==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-APR-03 1OFB . COMPND 2 MOLECULE: PHOSPHO-2-DEHYDRO-3-DEOXYHEPTONATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR V.KOENIG,A.PFEIL,G.HEINRICH,G.H.BRAUS,T.R.SCHNEIDER . 685 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.4 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 2 0 0 2 2 2 2 0 0 2 0 0 0 2 4 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 5 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 21 A E 0 0 67 0, 0.0 519,-0.1 0, 0.0 491,-0.0 0.000 360.0 360.0 360.0 155.1 101.8 -5.4 32.1 2 22 A D > + 0 0 50 517,-0.2 3,-0.8 1,-0.1 518,-0.1 0.524 360.0 128.6 59.6 9.0 99.2 -5.0 35.0 3 23 A V T 3 S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.0 517,-0.1 0.778 82.5 37.9 -60.9 -24.1 100.3 -8.4 36.5 4 24 A R T 3 S+ 0 0 27 515,-0.5 561,-2.9 560,-0.1 2,-0.7 0.365 97.1 93.0-108.4 6.5 100.8 -6.5 39.9 5 25 A I E < -A 564 0A 29 -3,-0.8 559,-0.2 559,-0.2 3,-0.1 -0.903 53.9-173.3 -92.2 110.9 97.7 -4.2 39.4 6 26 A L E - 0 0 120 557,-2.9 2,-0.2 -2,-0.7 558,-0.2 0.738 60.1 -50.3 -78.9 -24.7 94.7 -6.0 41.1 7 27 A G E -A 563 0A 27 556,-1.0 556,-2.3 2,-0.0 2,-0.4 -0.905 44.1-110.1 169.5 169.7 92.2 -3.5 39.7 8 28 A Y E -A 562 0A 83 -2,-0.2 554,-0.2 554,-0.2 -3,-0.0 -0.984 26.5-160.7-119.6 133.8 91.1 0.2 39.2 9 29 A D E -A 561 0A 89 552,-2.9 552,-2.7 -2,-0.4 2,-0.1 -0.878 30.3 -98.0-113.7 148.7 88.2 1.6 41.2 10 30 A P - 0 0 103 0, 0.0 2,-0.4 0, 0.0 105,-0.2 -0.358 36.2-159.1 -70.6 147.8 86.3 4.7 40.0 11 31 A L - 0 0 29 548,-0.4 2,-0.2 -2,-0.1 548,-0.0 -0.951 20.1-117.3-128.0 135.1 87.1 8.0 41.6 12 32 A A - 0 0 20 -2,-0.4 199,-0.1 1,-0.1 106,-0.0 -0.524 40.5-114.8 -60.9 142.7 85.1 11.3 41.8 13 33 A S > - 0 0 29 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.381 20.7-113.0 -76.3 158.5 86.9 14.1 39.9 14 34 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.935 118.5 51.6 -54.6 -48.3 88.2 17.1 41.9 15 35 A A H > S+ 0 0 24 194,-2.7 4,-1.6 1,-0.2 5,-0.2 0.902 108.6 52.1 -57.9 -38.3 85.7 19.4 40.2 16 36 A L H > S+ 0 0 77 193,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.920 111.4 44.9 -69.3 -41.0 82.9 17.0 41.1 17 37 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.845 108.1 58.4 -69.9 -33.2 83.8 17.0 44.8 18 38 A Q H < S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.846 111.0 42.7 -61.7 -32.6 84.3 20.7 44.8 19 39 A V H < S+ 0 0 117 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.888 114.9 49.0 -79.9 -41.9 80.6 21.1 43.7 20 40 A Q H < S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.820 124.4 30.4 -68.5 -33.4 79.3 18.4 46.0 21 41 A I S < S- 0 0 14 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 -0.731 88.5-167.2-127.5 78.9 81.2 19.9 49.0 22 42 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.335 21.0-119.2 -70.7 144.8 81.3 23.6 48.3 23 43 A A - 0 0 21 -5,-0.2 103,-0.0 1,-0.0 100,-0.0 -0.648 29.2-126.2 -73.6 139.7 83.6 26.0 50.3 24 44 A T > - 0 0 44 -2,-0.3 4,-2.0 102,-0.1 5,-0.2 -0.488 25.8-107.1 -75.6 158.2 81.6 28.8 52.1 25 45 A P H > S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.841 124.7 52.9 -48.6 -40.0 82.6 32.5 51.5 26 46 A T H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.905 106.1 52.5 -64.3 -42.5 84.1 32.4 55.0 27 47 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 112.5 44.8 -54.1 -49.8 86.2 