==== 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 3JTT . 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 . 1155 9 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 768 66.5 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 . 408 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 . 15 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 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 . 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 . 88 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 2 0 0 0 0 2 0 5 0 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 . 6 18 9 6 1 11 0 6 8 4 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 6 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 18 0, 0.0 2,-0.4 0, 0.0 949,-0.1 0.000 360.0 360.0 360.0-127.0 4.3 -20.1 53.2 2 2 A S - 0 0 82 948,-0.1 2,-0.2 102,-0.1 102,-0.2 -0.865 360.0-173.0-106.7 135.9 2.3 -20.9 50.1 3 3 A H E -A 103 0A 15 100,-1.9 100,-2.9 -2,-0.4 2,-0.3 -0.732 2.8-165.0-119.4 170.9 1.4 -18.4 47.4 4 4 A S E -A 102 0A 22 98,-0.2 25,-2.5 -2,-0.2 2,-0.4 -0.995 18.1-150.6-158.1 146.5 -0.8 -18.5 44.4 5 5 A M E -AB 101 28A 0 96,-2.0 96,-1.1 -2,-0.3 2,-0.4 -0.991 26.6-178.8-118.2 130.6 -1.8 -16.8 41.1 6 6 A R E -AB 100 27A 44 21,-2.4 21,-3.1 -2,-0.4 2,-0.4 -0.969 15.6-162.7-131.8 143.6 -5.3 -17.3 39.9 7 7 A Y E -AB 99 26A 1 92,-2.2 92,-1.1 -2,-0.4 2,-0.5 -0.972 6.1-160.1-122.4 143.5 -7.4 -16.2 36.9 8 8 A F E -AB 98 25A 24 17,-2.7 17,-1.1 -2,-0.4 2,-0.4 -0.924 7.7-170.9-128.5 107.5 -11.1 -16.2 36.6 9 9 A Y E -AB 97 24A 2 88,-2.9 88,-2.1 -2,-0.5 2,-0.4 -0.786 1.8-170.9 -98.1 137.0 -12.8 -16.2 33.2 10 10 A T E -AB 96 23A 1 13,-2.5 13,-2.4 -2,-0.4 2,-0.6 -0.972 1.6-172.4-129.5 119.3 -16.6 -15.7 32.7 11 11 A S E -AB 95 22A 9 84,-2.9 84,-2.4 -2,-0.4 2,-0.5 -0.934 9.6-176.5-113.2 113.2 -18.2 -16.2 29.3 12 12 A M E -AB 94 21A 7 9,-2.9 9,-3.0 -2,-0.6 2,-0.2 -0.931 16.1-157.0-114.9 124.6 -21.9 -15.2 29.1 13 13 A S - 0 0 23 80,-2.1 80,-0.3 -2,-0.5 6,-0.1 -0.638 18.6-174.9 -82.3 155.9 -24.2 -15.5 26.2 14 14 A R - 0 0 37 4,-0.5 4,-0.5 -2,-0.2 78,-0.1 -0.439 9.0-150.2-162.5 79.9 -27.1 -13.2 26.4 15 15 A P + 0 0 51 0, 0.0 2,-0.2 0, 0.0 75,-0.1 -0.257 69.7 73.5 -59.1 167.2 -30.1 -13.0 24.0 16 16 A G S S- 0 0 67 75,-0.0 -2,-0.1 0, 0.0 75,-0.0 -0.585 125.5 -53.0 -59.0 -60.6 -32.1 -11.4 22.8 17 17 A R S S+ 0 0 210 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.496 89.3 128.9-129.7 -7.7 -29.4 -9.9 20.7 18 18 A W - 0 0 184 -4,-0.5 -4,-0.5 1,-0.1 3,-0.1 -0.239 66.1-108.2 -49.7 134.8 -26.6 -8.6 22.9 19 19 A E - 0 