==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 14-SEP-09 3JTS . COMPND 2 MOLECULE: MHC CLASS I MAMU-A*02; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR L.DAI,Y.FENG,J.QI,G.F.GAO . 1152 9 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 407 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.6 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 . 3 0.3 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 . 97 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 6 0 0 0 0 4 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 7 20 6 6 2 8 2 4 12 2 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 1 5 6 0 0 3 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 G 0 0 83 0, 0.0 2,-0.3 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 124.9 3.3 5.5 55.4 2 2 A S - 0 0 86 100,-0.0 2,-0.3 1,-0.0 102,-0.1 -0.489 360.0-177.5 -70.4 129.8 1.3 5.9 52.2 3 3 A H E +A 103 0A 29 100,-0.8 100,-1.2 -2,-0.3 2,-0.3 -0.783 9.8 170.4-123.7 169.7 0.4 2.6 50.6 4 4 A S E -A 102 0A 22 -2,-0.3 25,-2.4 98,-0.2 2,-0.4 -0.968 22.4-144.7-170.2 156.3 -1.4 1.3 47.5 5 5 A M E +AB 101 28A 0 96,-1.6 96,-1.7 -2,-0.3 2,-0.3 -1.000 27.1 172.8-129.1 130.8 -2.2 -1.7 45.3 6 6 A R E -AB 100 27A 36 21,-2.7 21,-3.0 -2,-0.4 2,-0.4 -0.951 20.7-148.4-135.7 157.2 -2.4 -1.4 41.6 7 7 A Y E -AB 99 26A 1 92,-2.4 92,-1.0 -2,-0.3 2,-0.5 -0.961 6.2-156.5-122.4 145.2 -2.8 -3.7 38.5 8 8 A F E -AB 98 25A 24 17,-2.1 17,-1.5 -2,-0.4 2,-0.5 -0.950 9.8-170.3-124.5 109.9 -1.4 -3.1 35.1 9 9 A Y E -AB 97 24A 3 88,-3.2 88,-2.1 -2,-0.5 2,-0.5 -0.880 1.5-172.9-102.3 123.7 -3.2 -4.8 32.2 10 10 A T E -AB 96 23A 4 13,-3.2 13,-1.3 -2,-0.5 2,-0.5 -0.902 1.3-172.8-121.5 104.6 -1.5 -4.8 28.8 11 11 A S E -AB 95 22A 8 84,-3.5 84,-3.6 -2,-0.5 2,-0.5 -0.830 7.5-175.5 -94.3 128.2 -3.5 -6.1 25.8 12 12 A M E -AB 94 21A 14 9,-1.6 9,-2.9 -2,-0.5 82,-0.2 -0.932 16.3-144.5-133.6 109.0 -1.5 -6.4 22.6 13 13 A S - 0 0 22 80,-2.1 6,-0.1 -2,-0.5 79,-0.0 -0.372 14.2-164.0 -66.5 148.9 -2.9 -7.4 19.2 14 14 A R > - 0 0 31 3,-0.2 3,-1.0 78,-0.1 77,-0.1 -0.846 7.5-148.1-143.4 98.9 -0.6 -9.5 17.0 15 15 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 77,-0.1 -0.353 85.0 20.5 -66.9 146.8 -1.3 -9.9 13.3 16 16 A G T 3 S+ 0 0 96 1,-0.2 2,-0.4 2,-0.1 3,-0.1 0.712 106.9 106.9 67.9 20.7 -0.3 -13.1 11.6 17 17 A R S < S- 0 0 134 -3,-1.0 -3,-0.2 1,-0.2 -1,-0.2 -0.996 