==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ATP BINDING PROTEIN 27-JUL-09 3IGF . COMPND 2 MOLECULE: ALL4481 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSAN . 669 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 76 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 4 4 0 0 0 1 0 0 1 3 1 5 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 8 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 . 3 0 3 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 2 A A 0 0 31 0, 0.0 2,-0.5 0, 0.0 125,-0.2 0.000 360.0 360.0 360.0 161.6 20.9 63.9 22.1 2 3 A L E -a 126 0A 16 123,-2.3 125,-3.0 178,-0.0 2,-0.7 -0.820 360.0-148.7 -89.1 127.6 23.0 62.1 19.5 3 4 A I E -ab 127 180A 14 176,-2.7 178,-2.2 -2,-0.5 2,-0.5 -0.915 21.1-170.4 -97.7 116.4 26.3 60.9 21.0 4 5 A L E +ab 128 181A 1 123,-2.4 125,-3.1 -2,-0.7 2,-0.3 -0.944 12.1 162.5-113.6 124.9 28.7 61.1 18.0 5 6 A T E -ab 129 182A 0 176,-1.9 178,-1.4 -2,-0.5 2,-0.4 -0.863 27.0-130.7-138.3 173.6 32.2 59.6 18.3 6 7 A F E - b 0 183A 4 123,-0.6 2,-0.4 -2,-0.3 178,-0.2 -0.976 8.9-156.6-130.8 142.5 35.1 58.4 16.1 7 8 A L E + b 0 184A 0 176,-2.3 178,-2.0 -2,-0.4 2,-0.3 -0.949 37.7 112.0-119.3 134.8 37.2 55.2 16.0 8 9 A G - 0 0 4 125,-1.9 178,-0.1 -2,-0.4 -2,-0.1 -0.917 67.1 -99.9 173.2 167.6 40.7 55.1 14.5 9 10 A K S S+ 0 0 46 176,-0.4 337,-1.4 -2,-0.3 2,-0.6 0.555 96.5 71.3 -87.2 -9.1 44.4 54.6 15.4 10 11 A S B > -H 345 0B 27 175,-0.2 4,-1.7 335,-0.2 335,-0.2 -0.919 57.5-167.2-115.3 111.6 45.5 58.2 15.3 11 12 A G H > S+ 0 0 2 333,-1.4 4,-2.4 -2,-0.6 5,-0.2 0.869 84.6 55.9 -64.1 -42.1 44.4 60.5 18.0 12 13 A V H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 110.1 46.5 -61.0 -41.4 45.4 63.8 16.5 13 14 A A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 111.4 51.6 -66.6 -37.9 43.3 63.2 13.3 14 15 A R H X S+ 0 0 19 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.890 108.9 50.7 -65.0 -39.3 40.3 62.0 15.4 15 16 A T H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.930 109.0 51.2 -66.8 -43.9 40.4 65.2 17.5 16 17 A K H X S+ 0 0 47 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.932 111.7 47.2 -57.6 -45.4 40.5 67.4 14.4 17 18 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.934 111.0 51.2 -61.6 -44.3 37.5 65.6 13.0 18 19 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 111.9 48.4 -59.6 -43.0 35.6 65.8 16.3 19 20 A I H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.930 113.7 45.2 -64.8 -45.0 36.3 69.6 16.4 20 21 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.904 111.6 51.6 -66.7 -37.3 35.2 70.2 12.9 21 22 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.942 112.4 47.6 -62.6 -45.3 32.0 68.1 13.3 22 