0 141 1,-0.1 -1,-0.1 -6,-0.1 -2,-0.1 -0.379 46.4 -90.2 -60.2 144.9 -23.2 -9.8 21.9 20 20 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.158 45.6-131.1 -54.4 156.0 -21.8 -12.4 24.4 21 21 A R E -B 12 0A 59 -9,-3.0 -9,-2.9 -3,-0.1 2,-0.5 -0.921 16.1-163.1-121.2 140.6 -19.7 -11.0 27.2 22 22 A F E -B 11 0A 1 -2,-0.4 16,-2.3 -11,-0.2 2,-0.4 -0.965 8.0-178.3-125.7 118.2 -16.3 -11.9 28.6 23 23 A I E -BC 10 37A 10 -13,-2.4 -13,-2.5 -2,-0.5 2,-0.4 -0.933 4.1-172.4-114.8 137.6 -15.0 -10.9 32.0 24 24 A A E -BC 9 36A 2 12,-2.3 12,-2.1 -2,-0.4 2,-0.3 -0.980 4.2-179.1-131.0 143.1 -11.6 -11.7 33.3 25 25 A V E -BC 8 35A 0 -17,-1.1 -17,-2.7 -2,-0.4 2,-0.4 -1.000 9.8-155.4-142.9 139.5 -10.0 -11.2 36.7 26 26 A G E -BC 7 34A 0 8,-1.6 7,-2.6 -2,-0.3 8,-1.0 -0.944 10.3-172.7-121.6 138.5 -6.6 -12.0 38.2 27 27 A Y E -BC 6 32A 32 -21,-3.1 -21,-2.4 -2,-0.4 2,-0.5 -0.942 20.4-159.4-127.3 147.0 -5.5 -12.6 41.7 28 28 A V E > S-BC 5 31A 0 3,-3.3 3,-2.1 -2,-0.3 2,-0.4 -0.966 80.1 -48.5-118.4 111.3 -2.2 -13.0 43.7 29 29 A D T 3 S- 0 0 31 -25,-2.5 -23,-0.1 -2,-0.5 -26,-0.0 -0.517 125.8 -21.6 59.1-118.8 -3.2 -14.8 46.9 30 30 A D T 3 S+ 0 0 62 -2,-0.4 2,-0.5 149,-0.1 -1,-0.3 0.236 121.2 95.4-102.4 12.8 -6.2 -12.7 48.1 31 31 A T E < -C 28 0A 29 -3,-2.1 -3,-3.3 148,-0.0 2,-0.2 -0.913 65.6-143.2-112.1 120.6 -5.2 -9.6 46.1 32 32 A Q E +C 27 0A 29 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.517 24.0 169.4 -72.8 146.4 -6.7 -8.8 42.7 33 33 A F E + 0 0 0 -7,-2.6 15,-2.4 1,-0.3 16,-0.9 0.528 55.5 33.5-136.3 -17.5 -4.2 -7.2 40.3 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-1.6 13,-0.3 -1,-0.3 -0.958 55.0-171.1-140.7 162.5 -5.8 -7.2 36.8 35 35 A R E -CD 25 46A 60 11,-1.8 11,-2.4 -2,-0.3 2,-0.3 -0.995 4.8-179.0-149.2 148.3 -9.2 -6.8 35.2 36 36 A F E +C 24 0A 1 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.3 -0.980 1.6 177.4-147.9 145.9 -10.9 -7.1 31.8 37 37 A D E > -C 23 0A 32 -2,-0.3 3,-1.3 7,-0.3 6,-0.4 -0.860 23.1-152.5-151.7 108.6 -14.4 -6.5 30.6 38 38 A S T 3 S+ 0 0 20 -16,-2.3 -15,-0.1 -2,-0.3 -1,-0.1 0.665 101.0 54.4 -56.2 -16.5 -15.5 -6.9 27.0 39 39 A D T 3 S+ 0 0 72 -17,-0.2 -1,-0.3 -3,-0.0 -16,-0.1 0.784 88.6 94.4 -87.3 -30.9 -18.3 -4.4 27.8 40 40 A A S < S- 0 0 30 -3,-1.3 -3,-0.0 1,-0.1 3,-0.0 -0.122 79.4-124.7 -60.7 159.2 -16.0 -1.6 29.2 41 41 A A S S+ 0 0 98 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.894 100.2 70.6 -73.1 -42.0 -14.7 1.2 27.0 42 42 A S S S- 0 0 55 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.874 73.6-163.5 -39.7 -58.9 -11.1 0.6 27.7 43 43 A Q + 0 0 65 -6,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.740 56.8 94.4 70.2 25.0 -10.8 -2.7 25.7 44 44 A R S S- 0 0 89 -7,-0.1 2,-0.6 23,-0.1 -1,-0.3 -0.933 89.3 -90.2-138.6 163.0 -7.5 -3.5 27.5 45 45 A M - 0 0 3 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.669 50.0-155.1 -73.7 116.2 -6.3 -5.3 30.6 46 46 A E E -D 35 0A 44 -11,-2.4 -11,-1.8 -2,-0.6 2,-0.2 -0.724 13.4-115.0 -99.9 145.0 -6.4 -2.8 33.4 47 47 A P E +D 34 0A 42 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.514 27.5 176.5 -72.6 140.9 -4.3 -2.8 36.6 48 48 A R + 0 0 89 -15,-2.4 -14,-0.2 -2,-0.2 -16,-0.1 0.202 67.8 55.5-127.6 9.3 -6.1 -3.2 39.9 49 49 A A S >> S- 0 0 4 -16,-0.9 3,-1.3 1,-0.1 4,-0.8 -0.995 78.6-129.1-140.6 142.9 -3.1 -3.3 42.1 50 50 A P H >> S+ 0 0 51 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.874 101.8 62.9 -55.6 -42.2 -0.2 -0.7 42.4 51 51 A W H 34 S+ 0 0 24 1,-0.3 123,-0.1 2,-0.2 125,-0.1 0.477 104.6 45.6 -74.3 -2.5 2.6 -3.2 42.0 52 52 A V H <4 S+ 0 0 0 -3,-1.3 3,-0.3 -19,-0.1 -1,-0.3 0.568 93.4 78.3-104.6 -17.5 1.6 -4.2 38.4 53 53 A E H << S+ 0 0 111 -3,-0.9 2,-1.8 -4,-0.8 -2,-0.2 0.841 81.2 71.6 -58.0 -33.0 1.1 -0.6 37.3 54 54 A Q S < S+ 0 0 168 -4,-0.7 2,-0.4 120,-0.0 -1,-0.3 -0.307 78.6 117.1 -80.3 53.5 4.9 -0.4 37.1 55 55 A E - 0 0 27 -2,-1.8 5,-0.1 -3,-0.3 -3,-0.1 -0.967 68.2-102.1-128.2 142.6 4.9 -2.7 34.0 56 56 A G > - 0 0 35 -2,-0.4 4,-1.3 1,-0.1 3,-0.4 0.022 29.6-113.2 -56.5 163.3 6.0 -1.9 30.4 57 57 A P H > S+ 0 0 102 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.788 116.9 62.9 -67.6 -28.5 3.6 -1.2 27.5 58 58 A E H > S+ 0 0 160 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.846 100.0 53.5 -65.4 -35.4 4.7 -4.5 26.0 59 59 A Y H > S+ 0 0 16 -3,-0.4 4,-2.3 1,-0.2 3,-0.2 0.957 111.8 42.4 -62.7 -52.6 3.3 -6.4 29.0 60 60 A W H X S+ 0 0 23 -4,-1.3 4,-1.7 1,-0.2 -15,-0.4 0.736 109.3 61.4 -68.9 -22.6 -0.2 -4.8 28.7 61 61 A D H X S+ 0 0 66 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.912 109.1 40.3 -68.8 -43.4 -0.0 -5.2 25.0 62 62 A R H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.948 113.7 52.5 -69.2 -50.3 0.2 -9.0 25.3 63 63 A E H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.884 111.2 49.2 -51.9 -41.1 -2.3 -9.2 28.2 64 64 A T H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.906 107.0 54.4 -67.1 -42.9 -4.7 -7.3 26.0 65 65 A R H X S+ 0 0 145 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.940 109.1 48.7 -54.9 -49.5 -4.2 -9.5 23.0 66 66 A N H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.911 110.4 50.3 -57.7 -46.2 -5.1 -12.6 25.1 67 67 