78.6-124.7-137.4 124.8 -0.2 -14.6 15.1 18 18 A W S S+ 0 0 262 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.832 89.7 11.6 -29.5 -68.0 -2.7 -17.1 16.5 19 19 A E S S- 0 0 106 1,-0.1 2,-0.0 -3,-0.1 0, 0.0 -0.707 75.8-113.8-117.5 158.9 -3.6 -15.0 19.5 20 20 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.114 41.3-105.6 -72.0-174.6 -3.0 -11.5 20.9 21 21 A R E -B 12 0A 61 -9,-2.9 -9,-1.6 53,-0.1 2,-0.4 -0.922 31.4-173.3-129.6 107.8 -0.9 -11.1 23.9 22 22 A F E +B 11 0A 1 -2,-0.5 16,-2.3 -11,-0.2 2,-0.3 -0.796 6.9 177.4 -96.4 138.9 -2.3 -10.2 27.3 23 23 A I E -BC 10 37A 11 -13,-1.3 -13,-3.2 -2,-0.4 2,-0.4 -0.985 3.4-176.6-142.4 132.5 -0.1 -9.4 30.3 24 24 A A E -BC 9 36A 2 12,-2.1 12,-2.2 -2,-0.3 2,-0.4 -0.988 3.3-175.8-132.3 138.8 -1.0 -8.4 33.8 25 25 A V E -BC 8 35A 1 -17,-1.5 -17,-2.1 -2,-0.4 2,-0.4 -0.996 11.8-151.1-134.6 132.2 1.1 -7.4 36.9 26 26 A G E -BC 7 34A 0 8,-1.4 7,-2.5 -2,-0.4 8,-1.0 -0.843 14.5-169.7-102.7 137.6 -0.1 -6.7 40.4 27 27 A Y E -BC 6 32A 29 -21,-3.0 -21,-2.7 -2,-0.4 2,-0.7 -0.986 21.8-162.4-129.7 129.9 1.8 -4.3 42.7 28 28 A V E > S-BC 5 31A 0 3,-2.8 3,-1.9 -2,-0.4 -23,-0.3 -0.952 81.0 -52.1-102.5 108.6 1.6 -3.4 46.3 29 29 A D T 3 S- 0 0 27 -25,-2.4 -23,-0.1 -2,-0.7 -26,-0.1 -0.413 124.6 -17.9 54.2-128.0 3.5 -0.2 46.3 30 30 A D T 3 S+ 0 0 63 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.131 119.5 98.8 -93.2 21.0 6.8 -0.8 44.6 31 31 A T E < -C 28 0A 29 -3,-1.9 -3,-2.8 148,-0.0 2,-0.2 -0.932 63.0-147.4-114.6 116.1 6.5 -4.6 45.1 32 32 A Q E +C 27 0A 30 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.574 26.4 163.1 -70.8 138.6 5.2 -6.9 42.3 33 33 A F E + 0 0 0 -7,-2.5 15,-3.8 1,-0.3 16,-0.8 0.581 56.7 38.3-130.9 -27.2 3.3 -9.9 43.8 34 34 A V E -CD 26 47A 1 -8,-1.0 -8,-1.4 13,-0.3 -1,-0.3 -0.901 57.2-176.7-126.9 162.4 1.3 -11.4 40.9 35 35 A R E -CD 25 46A 35 11,-1.2 11,-2.4 -2,-0.3 2,-0.4 -0.983 6.7-174.8-156.4 136.3 2.0 -12.0 37.3 36 36 A F E -C 24 0A 1 -12,-2.2 -12,-2.1 -2,-0.3 2,-0.5 -0.979 1.9-177.6-137.6 129.5 0.0 -13.4 34.3 37 37 A D E > -C 23 0A 28 7,-0.4 3,-0.8 -2,-0.4 6,-0.4 -0.921 19.7-153.8-129.5 106.8 1.4 -14.1 30.8 38 38 A S T 3 S+ 0 0 6 -16,-2.3 -1,-0.1 -2,-0.5 -15,-0.1 0.758 101.6 46.5 -48.3 -27.8 -0.9 -15.3 28.1 39 39 A D T 3 S+ 0 0 65 -17,-0.3 -1,-0.3 -3,-0.1 -16,-0.1 0.838 91.3 101.1 -82.9 -36.0 2.1 -16.9 26.4 40 40 A A S < S- 0 0 25 -3,-0.8 3,-0.2 1,-0.1 -4,-0.0 