==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-SEP-08 3EOZ . COMPND 2 MOLECULE: PUTATIVE PHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,W.TEMPEL,A.LAM,Y.ZHAO,J.LEW,Y.H.LIN,G.WASNEY,M . 334 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 12.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 1 0 0 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 2 0 1 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 1 1 2 1 1 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 0 0 1 0 1 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 19 A N 0 0 121 0, 0.0 2,-0.1 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 178.9 21.3 29.0 29.2 2 20 A T - 0 0 13 89,-0.2 136,-1.6 87,-0.1 2,-0.4 -0.418 360.0-171.5 -78.4 139.8 24.9 27.7 29.1 3 21 A T E -A 137 0A 24 134,-0.2 92,-2.0 -2,-0.1 2,-0.4 -0.982 21.6-149.5-138.3 142.9 25.9 25.1 26.4 4 22 A K E -Ab 136 95A 0 132,-3.3 132,-3.1 -2,-0.4 2,-0.6 -0.928 15.3-152.8-105.2 134.6 28.7 22.8 25.5 5 23 A H E -Ab 135 96A 8 90,-2.4 92,-2.7 -2,-0.4 2,-0.8 -0.937 6.7-168.4-111.6 110.6 29.3 22.0 21.8 6 24 A I E -Ab 134 97A 0 128,-2.6 128,-2.2 -2,-0.6 2,-0.9 -0.863 7.3-166.5-102.6 98.6 30.9 18.7 21.1 7 25 A I E -Ab 133 98A 0 90,-2.8 92,-2.3 -2,-0.8 2,-0.4 -0.780 6.3-154.8 -94.0 104.2 31.8 18.7 17.5 8 26 A L E -Ab 132 99A 0 124,-2.7 124,-2.2 -2,-0.9 2,-0.5 -0.680 9.0-163.8 -81.7 126.3 32.7 15.2 16.4 9 27 A V E -Ab 131 100A 3 90,-2.8 92,-2.3 -2,-0.4 2,-0.3 -0.957 8.9-144.3-118.2 115.8 35.1 15.2 13.4 10 28 A R E - b 0 101A 39 120,-2.0 92,-0.2 -2,-0.5 90,-0.1 -0.591 9.9-168.0 -75.7 133.2 35.5 12.0 11.4 11 29 A H 0 0 24 90,-1.4 -1,-0.1 -2,-0.3 91,-0.1 0.594 360.0 360.0 -91.6 -16.6 39.1 11.4 9.9 12 30 A G 0 0 63 89,-0.4 89,-0.0 118,-0.1 -2,-0.0 0.290 360.0 360.0 -56.3 360.0 37.8 8.5 7.7 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 46 A T > 0 0 104 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 149.1 46.9 10.9 2.1 15 47 A K H > + 0 0 179 2,-0.2 4,-1.7 1,-0.2 5,-0.0 0.865 360.0 40.2 -58.0 -41.6 47.7 14.1 0.1 16 48 A E H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.820 111.3 58.9 -74.8 -34.8 44.0 14.5 -0.7 17 49 A G H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.933 106.9 48.2 -53.6 -45.9 43.2 13.3 2.8 18 50 A C H X S+ 0 0 45 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.916 107.1 54.5 -63.1 -46.4 45.3 16.3 4.0 19 51 A K H X S+ 0 0 113 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.892 110.6 47.3 -51.8 -41.5 43.5 18.7 1.7 20 52 A Q H X S+ 0 0 80 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.892 107.6 52.5 -77.1 -41.5 40.1 17.7 3.1 21 53 A A H X S+ 0 0 10 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.934 111.8 50.5 -51.7 -44.2 41.1 17.9 6.8 22 54 A D H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.868 110.2 47.2 -65.5 -40.5 42.3 21.4 5.9 23 55 A I H X S+ 0 0 47 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.892 