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.912 112.9 47.8 -61.4 -45.8 31.1 70.1 16.4 23 24 A K H X S+ 0 0 60 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.946 113.0 49.2 -60.6 -47.4 31.8 73.4 14.7 24 25 A L H X S+ 0 0 26 -4,-3.0 4,-1.1 2,-0.2 -2,-0.2 0.941 113.2 44.4 -57.2 -52.8 29.8 72.3 11.7 25 26 A L H <>S+ 0 0 12 -4,-2.9 5,-2.4 1,-0.2 3,-0.5 0.905 113.6 50.2 -62.7 -40.3 26.7 71.2 13.7 26 27 A A H ><5S+ 0 0 3 -4,-2.5 3,-2.0 -5,-0.2 -1,-0.2 0.916 106.4 56.4 -65.2 -37.1 26.8 74.3 15.9 27 28 A S H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.5 53.5 -66.7 -22.7 27.0 76.5 12.9 28 29 A Q T 3<5S- 0 0 134 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.250 128.9 -95.6 -92.4 12.4 23.8 74.9 11.5 29 30 A G T < 5S+ 0 0 45 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.533 77.9 139.0 90.5 -0.2 21.9 75.6 14.8 30 31 A K < - 0 0 73 -5,-2.4 2,-0.7 -6,-0.2 -1,-0.3 -0.650 58.2-120.1 -78.9 139.0 22.4 72.3 16.6 31 32 A R - 0 0 108 -2,-0.3 94,-2.8 30,-0.1 95,-2.4 -0.726 43.8-166.8 -80.3 115.8 23.1 72.7 20.4 32 33 A V E -cd 61 126A 1 28,-3.1 30,-2.4 -2,-0.7 2,-0.5 -0.846 28.4-169.9-118.3 141.2 26.5 71.0 20.8 33 34 A L E -cd 62 127A 0 93,-2.3 95,-2.6 -2,-0.4 2,-0.6 -0.995 10.8-163.2-123.2 121.3 28.7 69.8 23.5 34 35 A L E -cd 63 128A 1 28,-3.1 30,-2.2 -2,-0.5 2,-0.5 -0.947 13.9-172.4-101.7 117.6 32.2 68.7 22.5 35 36 A A E +cd 64 129A 0 93,-2.7 95,-3.0 -2,-0.6 30,-0.2 -0.967 5.2 177.8-117.3 127.3 33.7 66.6 25.3 36 37 A G E -cd 65 130A 0 28,-2.5 30,-3.1 -2,-0.5 95,-0.1 -0.623 27.0-105.7-116.0 177.2 37.3 65.4 25.3 37 38 A L - 0 0 33 93,-0.6 2,-1.5 28,-0.2 5,-0.2 -0.368 52.1 -76.8 -94.8 180.0 39.6 63.5 27.6 38 39 A A S S+ 0 0 13 28,-0.4 431,-0.1 -2,-0.1 -1,-0.1 -0.651 89.7 113.9 -82.6 90.8 42.5 64.8 29.9 39 40 A E - 0 0 24 -2,-1.5 3,-0.4 430,-0.0 499,-0.1 -0.956 69.6-121.6-157.4 145.3 45.0 65.4 27.2 40 41 A P S > S+ 0 0 24 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.616 91.5 75.1 -71.5 -15.6 46.6 68.6 25.8 41 42 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.898 89.8 53.0 -67.9 -44.0 45.7 68.5 22.1 42 43 A L H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 5,-0.2 0.965 112.5 45.5 -57.4 -51.7 42.0 69.4 22.2 43 44 A P H >>S+ 0 0 22 0, 0.0 5,-2.4 0, 0.0 4,-0.5 0.900 115.9 48.4 -56.0 -44.9 42.7 72.7 24.2 44 45 A L H ><5S+ 0 0 88 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.921 109.6 49.2 -66.0 -44.8 45.6 73.5 21.9 45 46 A L H 3<5S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.3 -3,-0.2 0.855 117.4 42.4 -62.7 -33.2 43.8 73.0 18.6 46 47 A L H 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.475 104.5-132.8 -87.7 -7.4 40.9 75.2 19.9 47 48 A E T <<5S+ 0 0 175 