0.092 80.1-119.7 -50.8 162.6 3.6 -18.4 29.5 41 41 A A S S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.774 103.5 69.3 -77.1 -25.5 3.2 -22.2 30.2 42 42 A S S S- 0 0 47 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.860 71.8-164.0 -63.0 -41.0 1.4 -21.7 33.5 43 43 A Q + 0 0 92 -6,-0.4 2,-0.3 1,-0.2 25,-0.1 0.740 62.0 90.2 57.4 21.3 -1.8 -20.2 32.1 44 44 A R S S- 0 0 89 -7,-0.1 -7,-0.4 -9,-0.1 2,-0.3 -0.896 91.2 -87.5-136.4 167.4 -2.5 -19.1 35.6 45 45 A M - 0 0 7 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.623 51.0-154.6 -70.8 135.1 -1.9 -16.2 38.0 46 46 A E E -D 35 0A 40 -11,-2.4 -11,-1.2 -2,-0.3 2,-0.2 -0.902 16.5-109.2-120.3 145.1 1.5 -16.7 39.6 47 47 A P E +D 34 0A 52 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.474 27.8 177.0 -65.0 137.3 3.1 -15.5 42.9 48 48 A R S S+ 0 0 98 -15,-3.8 -14,-0.2 1,-0.2 -16,-0.1 0.248 72.0 43.5-122.2 1.2 5.8 -12.9 42.5 49 49 A A S >> S- 0 0 6 -16,-0.8 3,-1.3 1,-0.1 4,-0.7 -0.990 78.9-127.3-145.6 147.1 6.3 -12.5 46.2 50 50 A P H >> S+ 0 0 95 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.881 105.0 64.4 -60.0 -41.6 6.5 -15.0 49.1 51 51 A W H 34 S+ 0 0 21 1,-0.3 125,-0.1 2,-0.2 123,-0.1 0.465 102.9 50.9 -67.4 1.5 3.8 -13.4 51.2 52 52 A V H X4 S+ 0 0 0 -3,-1.3 3,-1.9 2,-0.1 -1,-0.3 0.644 89.6 74.0-105.9 -25.2 1.2 -14.2 48.5 53 53 A E H << S+ 0 0 112 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.686 85.1 71.7 -65.8 -15.8 2.0 -17.9 48.1 54 54 A Q T 3< S+ 0 0 153 -4,-0.5 -1,-0.3 2,-0.0 -2,-0.1 0.716 73.8 108.1 -69.3 -26.6 0.2 -18.3 51.4 55 55 A E S < S- 0 0 19 -3,-1.9 5,-0.1 1,-0.1 -3,-0.1 -0.189 77.1-103.7 -55.8 147.0 -3.1 -17.6 49.8 56 56 A G >> - 0 0 34 1,-0.1 3,-2.3 3,-0.1 4,-1.2 -0.250 26.4-105.7 -75.1 160.5 -5.5 -20.6 49.4 57 57 A P H 3> S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.784 120.9 62.7 -54.1 -30.2 -6.2 -22.5 46.2 58 58 A E H 3> S+ 0 0 136 1,-0.2 4,-1.1 2,-0.2 -3,-0.0 0.755 100.4 55.3 -69.5 -21.7 -9.6 -20.8 46.0 59 59 A Y H <> S+ 0 0 14 -3,-2.3 4,-1.3 2,-0.2 3,-0.3 0.955 109.9 41.6 -70.9 -53.0 -7.6 -17.6 45.7 60 60 A W H X S+ 0 0 24 -4,-1.2 4,-2.5 1,-0.2 -15,-0.4 0.760 111.0 57.6 -70.8 -25.6 -5.6 -18.6 42.7 61 61 A D H X S+ 0 0 57 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.890 108.9 47.2 -65.9 -37.4 -8.6 -20.2 41.1 62 62 A R H X S+ 0 0 89 -4,-1.1 4,-1.2 -3,-0.3 -2,-0.2 0.696 114.9 44.6 -80.1 -23.6 -10.4 -16.8 41.4 63 63 A E H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.875 109.4 54.2 -86.0 -44.7 -7.5 -14.9 39.9 64 64 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.849 109.5 51.4 -58.5 -31.0 -6.8 -17.3 37.1 65 65 A R H X S+ 0 0 129 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.951 105.4 52.3 -70.1 -49.5 -10.5 -16.9 36.2 66 66 A N H X S+ 0 0 17 -4,-1.2 4,-1.1 2,-0.2 316,-0.2 0.779 114.9 45.8 -54.6 -27.9 -10.3 -13.1 36.1 67 67 A M H >X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 3,-0.6 0.955 107.5 52.2 -79.7 -58.1 -7.4 -13.5 33.8 68 68 A K H 3X S+ 0 0 102 -4,-2.7 4,-2.1 1,-0.3 5,-0.2 0.878 107.2 58.8 -42.3 -41.5 -8.8 -16.1 31.4 69 69 A A H 3X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.930 106.5 44.6 -54.6 -52.1 -11.7 -13.7 31.1 70 70 A E H S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.907 117.4 45.9 -51.0 -48.6 -9.4 -10.2 20.7 76 76 A V H X S+ 0 0 45 -4,-0.7 4,-1.0 2,-0.2 -2,-0.2 0.858 112.3 52.3 -65.0 -35.4 -12.9 -8.8 20.8 77 77 A N H >X S+ 0 0 5 -4,-2.2 4,-1.8 -3,-0.2 3,-0.8 0.970 113.3 40.9 -66.6 -54.6 -11.7 -5.6 22.6 78 78 A L H 3X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.938 113.0 56.6 -54.7 -47.4 -9.0 -4.8 20.2 79 79 A R H 3< S+ 0 0 129 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.746 106.3 52.9 -57.0 -25.1 -11.3 -5.8 17.4 80 80 A N H XX S+ 0 0 33 -4,-1.0 4,-1.2 -3,-0.8 3,-0.7 0.926 111.9 39.3 -79.3 -48.8 -13.8 -3.2 18.7 81 81 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.826 107.6 64.3 -69.7 -32.7 -11.5 -0.1 18.9 82 82 A R H 3<>S+ 0 0 73 -4,-2.6 5,-3.0 -5,-0.3 -1,-0.2 0.735 108.0 45.1 -61.7 -19.8 -9.9 -1.1 15.6 83 83 A G H X45S+ 0 0 44 -3,-0.7 3,-0.8 -5,-0.2 -1,-0.2 0.767 103.9 58.9 -92.5 -32.8 -13.4 -0.5 14.3 84 84 A Y H 3<5S+ 0 0 63 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.715 116.6 37.0 -67.9 -19.9 -14.1 2.8 16.1 85 85 A Y T 3<5S- 0 0 71 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.255 108.5-119.1-115.6 7.8 -11.0 4.2 14.3 86 86 A N T < 5 + 0 0 156 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.924 56.3 165.4 52.2 49.4 -11.4 2.4 10.9 87 87 A Q < - 0 0 47 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.803 31.9-127.7-105.8 141.5 -8.1 0.7 11.3 88 88 A S - 0 0 70 -2,-0.4 3,-0.3 1,-0.1 -1,-0.1 -0.157 17.9-120.3 -75.9 173.6 -6.8 -2.3 9.3 89 89 A E S S+ 0 0 114 1,-0.2 -1,-0.1 -75,-0.0 -2,-0.0 