112.2 50.4 -69.4 -40.6 39.0 22.4 4.2 24 56 A T H X S+ 0 0 37 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.949 109.0 52.8 -55.9 -48.0 37.0 21.0 7.1 25 57 A G H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.916 111.8 45.3 -52.7 -48.5 39.3 23.1 9.4 26 58 A K H X S+ 0 0 105 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.875 111.9 52.1 -61.3 -42.4 38.4 26.1 7.3 27 59 A K H X S+ 0 0 80 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 108.0 49.5 -67.2 -43.7 34.7 25.3 7.3 28 60 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.857 111.4 52.3 -59.8 -34.2 34.5 24.9 11.1 29 61 A K H X S+ 0 0 70 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.879 103.3 55.1 -73.5 -40.5 36.3 28.3 11.3 30 62 A D H < S+ 0 0 128 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.942 118.3 37.3 -53.0 -44.6 33.8 30.0 9.0 31 63 A I H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 4,-0.2 0.957 119.4 43.6 -75.5 -52.2 31.1 28.8 11.4 32 64 A L H >< S+ 0 0 2 -4,-3.2 3,-2.0 1,-0.2 -3,-0.2 0.776 82.8 155.6 -67.8 -26.1 32.8 29.2 14.8 33 65 A N T 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 -0.082 70.6 10.7 51.1-124.6 34.1 32.6 13.6 34 66 A N T 3 S+ 0 0 111 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.878 107.7 106.6 -35.1 -52.7 34.8 34.6 16.8 35 67 A K < - 0 0 81 -3,-2.0 2,-0.5 -4,-0.2 -3,-0.0 0.154 66.6-126.3 -56.2 155.3 34.3 31.7 19.2 36 68 A K - 0 0 117 25,-0.0 2,-0.7 23,-0.0 60,-0.6 -0.829 6.9-150.9 -99.7 126.5 37.1 29.9 21.0 37 69 A V E -c 96 0A 0 -2,-0.5 60,-0.2 1,-0.2 3,-0.1 -0.891 10.7-163.8 -90.6 121.4 37.6 26.1 20.8 38 70 A S E + 0 0 27 58,-1.6 25,-2.7 -2,-0.7 2,-0.3 0.855 65.2 8.2 -73.6 -32.7 39.2 25.3 24.1 39 71 A V E -cd 97 63A 8 57,-0.7 59,-2.2 23,-0.3 2,-0.6 -1.000 49.8-150.9-158.2 142.9 40.4 21.9 23.1 40 72 A I E -cd 98 64A 0 23,-3.0 25,-1.9 -2,-0.3 59,-0.2 -0.923 25.8-164.7-117.3 100.1 40.8 19.5 20.3 41 73 A Y E +cd 99 65A 43 57,-3.2 59,-2.8 -2,-0.6 2,-0.3 -0.515 13.3 172.2 -79.3 152.0 40.6 15.9 21.5 42 74 A H E -cd 100 66A 11 23,-1.8 25,-3.6 57,-0.2 28,-0.2 -0.992 30.1-106.6-157.6 159.8 41.8 13.0 19.4 43 75 A S - 0 0 0 57,-1.1 6,-0.1 -2,-0.3 26,-0.1 -0.203 38.3-106.2 -77.2 175.7 42.4 9.3 19.4 44 76 A D S S+ 0 0 67 23,-0.3 -1,-0.1 24,-0.1 5,-0.0 0.655 82.9 116.4 -79.9 -15.6 45.9 7.7 19.4 45 77 A X S > S- 0 0 66 1,-0.1 4,-1.9 2,-0.1 5,-0.2 -0.155 73.8-125.0 -54.2 146.9 45.5 6.7 15.7 46 78 A I H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 109.6 50.6 -59.8 -47.6 47.9 8.3 13.3 47 79 A R H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.823 108.0 52.9 -63.4 -36.1 45.1 9.7 11.0 48 80 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.938 112.2 44.9 -62.1 -49.2 43.3 11.3 14.0 49 81 A K H X S+ 0 0 66 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.900 113.3 50.8 -60.4 -44.5 46.5 13.1 15.1 50 82 A E H X S+ 0 0 84 