29.2 54.2 28 48 A L H X S+ 0 0 60 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.857 113.4 48.8 -69.4 -36.8 87.7 30.9 51.1 29 49 A E H X S+ 0 0 87 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.2 0.906 111.4 51.3 -70.4 -37.9 88.4 34.2 52.7 30 50 A T H X S+ 0 0 7 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.906 109.0 49.5 -64.2 -44.0 90.1 32.4 55.6 31 51 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.928 114.1 45.8 -63.2 -43.9 92.3 30.3 53.3 32 52 A K H X S+ 0 0 112 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.887 113.4 49.4 -66.3 -39.4 93.3 33.5 51.4 33 53 A R H X S+ 0 0 66 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.924 108.3 53.5 -62.7 -42.6 93.9 35.4 54.7 34 54 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.884 110.0 47.9 -61.4 -39.5 96.0 32.5 56.0 35 55 A R H X S+ 0 0 42 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.936 111.0 50.8 -68.3 -46.3 98.2 32.6 52.9 36 56 A R H X S+ 0 0 126 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.958 112.7 44.9 -53.1 -55.4 98.7 36.4 53.1 37 57 A E H X S+ 0 0 38 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.937 115.1 48.3 -57.9 -44.1 99.7 36.4 56.7 38 58 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.937 112.3 48.2 -65.9 -45.8 102.1 33.4 56.2 39 59 A I H X S+ 0 0 42 -4,-3.0 4,-2.0 1,-0.2 6,-0.3 0.940 111.8 51.3 -52.3 -50.9 103.7 35.1 53.1 40 60 A D H <>S+ 0 0 45 -4,-3.0 6,-1.9 -5,-0.2 5,-1.8 0.852 113.0 45.0 -59.6 -36.8 104.1 38.3 55.1 41 61 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.952 114.4 44.9 -77.0 -46.8 105.8 36.5 57.9 42 62 A I H 3<5S+ 0 0 3 -4,-3.1 213,-2.4 1,-0.3 -2,-0.2 0.744 113.5 51.4 -71.7 -18.4 108.2 34.3 55.9 43 63 A T T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.265 116.5-112.4 -98.5 8.0 109.2 37.2 53.6 44 64 A G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 2,-0.2 -4,-0.1 0.586 85.2 117.3 82.6 11.5 110.0 39.5 56.6 45 65 A K S - 0 0 45 1,-0.1 4,-2.6 2,-0.0 -1,-0.2 -0.894 60.6-160.2-146.3 108.7 88.2 12.1 63.8 61 81 A L H > S+ 0 0 43 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.802 93.1 49.7 -58.1 -34.7 86.3 15.1 62.4 62 82 A E H > S+ 0 0 154 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 112.0 45.6 -79.8 -41.9 84.5 15.9 65.7 63 83 A A H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.906 112.3 54.1 -61.3 -41.1 87.6 15.9 67.8 64 84 A A H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.905 107.7 50.3 -60.9 -37.8 89.3 17.9 65.1 65 85 A Q H X S+ 0 0 43 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.898 110.7 48.3 -64.4 -42.0 86.4 20.5 65.3 66 86 A E H X S+ 0 0 55 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.979 111.9 49.0 -65.4 -50.3 86.8 20.7 69.2 67 87 A Y H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.938 111.1 51.9 -49.6 -49.1 90.6 21.2 68.9 68 88 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.2 0.884 105.8 53.7 -56.3 -42.6 89.9 23.9 66.2 69 89 A L H X S+ 0 0 96 -4,-2.2 4,-2.4 -3,-0.2 -1,-0.2 0.927 112.3 43.7 -59.2 -45.1 87.5 25.8 68.5 70 90 A R H X S+ 0 0 74 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.914 115.2 50.0 -68.0 -43.6 90.0 26.0 71.3 71 91 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.922 110.0 48.9 -60.7 -46.9 92.8 26.9 68.8 72 92 A K H X S+ 0 0 44 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.952 