0.691 95.6 85.6 -88.9 -23.2 -5.4 -5.6 10.7 90 90 A A S S+ 0 0 91 -75,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.802 87.6 60.2 -50.5 -33.9 -2.0 -5.2 9.1 91 91 A G S S- 0 0 32 -3,-0.3 2,-0.2 -77,-0.1 -77,-0.1 -0.812 81.4-129.9-106.2 139.1 -0.9 -3.2 12.1 92 92 A S - 0 0 58 -2,-0.4 2,-0.3 -77,-0.1 -78,-0.1 -0.506 23.1-163.1 -82.4 150.9 -0.8 -4.2 15.8 93 93 A H - 0 0 34 -2,-0.2 -80,-2.1 2,-0.0 2,-0.4 -0.895 8.5-134.7-134.4 162.8 -2.3 -2.1 18.5 94 94 A T E -A 12 0A 4 -2,-0.3 25,-2.5 -82,-0.2 2,-0.5 -0.960 8.0-166.0-127.8 133.2 -2.0 -1.8 22.3 95 95 A I E -AE 11 118A 9 -84,-3.6 -84,-3.5 -2,-0.4 2,-0.3 -0.957 13.2-170.3-118.4 113.9 -4.6 -1.5 25.1 96 96 A Q 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106 106 A D S S- 0 0 94 1,-0.1 2,-2.1 2,-0.1 -2,-0.1 -0.589 121.8 -92.0 -70.8 147.3 -7.7 7.1 58.4 107 107 A G S S+ 0 0 50 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 -0.434 95.2 96.9 -66.5 87.3 -8.4 3.5 57.3 108 108 A R S S- 0 0 176 -2,-2.1 -4,-3.3 -4,-0.4 2,-0.4 -0.987 82.9 -65.7-173.1 159.7 -10.2 4.6 54.1 109 109 A L E +E 103 0A 44 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.396 34.9 178.8 -65.4 114.7 -9.9 5.3 50.4 110 110 A L E S- 0 0 101 -8,-3.3 2,-0.3 -2,-0.4 -1,-0.2 0.942 71.3 -20.9 -79.3 -54.1 -7.5 8.2 49.6 111 111 A R E -E 102 0A 89 -9,-0.8 -9,-2.4 49,-0.1 -1,-0.3 -0.970 59.0-150.6-154.7 149.8 -8.0 7.9 45.8 112 112 A G E -E 101 0A 4 -2,-0.3 2,-0.3 16,-0.2 -11,-0.2 -0.808 9.8-156.1-115.1 157.2 -9.0 5.3 43.3 113 113 A Y E +E 100 0A 42 -13,-2.2 -13,-1.2 -2,-0.3 14,-0.1 -0.948 24.1 159.5-130.9 150.0 -8.1 4.7 39.6 114 114 A H E +E 99 0A 1 -2,-0.3 12,-0.8 12,-0.3 2,-0.3 -0.260 29.7 148.1-164.6 73.1 -9.6 3.0 36.6 115 115 A Q E -EF 98 125A 46 -17,-2.1 -17,-2.6 10,-0.3 2,-0.3 -0.784 26.7-160.8-116.5 150.3 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1,-0.0 4,-0.1 -0.531 112.0 -96.0 -95.6 172.8 -38.1 -3.2 13.9 494 107 D G S S+ 0 0 50 -2,-0.2 -3,-0.1 -4,-0.1 3,-0.1 0.815 98.4 94.1 -56.8 -27.3 -36.3 -0.9 16.3 495 108 D R S S- 0 0 185 1,-0.1 -4,-2.2 -5,-0.1 2,-0.5 0.094 90.8 -84.4 -70.9 173.1 -35.6 1.5 13.4 496 109 D L E -B 490 0I 34 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.660 34.5-170.0 -77.8 123.8 -37.4 4.5 12.0 497 110 D L E - 0 0 99 -8,-2.6 2,-0.3 -2,-0.5 -7,-0.2 0.703 67.9 -2.5 -88.5 -20.8 -40.2 3.5 9.7 498 111 D R E -B 489 0I 52 -9,-1.1 -9,-3.1 49,-0.1 2,-0.4 -0.869 58.5-154.8-173.9 134.4 -41.1 6.9 8.3 499 112 D G E -B 488 0I 1 -2,-0.3 2,-0.3 16,-0.2 -11,-0.2 -0.884 10.2-162.2-117.5 146.7 -40.0 10.5 8.7 500 113 D Y E +B 487 0I 45 -13,-2.2 -13,-1.3 -2,-0.4 2,-0.2 -0.947 22.5 154.0-127.0 149.5 -42.0 13.7 8.0 501 114 D H E +B 486 0I 4 -2,-0.3 12,-3.8 12,-0.3 2,-0.3 -0.678 29.5 139.9-168.8 116.1 -41.0 17.3 7.6 502 115 D Q E -BC 485 512I 39 -17,-1.6 -17,-2.5 10,-0.3 2,-0.3 -0.988 29.0-155.3-167.8 146.4 -43.5 19.3 5.5 503 116 D S E -BC 484 511I 2 8,-2.9 7,-1.8 -2,-0.3 8,-0.8 -0.825 1.3-157.5-130.7 166.0 -45.2 22.7 5.2 504 117 D A E -BC 483 509I 1 -21,-1.8 -21,-1.9 -2,-0.3 2,-0.5 -0.978 8.3-147.9-141.2 150.8 -48.2 24.3 3.8 505 118 D Y E > S-BC 482 508I 11 3,-2.6 3,-1.6 -2,-0.3 -23,-0.2 -0.975 81.5 -18.8-126.3 120.2 -49.1 27.9 2.8 506 119 D D T 3 S- 0 0 17 -25,-2.4 -1,-0.1 -2,-0.5 -24,-0.1 0.905 130.7 -48.8 48.7 45.4 -52.7 29.1 3.2 507 120 D G T 3 S+ 0 0 22 -26,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.233 117.6 100.6 90.2 -13.5 -53.9 25.5 3.3 508 121 D K E < S-C 505 0I 142 -3,-1.6 -3,-2.6 1,-0.1 -1,-0.2 -0.784 82.2 -90.1-106.3 150.6 -52.1 24.1 0.3 509 122 D D E +C 504 0I 109 -2,-0.3 -5,-0.3 -5,-0.2 -4,-0.2 -0.081 43.6 171.0 -47.4 155.6 -48.9 22.0 0.2 510 123 D Y E - 0 0 2 -7,-1.8 13,-2.9 1,-0.2 14,-0.5 0.479 59.7 -14.9-134.3 -60.9 -45.7 24.1 -0.0 511 124 D I E -CD 503 522I 2 -8,-0.8 -8,-2.9 11,-0.2 2,-0.4 -0.988 57.6-170.5-152.5 146.9 -42.7 21.8 0.5 512 125 D A E -CD 502 521I 27 9,-1.4 9,-1.2 -2,-0.3 -10,-0.3 -0.988 26.4-120.5-145.4 130.6 -42.1 18.3 1.8 513 126 D L E - D 0 520I 3 -12,-3.8 -12,-0.3 -2,-0.4 7,-0.2 -0.473 40.4-123.3 -63.7 134.2 -39.2 16.2 2.8 514 127 D N > - 0 0 43 5,-2.6 3,-2.1 -2,-0.2 -1,-0.1 -0.265 27.0 -97.1 -76.8 170.5 -39.2 13.1 0.7 515 128 D E T 3 S+ 0 0 145 1,-0.3 -16,-0.2 2,-0.1 -1,-0.1 0.748 122.8 60.3 -61.3 -24.9 -39.2 9.6 2.2 516 129 D D T 3 S- 0 0 78 3,-0.1 -1,-0.3 -18,-0.1 -3,-0.0 0.514 99.5-135.4 -84.7 -5.0 -35.4 9.3 1.8 517 130 D L S < S+ 0 0 5 -3,-2.1 27,-0.3 2,-0.2 26,-0.1 0.744 88.8 82.9 60.4 24.9 -34.9 12.3 4.0 518 131 D R S S+ 0 0 149 1,-0.2 2,-0.3 26,-0.1 -1,-0.1 0.541 84.3 44.1-132.0 -22.6 -32.4 13.6 1.5 519 132 D S - 0 0 45 21,-0.1 -5,-2.6 -5,-0.0 2,-0.3 -0.864 67.6-134.0-130.1 163.1 -34.4 15.4 -1.2 520 133 D W E -D 513 0I 15 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.734 0.5-150.2-117.0 162.2 -37.3 17.9 -1.3 