1.1 0.7 6.7 41 41 A A H 3> S+ 0 0 54 -4,-0.3 4,-0.8 2,-0.2 -2,-0.3 0.931 111.4 40.2 -59.6 -48.5 3.2 -1.8 4.9 42 42 A L H <<>S+ 0 0 33 -4,-2.2 5,-1.6 -3,-0.7 6,-0.3 0.842 115.9 54.0 -68.7 -36.9 6.6 -0.3 5.8 43 43 A K H ><5S+ 0 0 101 -4,-4.1 3,-1.8 1,-0.2 -2,-0.2 0.947 105.3 51.2 -62.8 -47.5 5.3 0.4 9.3 44 44 A E H 3<5S+ 0 0 167 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.771 103.4 65.2 -54.9 -29.3 4.3 -3.3 9.8 45 45 A T T 3<5S- 0 0 89 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.560 104.0-128.5 -71.0 -10.9 7.8 -4.0 8.7 46 46 A C T < 5 + 0 0 109 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.863 63.4 142.4 44.3 42.0 9.5 -2.4 11.7 47 47 A A < + 0 0 18 -5,-1.6 -4,-0.1 -4,-0.1 15,-0.1 0.992 53.0 66.0 -64.1 -56.1 11.5 -0.6 9.1 48 48 A A S > S- 0 0 5 -6,-0.3 3,-1.9 1,-0.1 5,-0.1 -0.368 85.3-132.8 -74.2 130.6 11.5 2.7 11.2 49 49 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 299,-0.1 0.835 108.4 21.4 -45.9 -42.2 13.4 2.5 14.5 50 50 A F T 3 S- 0 0 8 2,-0.4 3,-0.1 295,-0.0 -2,-0.1 0.052 116.5-101.9-116.6 24.6 10.5 4.1 16.3 51 51 A G S < S+ 0 0 17 -3,-1.9 2,-0.3 1,-0.2 -4,-0.1 0.658 92.3 91.8 73.4 11.4 7.7 3.3 13.8 52 52 A Q - 0 0 100 2,-0.1 -2,-0.4 -5,-0.0 -1,-0.2 -0.917 68.7 -79.5-137.9 163.3 7.7 6.8 12.4 53 53 A L S S+ 0 0 23 -2,-0.3 -45,-0.1 -3,-0.1 2,-0.1 -0.789 82.5 56.1-108.3 155.7 9.2 9.0 9.6 54 54 A P + 0 0 8 0, 0.0 11,-1.0 0, 0.0 2,-0.3 0.493 60.5 155.5 -79.7 162.2 11.6 10.5 8.9 55 55 A F E -AC 7 64A 2 -48,-1.7 -48,-2.8 9,-0.2 2,-0.4 -0.972 26.9-146.2-141.7 152.1 14.5 8.1 9.1 56 56 A L E -AC 6 63A 0 7,-2.9 7,-2.4 -2,-0.3 2,-0.5 -0.934 4.1-150.0-114.6 137.1 17.8 8.2 7.3 57 57 A E E -AC 5 62A 36 -52,-3.0 -52,-1.9 -2,-0.4 2,-0.5 -0.946 8.3-170.4-106.0 131.6 19.9 5.2 6.1 58 58 A V E > S-AC 4 61A 15 3,-2.4 3,-2.5 -2,-0.5 -54,-0.2 -0.981 83.4 -24.9-124.5 108.2 23.7 5.6 6.0 59 59 A D T 3 S- 0 0 75 -56,-2.5 -1,-0.2 -2,-0.5 -55,-0.1 0.905 129.3 -50.4 43.8 50.8 25.1 2.6 4.2 60 60 A G T 3 S+ 0 0 50 -57,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.222 111.5 123.4 80.6 -15.8 22.0 0.7 5.3 61 61 A K E < -C 58 0A 122 -3,-2.5 -3,-2.4 1,-0.1 2,-0.3 -0.658 58.6-127.2 -84.4 133.9 22.2 1.7 9.0 62 62 A K E -C 57 0A 74 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.593 25.8-179.5 -92.0 142.2 19.0 3.5 10.3 63 63 A L E -C 56 0A 0 -7,-2.4 -7,-2.9 -2,-0.3 2,-0.2 -0.962 11.2-169.8-138.0 120.0 18.8 6.8 12.1 64 64 A A E +C 55 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.495 41.7 69.9 -99.0 174.4 15.4 8.2 13.3 65 65 A Q > - 0 0 19 -11,-1.0 4,-2.6 -2,-0.2 3,-0.3 0.784 68.5-121.8 80.5 111.8 14.2 11.5 14.7 66 66 A S H > S+ 0 0 28 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.798 111.3 43.4 -48.2 -44.7 14.1 14.6 12.5 67 67 A H H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.837 112.3 53.3 -72.7 -36.7 16.4 16.7 14.7 68 68 A A H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.903 112.4 45.6 -65.8 -40.8 18.9 13.8 15.2 69 69 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.935 113.3 47.7 -61.0 -51.7 19.1 13.4 11.5 70 