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.935 70.2 114.9 51.6 50.1 43.4 77.7 21.4 48 49 A Q S S-E 61 0A 36 3,-1.3 3,-2.2 -32,-0.0 -1,-0.4 -0.947 101.8 -60.8-167.5 161.8 31.0 79.8 19.8 59 60 A P T 3 S+ 0 0 94 0, 0.0 -30,-0.2 0, 0.0 3,-0.0 -0.332 124.1 3.0 -56.1 133.2 27.2 80.0 19.6 60 61 A N T 3 S+ 0 0 71 1,-0.1 -28,-3.1 -31,-0.1 2,-0.5 0.569 112.6 105.7 69.3 12.8 25.6 76.6 20.2 61 62 A L E < +cE 32 58A 4 -3,-2.2 -4,-2.4 -30,-0.2 -3,-1.3 -0.916 39.7 169.3-134.0 108.2 29.1 75.2 21.0 62 63 A E E -cE 33 56A 51 -30,-2.4 -28,-3.1 -2,-0.5 2,-0.4 -0.863 15.3-156.9-111.9 150.4 30.3 74.3 24.5 63 64 A V E +cE 34 55A 0 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.3 -0.979 12.3 176.4-129.6 142.5 33.5 72.3 25.2 64 65 A V E -c 35 0A 0 -30,-2.2 -28,-2.5 -2,-0.4 2,-0.5 -0.991 21.3-141.8-144.7 145.8 34.5 70.3 28.3 65 66 A Q E -c 36 0A 22 -14,-2.5 2,-0.9 -2,-0.3 -28,-0.2 -0.925 19.6-134.8-108.1 128.0 37.4 68.2 29.3 66 67 A F - 0 0 7 -30,-3.1 2,-0.7 -2,-0.5 -28,-0.4 -0.751 21.9-174.3 -82.9 113.8 36.6 65.0 31.4 67 68 A Q > - 0 0 45 -2,-0.9 4,-2.4 1,-0.2 3,-0.5 -0.926 16.0-153.1-106.1 111.1 39.1 64.9 34.2 68 69 A S H > S+ 0 0 10 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.875 93.5 59.8 -51.7 -38.4 38.5 61.6 36.0 69 70 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 109.9 41.6 -54.6 -50.9 39.9 63.1 39.3 70 71 A V H > S+ 0 0 23 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.915 114.8 50.0 -65.0 -43.9 37.2 65.8 39.3 71 72 A L H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.916 113.1 47.7 -62.2 -40.9 34.4 63.4 38.2 72 73 A L H X S+ 0 0 15 -4,-3.1 4,-2.6 -5,-0.3 -1,-0.2 0.955 111.0 50.2 -64.0 -48.0 35.4 61.0 40.9 73 74 A E H X S+ 0 0 49 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.917 112.8 48.7 -56.1 -43.9 35.6 63.9 43.5 74 75 A R H X S+ 0 0 110 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.891 112.2 45.8 -65.5 -41.1 32.1 64.9 42.4 75 76 A N H X S+ 0 0 56 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.861 104.5 64.5 -70.2 -34.2 30.5 61.4 42.6 76 77 A W H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.889 98.1 53.8 -55.5 -40.3 32.2 60.9 46.0 77 78 A E H X S+ 0 0 72 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.918 106.9 51.1 -63.2 -37.8 30.1 63.7 47.4 78 79 A E H X S+ 0 0 105 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.891 108.0 53.3 -64.5 -35.9 27.0 61.9 46.2 79 80 A V H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 108.7 50.0 -62.9 -41.4 28.3 58.8 47.9 80 81 A K H X S+ 0 0 27 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.948 108.9 50.3 -63.1 -48.2 28.6 60.7 51.1 81 82 A K H X S+ 0 0 118 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.909 110.1 51.5 -57.8 -40.1 25.1 62.1 50.9 82 83 A L H >X S+ 0 0 98 -4,-2.2 4,-2.0 1,-0.2 3,-0.8 0.929 105.8 54.8 -62.0 -42.3 23.9 58.5 50.3 83 84 A E H 3X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.834 107.6 50.3 -58.2 -34.7 25.8 57.4 53.4 84 85 A A H 3< S+ 0 0 72 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.695 114.0 44.9 -77.2 -20.5 23.9 60.0 55.4 85 86 A Q H << S+ 0 0 121 -4,-1.1 -2,-0.2 -3,-0.8 -1,-0.2 0.679 125.3 30.1 -95.9 -20.3 20.6 58.8 54.1 86 87 A Y H < S+ 0 0 169 -4,-2.0 2,-0.4 -5,-0.2 -2,-0.2 0.552 114.2 59.1-115.4 -11.3 21.2 55.1 54.5 87 88 A L < - 0 0 66 -4,-1.8 -1,-0.1 -5,-0.3 4,-0.0 -0.963 50.1-165.1-124.9 141.0 23.5 54.9 57.5 88 89 A R S S+ 0 0 221 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.671 94.1 43.9 -89.8 -20.3 22.9 56.1 61.0 89 90 A T S S- 0 0 97 -6,-0.1 -1,-0.3 0, 0.0 -5,-0.0 -0.874 89.0-141.7-128.5 98.2 26.6 55.8 61.6 90 91 A P + 0 0 69 0, 0.0 -2,-0.0 0, 0.0 -6,-0.0 -0.038 23.8 172.4 -54.2 157.4 28.9 57.1 58.8 91 92 A I S S+ 0 0 23 4,-0.0 3,-0.3 -4,-0.0 4,-0.2 0.544 77.2 33.4-136.4 -41.7 32.1 55.3 57.8 92 93 A I S S+ 0 0 15 1,-0.2 3,-0.5 2,-0.1 -12,-0.1 0.418 85.4 102.0-101.4 4.6 33.5 56.9 54.7 93 94 A K S S+ 0 0 132 1,-0.2 -1,-0.2 -13,-0.1 -13,-0.1 0.784 77.5 60.1 -55.9 -28.5 32.4 60.4 55.5 94 95 A E S S+ 0 0 102 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.928 81.2 91.7 -66.9 -47.4 36.0 61.2 56.5 95 96 A V S S- 0 0 0 -3,-0.5 2,-0.2 -4,-0.2 540,-0.1 -0.290 75.5-133.4 -54.7 120.7 37.7 60.4 53.2 96 97 A Y >> - 0 0 103 1,-0.1 3,-1.6 -2,-0.1 4,-0.6 -0.522 9.7-129.0 -79.7 144.8 38.0 63.6 51.1 97 98 A G G >4 S+ 0 0 0 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.810 105.5 66.9 -59.8 -28.2 37.1 63.4 47.4 98 99 A Q G 34 S+ 0 0 26 1,-0.2 -1,-0.3 -25,-0.1 534,-0.1 0.658 96.9 50.8 -70.8 -18.3 40.4 65.0 46.6 99 100 A E G <4 S+ 0 0 0 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.622 80.4 115.5 -95.7 -10.5 42.5 62.0 47.8 100 101 A L << - 0 0 2 -3,-0.7 2,-0.4 -4,-0.6 -27,-0.1 -0.298 58.5-139.0 -62.7 138.7 40.7 59.3 45.8 101 102 A V - 0 0 12 379,-0.1 2,-0.4 -29,-0.1 -1,-0.1 -0.825 17.3-117.7-102.7 134.6 42.8 57.5 43.2 102 103 A V - 0 0 5 -2,-0.4 544,-0.1 542,-0.1 378,-0.1 -0.574 30.4-159.4 -74.9 125.4 41.3 56.7 39.8 103 104 A L >> - 0 0 32 -2,-0.4 3,-1.8 1,-0.1 4,-0.8 -0.752 33.7 -85.2-102.0 155.6 41.2 52.9 39.1 104 105 A P T 34 S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.239 120.2 28.8 -54.0 145.8 41.0 51.3 35.6 105 106 A G T 3> S+ 0 0 13 334,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.197 104.0 81.7 91.9 -42.5 37.3 51.0 34.7 106 107 A X H <> S+ 0 0 54 -3,-1.8 4,-3.1 -2,-0.3 5,-0.3 0.900 85.8 57.0 -63.5 -40.5 36.5 54.1 36.8 107 108 A D H X S+ 0 0 11 -4,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.942 111.4 41.9 -55.1 -50.6 37.6 56.4 34.0 108 109 A S H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 116.2 48.2 -63.3 -46.6 35.1 54.9 31.5 109 110 A A H X S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.882 114.1 46.1 -61.6 -45.6 32.3 54.6 34.0 110 111 A L H X S+ 0 0 16 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.881 113.9 49.4 -64.3 -39.6 32.7 58.2 35.1 111 112 A A H X S+ 0 0 4 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.916 112.6 46.1 -65.9 -46.2 33.0 59.5 31.6 112 113 A L H X S+ 0 0 33 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.903 111.5 52.0 -66.3 -40.1 29.8 57.6 30.4 113 114 A N H X S+ 0 0 34 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 109.6 50.1 -63.2 -37.9 27.9 58.8 33.5 114 115 A A H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.945 111.5 48.0 -65.4 -43.7 28.9 62.4 32.7 115 116 A I H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.946 109.7 53.0 -60.9 -45.9 27.8 62.0 29.1 116 117 A R H X S+ 0 0 102 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.889 109.0 50.1 -55.2 -42.4 24.5 60.4 30.4 117 118 A E H X S+ 0 0 99 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.927 111.5 46.8 -66.2 -39.8 23.9 63.5 32.6 118 119 A Y H <>S+ 0 0 41 -4,-2.6 5,-0.5 1,-0.2 6,-0.4 0.908 114.5 48.3 -67.5 -37.8 24.5 65.9 29.7 119 120 A D H ><5S+ 0 0 34 -4,-2.8 3,-1.1 -5,-0.2 -2,-0.2 0.906 110.9 50.2 -66.0 -41.3 22.2 63.8 27.5 120 121 A A H 3<5S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.680 96.3 71.3 -71.8 -17.7 19.6 63.7 30.3 121 122 A S T 3<5S- 0 0 55 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.642 93.6-139.6 -72.0 -17.8 19.7 67.5 30.7 122 123 A G T < 5 + 0 0 45 -3,-1.1 -3,-0.1 -4,-0.4 -2,-0.1 0.550 70.0 117.3 69.2 6.6 18.0 68.0 27.4 123 124 A K < + 0 0 118 -5,-0.5 2,-0.4 1,-0.0 -4,-0.1 0.629 63.7 65.0 -81.5 -9.2 20.3 71.0 26.6 124 125 A Y - 0 0 10 -6,-0.4 -92,-0.2 -5,-0.2 3,-0.1 -0.906 46.0-172.6-124.5 148.2 22.0 69.4 23.6 125 126 A D S S+ 0 0 53 -94,-2.8 -123,-2.3 -2,-0.4 2,-0.4 0.787 90.1 18.4 -91.2 -34.9 21.2 68.1 20.2 126 127 A T E -ad 2 32A 2 -95,-2.4 -93,-2.3 -125,-0.2 2,-0.6 -0.999 55.7-165.3-142.0 136.4 24.6 66.6 19.8 127 128 A I E -ad 3 33A 0 -125,-3.0 -123,-2.4 -2,-0.4 2,-0.7 -0.980 17.0-158.5-118.6 109.7 27.4 65.5 22.2 128 129 A V E -ad 4 34A 0 -95,-2.6 -93,-2.7 -2,-0.6 2,-0.7 -0.821 10.1-156.0 -91.5 115.5 30.5 64.9 20.1 129 130 A Y E -ad 5 35A 5 -125,-3.1 2,-1.4 -2,-0.7 -123,-0.6 -0.863 11.9-163.3-104.0 114.9 32.7 62.7 22.2 130 131 A D E + d 0 36A 8 -95,-3.0 -93,-0.6 -2,-0.7 -125,-0.1 -0.646 36.7 151.5 -91.3 79.5 36.5 62.8 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