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.949 113.9 44.2 -58.7 -49.1 47.2 14.1 11.5 51 83 A T H X S+ 0 0 16 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.924 112.8 51.1 -62.6 -49.2 43.7 15.5 11.2 52 84 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.929 111.2 49.6 -50.6 -50.8 43.9 17.2 14.6 53 85 A N H X S+ 0 0 95 -4,-3.3 4,-0.6 1,-0.2 -2,-0.2 0.933 111.9 46.5 -59.3 -47.7 47.2 18.8 13.6 54 86 A I H >< S+ 0 0 29 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.925 116.5 44.4 -60.6 -43.0 45.9 20.1 10.2 55 87 A I H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.2 4,-0.4 0.912 98.9 70.6 -72.1 -40.5 42.7 21.5 11.8 56 88 A S H >< S+ 0 0 23 -4,-2.9 3,-0.8 1,-0.3 6,-0.3 0.623 78.9 81.4 -51.8 -19.6 44.4 23.1 14.8 57 89 A K T << S+ 0 0 112 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.797 94.6 44.6 -50.7 -36.6 45.9 25.7 12.4 58 90 A Y T < S+ 0 0 54 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.563 118.3 45.0 -90.8 -6.8 42.6 27.6 12.6 59 91 A F X + 0 0 3 -3,-0.8 3,-2.0 -4,-0.4 -1,-0.2 -0.531 65.6 160.5-132.0 63.3 42.5 27.1 16.4 60 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.799 75.9 52.2 -57.2 -33.1 46.0 28.0 17.6 61 93 A D T 3 S+ 0 0 94 -3,-0.1 2,-0.3 2,-0.1 -25,-0.0 0.356 86.4 107.4 -86.0 2.1 44.9 28.6 21.1 62 94 A A S < S- 0 0 12 -3,-2.0 2,-0.3 -6,-0.3 -23,-0.3 -0.609 72.5-123.2 -78.8 140.2 43.1 25.3 21.4 63 95 A N E -d 39 0A 114 -25,-2.7 -23,-3.0 -2,-0.3 2,-0.6 -0.651 19.8-138.5 -80.6 143.3 44.7 22.7 23.6 64 96 A L E -d 40 0A 68 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.907 22.9-174.9-108.8 119.0 45.4 19.4 21.9 65 97 A I E -d 41 0A 72 -25,-1.9 -23,-1.8 -2,-0.6 2,-0.6 -0.966 15.9-149.7-123.0 127.9 44.7 16.3 23.9 66 98 A N E -d 42 0A 60 -2,-0.5 -23,-0.2 -25,-0.2 -22,-0.1 -0.840 14.7-176.8 -93.7 121.4 45.3 12.7 23.0 67 99 A D > - 0 0 20 -25,-3.6 3,-1.8 -2,-0.6 4,-0.3 -0.913 14.0-167.0-119.9 104.6 42.9 10.3 24.4 68 100 A P G > S+ 0 0 67 0, 0.0 3,-1.0 0, 0.0 -24,-0.1 0.680 83.9 75.1 -65.2 -14.9 43.7 6.6 23.6 69 101 A N G 3 S+ 0 0 56 1,-0.2 12,-0.2 -26,-0.1 -26,-0.1 0.787 85.1 64.2 -62.3 -28.7 40.2 5.7 24.9 70 102 A L G < S+ 0 0 0 -3,-1.8 32,-0.4 -28,-0.2 -1,-0.2 0.703 73.7 124.6 -67.5 -20.5 38.8 7.2 21.6 71 103 A N < - 0 0 60 -3,-1.0 30,-0.0 -4,-0.3 2,-0.0 -0.121 64.5-113.2 -44.6 131.9 40.6 4.4 19.7 72 104 A E + 0 0 65 2,-0.0 2,-0.2 6,-0.0 -1,-0.1 -0.264 41.6 159.3 -80.1 152.7 38.1 2.6 17.5 73 105 A G 0 0 43 29,-0.1 31,-0.1 -2,-0.0 32,-0.1 -0.734 360.0 360.0-134.3-168.4 36.6 -0.9 17.5 74 106 A T 0 0 170 -2,-0.2 -2,-0.0 30,-0.1 -1,-0.0 0.578 360.0 360.0 76.9 360.0 33.4 -2.4 16.0 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 129 A K 0 0 126 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 39.4 33.3 -1.1 26.1 77 130 A R >> + 0 0 63 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.465 360.0 80.2 -81.7 -11.3 36.2 1.1 27.3 78 131 A I H 