110.1 52.1 -58.5 -47.6 90.7 29.7 67.2 73 93 A K H X S+ 0 0 168 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.961 113.2 44.2 -55.4 -45.7 89.9 31.1 70.6 74 94 A L H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 110.6 54.7 -63.2 -40.6 93.6 31.1 71.5 75 95 A S H X S+ 0 0 15 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.906 104.3 54.4 -62.8 -41.2 94.5 32.6 68.1 76 96 A D H < S+ 0 0 87 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.903 111.2 46.7 -58.8 -37.5 92.1 35.5 68.7 77 97 A E H < S+ 0 0 122 -4,-1.5 3,-0.3 -5,-0.2 -2,-0.2 0.852 121.7 33.8 -68.3 -38.0 94.0 36.2 72.0 78 98 A L H >X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 3,-2.0 0.287 79.5 113.2-108.0 11.5 97.5 36.0 70.6 79 99 A K T 3< + 0 0 136 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.641 68.3 67.0 -64.0 -20.1 97.0 37.5 67.1 80 100 A G T 34 S+ 0 0 48 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.751 121.6 18.3 -64.3 -22.0 99.1 40.6 67.8 81 101 A D T <4 S+ 0 0 15 -3,-2.0 -32,-1.7 1,-0.3 2,-0.4 0.615 124.1 44.8-124.2 -29.9 102.1 38.3 68.1 82 102 A L E < -c 49 0B 0 -4,-2.3 2,-0.6 -34,-0.2 -1,-0.3 -0.988 53.8-153.9-132.4 138.5 101.3 35.0 66.4 83 103 A S E -c 50 0B 2 -34,-2.8 -32,-2.8 -2,-0.4 2,-0.4 -0.954 29.8-157.8-109.9 116.1 99.7 34.0 63.1 84 104 A I E -c 51 0B 3 -2,-0.6 2,-0.4 -34,-0.2 -32,-0.2 -0.788 18.2-179.2-111.9 134.7 98.3 30.5 63.8 85 105 A I E -c 52 0B 0 -34,-2.8 -32,-2.4 -2,-0.4 2,-0.3 -0.999 27.5-124.9-129.1 131.4 97.5 27.8 61.2 86 106 A M E -ce 53 135B 0 48,-2.5 50,-2.3 -2,-0.4 2,-0.6 -0.563 16.2-126.3 -77.4 136.3 96.1 24.4 62.3 87 107 A R E + e 0 136B 0 -34,-1.8 2,-0.3 -2,-0.3 50,-0.2 -0.698 33.9 169.7 -76.1 119.0 97.7 21.2 61.2 88 108 A A - 0 0 0 48,-3.2 2,-0.4 -2,-0.6 -32,-0.1 -0.701 16.4-172.2-125.5 75.4 95.0 19.1 59.6 89 109 A Y + 0 0 3 -34,-0.4 -31,-2.1 -2,-0.3 13,-0.3 -0.641 18.1 172.0 -88.2 124.1 97.2 16.4 58.1 90 110 A L + 0 0 3 -2,-0.4 13,-1.4 48,-0.3 14,-0.5 0.455 63.3 52.2-101.3 -14.5 95.5 14.0 55.8 91 111 A E - 0 0 14 10,-0.2 10,-0.3 47,-0.1 47,-0.2 -0.995 63.0-165.4-142.9 122.7 98.4 11.9 54.5 92 112 A K - 0 0 16 8,-3.3 2,-0.4 -2,-0.4 -35,-0.0 -0.943 13.6-142.2-124.5 119.9 101.0 10.2 56.5 93 113 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.676 24.6-148.6 -79.6 131.8 104.3 8.9 55.2 94 114 A R - 0 0 72 -2,-0.4 4,-0.1 2,-0.2 449,-0.0 -0.665 21.6-129.4-103.3 155.0 105.2 5.6 56.9 95 115 A T S S- 0 0 78 2,-0.3 448,-0.2 -2,-0.2 -1,-0.1 0.923 100.3 -28.4 -65.2 -46.4 108.6 4.1 57.7 96 116 A T S S- 0 0 45 1,-0.5 -2,-0.2 446,-0.1 2,-0.2 0.360 121.4 -25.3-126.6 -80.0 107.4 0.9 56.0 97 117 A V S S+ 0 0 50 -4,-0.1 -1,-0.5 2,-0.0 -2,-0.3 -0.715 73.2 112.2-129.5 179.9 103.6 0.4 56.2 98 118 A G S S- 0 0 43 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.1 -0.794 75.0 -26.2 135.9 171.9 100.8 1.5 58.5 99 119 A W - 0 0 18 -2,-0.2 3,-0.1 218,-0.1 -2,-0.0 -0.420 49.7-162.6 -59.4 125.5 97.8 3.8 58.4 100 120 A K - 0 0 17 1,-0.3 -8,-3.3 -2,-0.1 2,-0.2 0.443 48.2 -95.5 -91.5 -4.6 98.4 6.5 55.7 101 121 A G > - 0 0 0 -10,-0.3 4,-2.0 4,-0.2 -1,-0.3 -0.611 52.3 -43.6 124.0-176.1 95.7 8.9 56.9 102 122 A L T 4 S+ 0 0 4 -44,-0.5 -1,-0.1 -13,-0.3 18,-0.1 0.825 126.7 49.7 -58.0 -42.3 92.1 10.0 56.5 103 123 A I T 4 S+ 0 0 7 -13,-1.4 14,-0.4 1,-0.2 15,-0.3 0.972 114.7 43.3 -61.9 -51.1 92.1 10.1 52.7 104 124 