70 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.912 114.4 48.1 -60.7 -40.3 19.5 17.1 10.7 71 71 A R H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.925 111.5 49.2 -67.6 -41.1 22.2 17.4 13.5 72 72 A F H X S+ 0 0 16 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.967 117.0 41.4 -63.4 -47.4 24.1 14.4 12.3 73 73 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.911 112.7 53.6 -68.5 -42.9 24.1 15.6 8.7 74 74 A A H <>S+ 0 0 0 -4,-3.2 5,-3.3 -5,-0.3 6,-0.6 0.894 108.3 50.7 -59.5 -40.7 24.8 19.2 9.6 75 75 A R H ><5S+ 0 0 64 -4,-2.4 3,-0.9 4,-0.2 -1,-0.2 0.885 107.9 51.9 -65.7 -35.7 27.9 18.2 11.6 76 76 A E H 3<5S+ 0 0 96 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.833 119.2 37.6 -67.4 -33.4 29.2 16.1 8.7 77 77 A F T 3<5S- 0 0 48 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.250 114.0-112.2-102.3 12.3 28.8 19.2 6.5 78 78 A K T < 5S+ 0 0 150 -3,-0.9 -3,-0.2 -4,-0.2 3,-0.1 0.851 83.4 119.4 56.7 41.7 29.9 21.9 9.0 79 79 A L < + 0 0 6 -5,-3.3 78,-2.7 -6,-0.1 79,-0.3 0.145 52.2 78.7-117.8 16.9 26.3 23.4 9.2 80 80 A N S S- 0 0 2 -6,-0.6 10,-0.2 1,-0.4 11,-0.2 0.401 113.6 -58.1-103.8 3.4 25.8 22.8 12.9 81 81 A G - 0 0 4 74,-0.3 -1,-0.4 -7,-0.2 71,-0.1 -0.320 41.2-113.9 121.6 144.2 27.8 25.7 14.3 82 82 A K S S+ 0 0 95 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.515 98.7 28.5 -89.0 -11.0 31.5 26.7 13.9 83 83 A T S > S- 0 0 71 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.929 90.7-102.7-142.7 161.7 32.4 26.1 17.6 84 84 A A H > S+ 0 0 38 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.856 123.1 52.7 -55.2 -35.2 31.1 23.8 20.3 85 85 A W H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.892 108.0 49.0 -71.4 -40.8 29.3 26.8 21.8 86 86 A E H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.922 109.0 54.2 -62.1 -40.3 27.5 27.7 18.5 87 87 A E H X S+ 0 0 31 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.887 109.7 47.9 -61.4 -40.3 26.5 24.0 18.1 88 88 A A H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.878 111.8 49.1 -64.9 -44.5 24.9 24.1 21.5 89 89 A Q H X S+ 0 0 28 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.904 109.7 50.5 -64.7 -44.6 23.1 27.4 20.7 90 90 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 -10,-0.2 -2,-0.2 0.939 112.8 49.0 -51.9 -47.0 21.8 25.9 17.4 91 91 A N H X S+ 0 0 2 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.893 109.1 52.2 -59.1 -42.8 20.6 23.0 19.6 92 92 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.947 113.5 42.3 -64.2 -47.4 19.0 25.3 22.1 93 93 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.871 112.2 53.8 -67.4 -36.0 17.0 27.2 19.4 94 94 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.891 109.9 48.7 -68.6 -37.3 16.1 24.1 17.5 95 95 A D H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.862 109.2 51.0 -70.2 -35.5 14.7 22.6 20.8 96 96 A Q H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.849 107.0 56.3 -66.5 -35.4 12.7 25.8 21.4 97 97 A Y H X S+ 0 0 41 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.890 104.3 52.2 -59.8 -41.7 11.4 25.4 17.9 98 98 A K H X S+ 0 0 30 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.893 108.4 51.0 -57.1 -44.5 10.2 21.9 18.8 99 99 A D H X S+ 0 0 48 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.911 111.5 47.6 -60.5 -43.6 8.3 23.4 21.8 100 100 A Y H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.939 110.8 51.3 -59.8 -48.8 6.7 26.0 19.5 101 101 A S H X S+ 0 0 25 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.861 109.9 50.7 -61.3 -34.1 5.8 23.3 17.1 102 102 A S H < S+ 0 0 48 -4,-1.9 3,-0.3 2,-0.2 -1,-0.2 0.891 111.1 47.5 -68.6 -39.3 4.2 21.3 20.0 103 103 A E H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 4,-0.2 0.863 116.9 42.9 -68.9 -39.4 2.2 24.3 21.1 104 104 A A H >X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-1.0 0.570 85.5 99.8 -80.1 -10.6 1.0 25.0 17.6 105 105 A R H 3X S+ 0 0 110 -4,-0.8 4,-2.9 -3,-0.3 5,-0.2 0.776 73.2 58.8 -51.6 -43.8 0.3 21.4 16.7 106 106 A P H 3> S+ 0 0 62 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.899 112.6 42.6 -53.5 -41.5 -3.6 21.5 17.2 107 107 A Y H <> S+ 0 0 35 -3,-1.0 4,-2.2 -4,-0.2 5,-0.2 0.936 114.3 48.7 -67.6 -49.3 -3.8 24.3 14.6 108 108 A F H X S+ 0 0 47 -4,-2.0 4,-2.4 1,-0.2 6,-0.2 0.927 112.4 49.9 -60.7 -44.4 -1.4 22.7 12.1 109 109 A Y H X>S+ 0 0 99 -4,-2.9 5,-2.5 1,-0.2 6,-1.8 0.822 109.3 51.2 -61.5 -35.8 -3.2 19.4 12.4 110 110 A A H ><5S+ 0 0 13 -4,-1.2 3,-0.7 -5,-0.2 -1,-0.2 0.907 110.8 47.5 -70.2 -43.1 -6.6 21.0 11.8 111 111 A V H 3<5S+ 0 0 63 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 112.7 49.4 -62.9 -41.3 -5.4 22.8 8.7 112 112 A M H 3<5S- 0 0 57 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.617 117.3-114.9 -73.0 -11.1 -3.8 19.6 7.4 113 113 A G T <<5S+ 0 0 63 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.523 88.1 108.9 86.5 11.7 -7.1 17.7 8.1 114 114 A F S - 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0 0 4 74,-0.2 -1,-0.4 -7,-0.2 6,-0.1 -0.380 40.0-108.7 126.6 150.6 28.9 8.9 22.2 290 82 B K S S+ 0 0 120 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.660 98.2 28.3 -90.9 -18.6 32.2 7.5 20.9 291 83 B T S > S- 0 0 70 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.849 88.5-103.8-127.7 167.4 31.7 8.1 17.2 292 84 B A H > S+ 0 0 38 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.902 124.3 52.4 -54.1 -44.0 29.6 10.6 15.2 293 85 B W H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 108.3 48.0 -62.9 -44.5 27.2 7.8 14.6 294 86 B E H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 108.9 55.1 -61.7 -39.0 26.9 7.0 18.3 295 87 B E H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.883 109.2 48.1 -58.8 -38.8 26.3 10.7 19.0 296 88 B A H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.878 110.5 49.6 -73.5 -37.4 23.5 10.7 16.6 297 89 B Q H X S+ 0 0 27 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.876 108.9 53.3 -68.1 -37.5 21.9 7.5 18.0 298 90 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 -10,-0.3 -1,-0.2 0.932 110.9 47.1 -57.9 -46.3 22.1 9.0 21.5 299 91 B N