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.893 112.1 47.6 -61.0 -41.7 -8.2 -11.0 26.5 68 68 A K H X S+ 0 0 90 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.894 111.7 50.5 -66.1 -40.1 -9.4 -10.0 23.0 69 69 A A H X S+ 0 0 30 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.901 111.5 47.9 -63.4 -41.9 -8.6 -13.5 21.7 70 70 A E H X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.874 110.8 52.7 -63.6 -37.7 -10.6 -14.9 24.6 71 71 A T H < S+ 0 0 27 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 109.9 47.1 -69.6 -33.1 -13.4 -12.5 23.8 72 72 A Q H X S+ 0 0 146 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.844 113.5 47.9 -76.8 -34.9 -13.5 -13.6 20.1 73 73 A N H X S+ 0 0 24 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.802 94.1 80.0 -73.4 -29.9 -13.5 -17.3 21.0 74 74 A A H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.878 89.7 49.5 -46.4 -54.7 -16.3 -16.8 23.6 75 75 A P H > S+ 0 0 48 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.906 114.3 46.0 -55.0 -44.2 -19.2 -16.7 21.2 76 76 A V H X S+ 0 0 51 -4,-0.6 4,-2.6 -3,-0.4 -2,-0.2 0.896 111.6 51.7 -66.4 -42.4 -18.0 -19.9 19.4 77 77 A N H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.934 112.7 45.0 -57.8 -48.8 -17.4 -21.7 22.7 78 78 A L H X S+ 0 0 12 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.850 114.3 50.2 -63.9 -35.1 -20.9 -20.9 23.9 79 79 A R H X S+ 0 0 157 -4,-1.9 4,-0.8 -5,-0.3 -2,-0.2 0.838 109.9 51.6 -73.1 -34.1 -22.2 -21.9 20.6 80 80 A N H >X S+ 0 0 36 -4,-2.6 4,-1.7 2,-0.2 3,-1.0 0.963 112.0 42.8 -65.8 -54.9 -20.3 -25.2 20.7 81 81 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.3 6,-0.3 0.820 107.0 62.5 -62.5 -31.8 -21.5 -26.3 24.1 82 82 A R H 3<>S+ 0 0 58 -4,-1.5 5,-1.9 -5,-0.3 -1,-0.3 0.816 106.5 47.4 -62.0 -28.6 -25.0 -25.1 23.2 83 83 A G H X<5S+ 0 0 46 -3,-1.0 3,-1.4 -4,-0.8 -2,-0.2 0.876 105.0 56.3 -78.8 -41.0 -24.8 -27.8 20.5 84 84 A Y H 3<5S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.829 114.9 40.0 -60.5 -32.2 -23.4 -30.6 22.8 85 85 A Y T 3<5S- 0 0 70 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.271 106.8-123.5-103.2 10.7 -26.5 -30.2 25.0 86 86 A N T < 5 + 0 0 155 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.798 55.1 164.4 51.5 31.3 -29.0 -29.7 22.2 87 87 A Q < - 0 0 48 -5,-1.9 -1,-0.2 -6,-0.3 2,-0.1 -0.457 41.3 -99.2 -80.0 151.9 -29.9 -26.4 23.9 88 88 A S > - 0 0 68 -2,-0.1 3,-1.2 1,-0.1 2,-1.2 -0.408 19.7-126.9 -71.2 143.7 -31.9 -23.7 22.1 89 89 A E T 3 S+ 0 0 134 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 -0.221 103.1 69.7 -78.9 46.3 -30.1 -20.7 20.5 90 90 A A T 3 S+ 0 0 63 -2,-1.2 -1,-0.2 -75,-0.1 2,-0.2 0.470 82.7 78.4-134.2 -18.2 -32.5 -18.6 22.5 91 91 A G S < S- 0 0 34 -3,-1.2 2,-0.3 -77,-0.1 -77,-0.1 -0.494 75.8-109.2 -99.5 166.1 -31.4 -19.0 26.1 92 92 A S + 0 0 67 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.696 37.4 171.8 -93.8 144.5 -28.5 -17.7 28.3 93 93 A H - 0 0 11 -2,-0.3 -80,-2.1 -80,-0.3 2,-0.4 -0.945 18.6-139.6-147.1 166.1 -25.6 -19.7 29.4 94 94 A T E -A 12 0A 8 -2,-0.3 25,-2.7 -82,-0.2 2,-0.5 -0.991 6.3-166.7-136.7 135.5 -22.2 -19.4 31.1 95 95 A I E -AE 11 118A 4 -84,-2.4 -84,-2.9 -2,-0.4 2,-0.3 -0.987 16.4-169.8-116.9 122.2 -18.7 -20.9 30.8 96 96 A Q E -AE 10 117A 0 21,-2.1 21,-2.2 -2,-0.5 2,-0.4 -0.858 2.3-167.9-111.2 147.3 -16.3 -20.3 33.6 97 97 A R E -AE 9 116A 15 -88,-2.1 -88,-2.9 -2,-0.3 2,-0.4 -0.993 6.6-177.9-138.7 131.0 -12.6 -21.0 33.7 98 98 A M E +AE 8 115A 17 17,-2.7 17,-2.7 -2,-0.4 2,-0.3 -0.989 16.0 152.0-129.0 124.8 -10.1 -21.1 36.5 99 99 A Y E +AE 7 114A 0 -92,-1.1 -92,-2.2 -2,-0.4 2,-0.3 -0.941 11.5 112.0-142.5 165.7 -6.4 -21.7 36.1 100 100 A G E -AE 6 113A 0 13,-1.4 13,-1.9 -2,-0.3 2,-0.3 -0.912 48.5 -85.9 153.8-178.6 -3.2 -20.8 37.9 101 101 A a E -AE 5 112A 0 -96,-1.1 -96,-2.0 -2,-0.3 2,-0.5 -0.902 16.3-142.5-126.7 148.5 -0.3 -22.0 40.0 102 102 A D E -AE 4 111A 24 9,-2.8 8,-3.1 -2,-0.3 9,-1.1 -0.950 18.5-148.7-107.9 127.0 0.5 -22.7 43.7 103 103 A L E -AE 3 109A 14 -100,-2.9 -100,-1.9 -2,-0.5 6,-0.2 -0.857 13.9-147.7-100.7 117.0 4.0 -21.8 44.8 104 104 A G > - 0 0 4 4,-2.1 3,-1.9 -2,-0.6 -102,-0.1 -0.255 30.0-102.9 -78.7 166.7 5.4 -24.0 47.6 105 105 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -103,-0.1 0.695 122.5 61.9 -59.5 -20.0 7.8 -23.0 50.4 106 106 A D T 3 S- 0 0 121 2,-0.2 3,-0.1 1,-0.0 -3,-0.0 0.625 115.6-116.4 -82.0 -15.7 10.5 -24.8 48.3 107 107 A G S < S+ 0 0 27 -3,-1.9 2,-0.2 1,-0.4 62,-0.1 0.563 79.7 106.7 91.3 10.3 10.0 -22.4 45.4 108 108 A R S S- 0 0 191 1,-0.1 -4,-2.1 2,-0.0 2,-0.5 -0.671 86.1 -66.6-114.9 171.9 8.7 -25.0 43.0 109 109 A L E +E 103 0A 46 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.425 45.6 178.3 -63.6 112.1 5.3 -25.8 41.6 110 110 A L E - 0 0 96 -8,-3.1 2,-0.3 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78.4-102.2 -20.8 26.1 -1.6 60.3 441 53 D E H << S+ 0 0 104 -4,-0.9 2,-2.0 -3,-0.7 -2,-0.2 0.843 81.2 72.1 -54.7 -34.0 27.2 -1.1 63.8 442 54 D Q S < S+ 0 0 165 -4,-0.7 2,-0.4 120,-0.0 -1,-0.3 -0.349 78.2 117.1 -80.1 57.1 27.4 -4.9 64.0 443 55 D E - 0 0 25 -2,-2.0 5,-0.1 -3,-0.2 -3,-0.1 -0.977 68.8-101.1-130.9 143.3 