A N T 4 S- 0 0 18 -14,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.808 139.2 -0.4 -68.1 -36.2 93.6 6.6 52.2 105 125 A D >< + 0 0 4 -4,-2.0 3,-2.3 7,-0.2 -1,-0.2 -0.363 64.3 174.2-157.4 71.3 91.5 4.8 54.8 106 126 A P T 3 S+ 0 0 13 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.708 82.2 54.6 -61.7 -26.5 89.1 7.0 56.7 107 127 A D T 3 S- 0 0 67 -5,-0.1 -5,-0.1 6,-0.0 -48,-0.0 0.469 99.6-137.7 -83.4 -7.0 87.5 4.1 58.6 108 128 A V S < S+ 0 0 26 -3,-2.3 -9,-0.1 -7,-0.2 -6,-0.0 0.869 77.7 99.0 55.8 45.1 90.9 3.1 59.9 109 129 A N S S- 0 0 87 -4,-0.1 -1,-0.1 197,-0.0 -4,-0.0 0.024 102.0 -94.3-151.4 28.1 90.2 -0.6 59.4 110 130 A N S S+ 0 0 120 -5,-0.2 -5,-0.1 1,-0.1 -11,-0.0 0.818 89.9 119.9 58.9 38.1 91.9 -1.4 56.1 111 131 A T - 0 0 75 2,-0.0 3,-0.2 -6,-0.0 -1,-0.1 0.553 58.6-152.0-102.6 -14.1 88.9 -0.9 53.8 112 132 A F + 0 0 49 1,-0.2 2,-1.9 2,-0.1 3,-0.2 0.809 21.0 177.1 56.2 43.2 90.6 1.9 51.9 113 133 A N > + 0 0 72 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.564 3.2 173.5 -82.7 82.2 87.4 3.7 50.9 114 134 A I H > S+ 0 0 3 -2,-1.9 4,-2.7 1,-0.2 5,-0.2 0.868 71.6 56.6 -68.4 -38.0 89.3 6.6 49.2 115 135 A N H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 111.4 44.0 -55.5 -44.5 86.2 8.3 47.8 116 136 A K H > S+ 0 0 79 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.883 111.6 55.1 -68.6 -33.7 84.8 8.6 51.3 117 137 A G H X S+ 0 0 0 -4,-2.1 4,-3.4 -14,-0.4 -2,-0.2 0.921 108.6 47.2 -62.1 -42.6 88.3 9.7 52.5 118 138 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -15,-0.3 5,-0.2 0.899 113.8 48.1 -67.1 -41.4 88.3 12.5 50.0 119 139 A Q H X S+ 0 0 95 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.929 113.8 46.3 -65.7 -44.6 84.8 13.5 51.0 120 140 A S H X S+ 0 0 26 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.933 113.0 51.2 -60.0 -44.4 85.7 13.4 54.7 121 141 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 -5,-0.2 -2,-0.2 0.918 113.6 42.3 -57.2 -47.0 88.9 15.4 54.0 122 142 A R H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.943 114.3 50.8 -71.7 -42.3 87.2 18.1 52.1 123 143 A Q H X S+ 0 0 76 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.935 112.2 48.8 -57.6 -45.6 84.2 18.3 54.5 124 144 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.936 110.0 50.3 -56.3 -47.6 86.8 18.6 57.3 125 145 A F H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.888 112.8 47.1 -65.7 -34.9 88.7 21.3 55.5 126 146 A V H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.950 110.7 52.4 -68.9 -46.9 85.5 23.3 55.0 127 147 A N H X S+ 0 0 50 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.909 113.6 43.0 -53.7 -50.6 84.4 22.8 58.6 128 148 A L H ><>S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 5,-1.2 0.965 117.4 42.9 -63.2 -48.8 87.8 24.1 60.0 129 149 A T H ><5S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 -1,-0.2 0.754 101.5 71.3 -72.5 -27.5 88.2 27.1 57.7 130 150 A N H 3<5S+ 0 0 74 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.716 94.0 54.9 -65.1 -16.8 84.6 28.0 58.1 131 151 A I T <<5S- 0 0 47 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.423 125.7-102.1 -90.4 4.5 85.3 29.1 61.7 132 152 A G T < 5S+ 0 0 9 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.668 83.2 130.6 87.2 13.5 88.0 31.5 60.4 133 153 A L < - 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