H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.897 109.8 54.0 -62.1 -39.3 20.3 12.1 20.1 300 92 B S H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.929 111.8 43.3 -60.4 -46.4 17.7 9.9 18.4 301 93 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 112.1 53.1 -71.3 -35.6 16.8 8.1 21.6 302 94 B A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.861 110.2 48.3 -68.8 -37.2 16.8 11.3 23.7 303 95 B D H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.847 109.9 51.0 -70.3 -35.0 14.4 12.9 21.2 304 96 B Q H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.886 106.4 56.4 -67.6 -35.0 12.2 9.8 21.3 305 97 B Y H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.895 104.8 53.2 -61.2 -41.1 12.4 10.1 25.2 306 98 B K H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.885 107.0 50.3 -56.3 -43.0 11.0 13.7 24.7 307 99 B D H X S+ 0 0 47 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.898 109.9 51.2 -66.7 -38.5 8.1 12.3 22.7 308 100 B Y H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.943 109.4 50.6 -57.8 -51.3 7.4 9.7 25.5 309 101 B S H X S+ 0 0 34 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.892 110.2 49.2 -57.8 -40.3 7.4 12.5 28.1 310 102 B S H < S+ 0 0 50 -4,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.914 112.3 48.5 -61.9 -45.7 4.9 14.5 26.0 311 103 B E H < S+ 0 0 77 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.895 118.0 40.2 -61.5 -40.8 2.6 11.5 25.6 312 104 B A H >X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.9 0.584 85.9 99.1 -83.8 -11.9 2.7 10.7 29.3 313 105 B R H 3X S+ 0 0 107 -4,-1.1 4,-2.8 -3,-0.3 5,-0.2 0.814 75.0 59.5 -53.8 -40.4 2.5 14.3 30.6 314 106 B P H 3> S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.912 111.6 43.4 -56.6 -40.0 -1.3 14.3 31.4 315 107 B Y H <> S+ 0 0 33 -3,-0.9 4,-2.8 -4,-0.2 5,-0.2 0.951 113.6 47.6 -66.0 -52.3 -0.6 11.3 33.8 316 108 B F H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 6,-0.2 0.899 111.7 53.7 -61.9 -32.9 2.5 12.7 35.4 317 109 B Y H X S+ 0 0 106 -4,-2.8 6,-1.4 -5,-0.2 4,-1.4 0.901 111.4 43.2 -66.2 -40.9 0.6 16.1 35.9 318 110 B A H < S+ 0 0 14 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.923 115.2 50.1 -69.6 -45.1 -2.3 14.5 37.7 319 111 B V H < S+ 0 0 71 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.909 116.3 40.9 -56.5 -47.9 -0.0 12.3 39.8 320 112 B M H < S- 0 0 68 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.713 116.5-111.5 -73.2 -26.8 2.2 15.2 40.9 321 113 B G S < S+ 0 0 55 -4,-1.4 -3,-0.1 -5,-0.2 -4,-0.1 -0.104 87.3 107.3 121.9 -33.3 -0.7 17.6 41.4 322 114 B F S S+ 0 0 128 -6,-0.2 -4,-0.2 -5,-0.1 -5,-0.1 0.491 79.1 29.5 -66.1 -10.0 -0.3 20.2 38.6 323 115 B G S S- 0 0 24 -6,-1.4 2,-0.2 -8,-0.1 -2,-0.1 -0.851 79.4 -89.9-145.1 176.1 -3.2 19.1 36.3 324 116 B P + 0 0 122 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.466 59.7 75.6 -90.7 160.6 -6.7 17.5 36.1 325 117 B G S S- 0 0 52 -2,-0.2 2,-0.5 -7,-0.1 -2,-0.1 -0.233 76.1 -71.2 126.0 154.4 -8.0 14.0 35.7 326 118 B D > - 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