30.5 -4.9 61.8 444 56 D G >> - 0 0 35 -2,-0.4 4,-1.3 1,-0.1 3,-1.2 -0.087 29.6-115.8 -58.0 155.7 34.1 -6.1 62.5 445 57 D P H 3> S+ 0 0 101 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.771 116.2 65.8 -62.6 -27.0 36.9 -3.6 63.2 446 58 D E H 3> S+ 0 0 164 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.797 99.9 51.6 -64.6 -29.9 38.5 -4.8 60.0 447 59 D Y H <> S+ 0 0 14 -3,-1.2 4,-2.4 2,-0.2 3,-0.2 0.954 111.8 42.9 -70.2 -52.7 35.5 -3.3 58.1 448 60 D W H X S+ 0 0 23 -4,-1.3 4,-1.3 1,-0.2 -15,-0.4 0.699 109.5 61.5 -68.5 -19.0 35.8 0.1 59.8 449 61 D D H X S+ 0 0 77 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.909 109.3 39.4 -71.5 -43.6 39.5 -0.0 59.3 450 62 D R H X S+ 0 0 43 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.951 113.3 53.3 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16.3 44.2 485 97 D R E -XB 397 504H 19 -88,-2.2 -88,-3.1 -2,-0.4 2,-0.4 -0.981 5.7-179.6-137.3 125.1 30.9 12.6 43.5 486 98 D M E +XB 396 503H 17 17,-2.8 17,-2.8 -2,-0.4 2,-0.3 -0.988 14.8 153.8-123.9 127.1 28.0 10.2 43.5 487 99 D Y E +XB 395 502H 0 -92,-1.3 -92,-2.1 -2,-0.4 2,-0.3 -0.964 10.1 115.3-144.6 161.5 28.4 6.5 42.8 488 100 D G E -XB 394 501H 0 13,-1.3 13,-2.0 -2,-0.3 2,-0.3 -0.943 46.8 -88.7 160.2-178.8 26.5 3.3 43.6 489 101 D d E -XB 393 500H 0 -96,-1.0 -96,-1.9 -2,-0.3 2,-0.5 -0.921 16.6-143.2-126.7 145.8 24.5 0.3 42.4 490 102 D D E -XB 392 499H 24 9,-2.7 8,-3.3 -2,-0.3 9,-1.0 -0.941 19.0-146.8-106.2 125.2 20.9 -0.5 41.8 491 103 D L E -XB 391 497H 14 -100,-2.5 -100,-1.5 -2,-0.5 6,-0.2 -0.821 14.5-144.2 -95.8 121.3 19.8 -4.0 42.7 492 104 D G > - 0 0 4 4,-2.6 3,-2.3 -2,-0.6 -102,-0.0 -0.312 28.1-104.3 -80.6 164.7 17.1 -5.5 40.4 493 105 D P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -103,-0.0 0.630 122.1 60.5 -60.7 -14.3 14.2 -7.8 41.4 494 106 D D T 3 S- 0 0 118 2,-0.2 3,-0.1 0, 0.0 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1 8,-3.4 7,-2.8 -2,-0.4 8,-1.0 -0.851 1.8-159.6-122.9 156.9 31.1 14.0 39.3 505 117 D A E -BC 484 510H 1 -21,-2.0 -21,-1.9 -2,-0.3 2,-0.5 -0.951 9.8-147.3-132.3 153.4 30.2 17.7 39.3 506 118 D Y E > S-BC 483 509H 14 3,-2.5 3,-0.7 -2,-0.3 -23,-0.2 -0.940 85.1 -18.0-124.1 110.1 32.2 20.9 39.6 507 119 D D T 3 S- 0 0 17 -25,-2.3 160,-0.4 -2,-0.5 -1,-0.1 0.854 130.2 -49.6 63.7 36.9 30.5 23.8 41.3 508 120 D G T 3 S+ 0 0 22 1,-0.3 2,-0.4 -26,-0.2 -1,-0.2 0.467 116.1 108.6 86.9 2.4 27.0 22.2 40.9 509 121 D K E < S-C 506 0H 125 -3,-0.7 -3,-2.5 217,-0.1 -1,-0.3 -0.906 81.7 -92.8-113.6 142.0 27.3 21.4 37.2 510 122 D D E +C 505 0H 119 