521 134 D T E -D 512 0I 76 -9,-1.2 -9,-1.4 -2,-0.3 2,-0.4 -0.925 14.7-155.6-133.8 109.1 -40.5 18.2 -3.3 522 135 D A E -D 511 0I 26 -2,-0.4 -11,-0.2 -11,-0.2 6,-0.1 -0.690 13.6-144.7 -88.5 135.9 -41.9 21.8 -3.9 523 136 D A S S- 0 0 53 -13,-2.9 2,-0.2 -2,-0.4 -1,-0.1 0.773 77.5 -21.4 -66.7 -28.1 -45.6 22.3 -4.5 524 137 D D S > S- 0 0 59 -14,-0.5 4,-0.9 1,-0.0 -2,-0.0 -0.848 81.5 -70.2-160.0-162.7 -44.8 25.1 -7.0 525 138 D M H > S+ 0 0 143 -2,-0.2 4,-0.6 2,-0.2 -1,-0.0 0.815 121.7 55.9 -77.1 -31.9 -42.4 27.7 -8.3 526 139 D A H >> S+ 0 0 12 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.967 107.4 47.5 -61.8 -53.7 -42.7 29.9 -5.3 527 140 D A H >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-0.7 0.744 94.8 75.7 -63.3 -25.9 -41.7 27.2 -2.8 528 141 D Q H 3X S+ 0 0 27 -4,-0.9 4,-2.2 1,-0.3 5,-0.4 0.839 87.3 63.0 -54.2 -33.2 -38.8 26.3 -5.0 529 142 D N H S+ 0 0 1 -4,-2.4 5,-2.2 2,-0.2 4,-0.7 0.809 112.1 55.7 -74.5 -30.5 -32.9 24.9 2.5 535 148 D E H ><5S+ 0 0 14 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.942 103.9 54.5 -62.6 -48.4 -30.7 22.7 0.4 536 149 D A H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.3 47.2 -53.1 -39.0 -27.9 25.3 0.6 537 150 D A H 3<5S- 0 0 45 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.594 112.3-118.4 -84.1 -11.7 -28.1 25.2 4.4 538 151 D G T XX5 + 0 0 7 -3,-1.2 4,-1.7 -4,-0.7 3,-1.1 0.771 59.7 151.3 80.2 27.4 -28.1 21.4 4.6 539 152 D E H >>< + 0 0 5 -5,-2.2 4,-2.1 1,-0.2 3,-0.7 0.959 64.7 60.8 -51.4 -57.6 -31.5 21.2 6.3 540 153 D A H 3> S+ 0 0 1 -6,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.664 108.8 44.6 -50.6 -21.6 -32.4 17.8 4.9 541 154 D E H <> S+ 0 0 62 -3,-1.1 4,-2.8 2,-0.2 -1,-0.3 0.829 110.0 52.2 -89.1 -39.5 -29.3 16.3 6.6 542 155 D Q H << S+ 0 0 79 -4,-1.7 -2,-0.2 -3,-0.7 -3,-0.1 0.762 115.0 45.0 -67.6 -24.3 -29.9 18.0 10.0 543 156 D H H >X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.2 3,-1.3 0.867 112.0 49.8 -84.2 -43.7 -33.4 16.7 9.9 544 157 D R H 3X S+ 0 0 69 -4,-1.1 4,-2.0 -5,-0.3 5,-0.3 0.914 106.8 56.5 -58.4 -43.2 -32.4 13.2 8.8 545 158 D T H 3<>S+ 0 0 89 -4,-2.8 5,-0.6 1,-0.2 -1,-0.3 0.501 117.1 36.6 -70.4 -0.6 -29.8 13.1 11.6 546 159 D Y H <4>S+ 0 0 9 -3,-1.3 5,-2.4 3,-0.2 6,-0.6 0.730 112.0 52.7-115.4 -49.4 -32.7 13.8 14.1 547 160 D L H <5S+ 0 0 0 -4,-3.3 5,-0.2 1,-0.2 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