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.219 48.3 169.6 -46.8 130.1 27.8 18.0 35.6 511 123 D Y E - 0 0 4 -7,-2.8 13,-3.0 1,-0.4 14,-0.4 0.762 57.4 -16.6-111.4 -67.8 31.5 17.4 35.1 512 124 D I E -CD 504 523H 3 -8,-1.0 -8,-3.4 11,-0.2 -1,-0.4 -0.989 61.1-175.0-143.1 150.3 32.2 13.8 34.1 513 125 D A E -CD 503 522H 26 9,-1.2 9,-2.2 -2,-0.3 -10,-0.2 -0.983 27.6-120.8-152.3 135.4 30.1 10.7 34.3 514 126 D L E - D 0 521H 12 -12,-2.9 -12,-0.3 -2,-0.3 7,-0.2 -0.551 41.2-121.3 -69.5 135.0 30.5 7.0 33.6 515 127 D N > - 0 0 47 5,-3.1 3,-2.2 -2,-0.2 5,-0.1 -0.235 25.6-100.8 -74.5 168.5 28.0 5.9 31.0 516 128 D E T 3 S+ 0 0 121 1,-0.3 -16,-0.2 2,-0.1 -1,-0.1 0.702 122.1 64.3 -65.1 -17.8 25.3 3.2 31.6 517 129 D D T 3 S- 0 0 79 3,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.532 99.5-138.5 -81.2 -5.6 27.5 0.7 29.7 518 130 D L S < S+ 0 0 10 -3,-2.2 27,-0.2 2,-0.2 26,-0.2 0.705 85.7 86.2 56.5 22.0 30.1 1.1 32.5 519 131 D R S S+ 0 0 161 1,-0.2 2,-0.3 26,-0.1 23,-0.2 0.457 84.5 39.5-127.6 -9.5 32.8 1.2 29.8 520 132 D S - 0 0 39 21,-0.1 -5,-3.1 -5,-0.1 2,-0.3 -0.944 66.5-129.4-143.8 162.7 32.9 4.8 28.7 521 133 D W E -D 514 0H 15 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.783 4.5-147.5-114.0 156.0 32.9 8.4 30.0 522 134 D T E -D 513 0H 81 -9,-2.2 -9,-1.2 -2,-0.3 2,-0.4 -0.951 18.0-160.6-122.4 110.1 30.9 11.5 29.2 523 135 D A E -D 512 0H 22 -2,-0.5 -11,-0.2 -11,-0.2 -12,-0.1 -0.734 15.5-145.9 -93.6 136.7 32.8 14.7 29.8 524 136 D A S S- 0 0 58 -13,-3.0 2,-0.3 -2,-0.4 -1,-0.1 0.828 76.5 -17.2 -68.3 -33.3 31.0 18.0 30.1 525 137 D D S > S- 0 0 60 -14,-0.4 4,-1.7 -3,-0.0 -1,-0.1 -0.928 81.6 -75.5-159.6-178.8 33.8 20.0 28.4 526 138 D M H > S+ 0 0 148 -2,-0.3 4,-0.6 1,-0.2 -2,-0.0 0.735 126.1 58.6 -61.5 -23.1 37.4 20.1 27.3 527 139 D A H >> S+ 0 0 10 2,-0.2 3,-1.6 1,-0.2 4,-0.8 0.962 105.2 46.6 -67.8 -53.4 38.3 20.6 30.9 528 140 D A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.790 102.3 67.0 -58.9 -29.1 36.7 17.4 32.1 529 141 D Q H 3X S+ 0 0 53 -4,-1.7 4,-2.6 1,-0.3 -1,-0.3 0.758 89.8 63.5 -66.9 -23.6 38.4 15.6 29.2 530 142 D N H S+ 0 0 8 -4,-2.9 5,-3.1 1,-0.2 6,-0.5 0.754 111.5 52.7 -69.2 -24.9 40.9 7.9 33.9 536 148 D E H ><5S+ 0 0 105 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.2 0.884 106.2 52.5 -75.1 -40.3 41.2 6.2 30.6 537 149 D A H 3<5S+ 0 0 92 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 112.1 46.2 -63.1 -34.4 44.9 5.7 30.8 538 150 D A T 3<5S- 0 0 52 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.333 111.3-122.8 -90.7 6.7 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