3> S+ 0 0 39 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.748 78.8 66.7 -62.2 -28.0 34.5 3.5 24.9 79 132 A N H 3> S+ 0 0 55 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.871 95.5 55.5 -60.5 -38.2 32.0 4.2 27.8 80 133 A K H <> S+ 0 0 135 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.975 111.6 44.1 -53.9 -54.7 35.0 5.7 29.7 81 134 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 5,-0.2 0.923 114.8 46.3 -59.0 -52.0 35.4 8.1 26.7 82 135 A Y H >X S+ 0 0 32 -4,-3.2 4,-3.0 1,-0.2 3,-0.8 0.977 111.9 52.2 -53.7 -55.8 31.7 8.9 26.2 83 136 A E H 3< S+ 0 0 123 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.5 53.7 -48.4 -40.7 31.4 9.5 29.9 84 137 A T H 3< S+ 0 0 64 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.3 0.860 118.7 29.3 -62.4 -43.3 34.3 11.9 29.8 85 138 A Y H << S+ 0 0 2 -4,-1.7 2,-0.4 -3,-0.8 -2,-0.2 0.792 111.8 61.3 -93.2 -30.0 33.0 14.1 27.0 86 139 A F < + 0 0 18 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 -0.216 69.6 122.7-103.2 46.2 29.3 14.0 27.4 87 140 A Y S S- 0 0 135 -2,-0.4 49,-0.1 -3,-0.3 53,-0.0 -0.802 72.3 -95.1-100.7 146.0 28.8 15.4 30.9 88 141 A K - 0 0 45 -2,-0.3 50,-0.1 1,-0.1 2,-0.1 -0.286 41.2-121.0 -59.0 140.3 26.6 18.4 31.4 89 142 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 51,-0.2 -0.455 27.5-160.8 -75.9 159.2 28.5 21.7 31.5 90 143 A S + 0 0 109 -2,-0.1 3,-0.4 3,-0.1 2,-0.1 -0.829 46.0 42.0-130.5 174.0 28.3 24.0 34.5 91 144 A G S S- 0 0 59 -2,-0.3 -89,-0.2 1,-0.2 47,-0.1 -0.281 93.4 -74.1 80.6-171.7 29.0 27.7 35.1 92 145 A D S S+ 0 0 84 2,-0.1 2,-0.5 -91,-0.1 -1,-0.2 0.079 95.1 94.1-117.7 21.8 28.1 30.6 32.9 93 146 A E - 0 0 77 -3,-0.4 -3,-0.1 -91,-0.0 -91,-0.0 -0.975 68.2-130.4-118.3 124.3 30.6 30.3 29.9 94 147 A D - 0 0 82 -2,-0.5 2,-0.3 -92,-0.1 -90,-0.2 -0.345 25.3-153.2 -63.2 151.2 29.7 28.5 26.7 95 148 A E E -b 4 0A 63 -92,-2.0 -90,-2.4 -60,-0.0 2,-0.4 -0.982 13.1-165.0-134.8 146.4 32.3 26.0 25.5 96 149 A Y E +bc 5 37A 24 -60,-0.6 -58,-1.6 -2,-0.3 -57,-0.7 -0.985 16.4 171.4-129.6 117.0 33.3 24.5 22.1 97 150 A Q E -bc 6 39A 3 -92,-2.7 -90,-2.8 -2,-0.4 2,-0.4 -0.953 23.3-139.7-130.3 158.4 35.4 21.5 21.6 98 151 A L E -bc 7 40A 0 -59,-2.2 -57,-3.2 -2,-0.3 2,-0.4 -0.864 9.7-168.0-110.1 137.9 36.5 19.2 18.8 99 152 A V E -bc 8 41A 0 -92,-2.3 -90,-2.8 -2,-0.4 2,-0.6 -0.936 8.7-161.1-129.5 108.3 36.7 15.4 19.1 100 153 A I E +bc 9 42A 0 -59,-2.8 -57,-1.1 -2,-0.4 2,-0.2 -0.789 35.8 119.8 -96.9 119.4 38.5 13.8 16.2 101 154 A C E -b 10 0A 0 -92,-2.3 -90,-1.4 -2,-0.6 -89,-0.4 -0.870 55.7 -58.0-161.8-172.2 37.8 10.1 15.8 102 155 A H >> - 0 0 55 -32,-0.4 4,-2.4 -2,-0.2 3,-0.6 -0.561 43.6-113.5 -90.0 153.8 36.5 7.2 13.9 103 156 A G H 3> S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.843 113.7 56.2 -49.3 -48.3 33.0 6.7 12.4 104 157 A N H 3> S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.878 111.4 44.1 -53.9 -41.4 32.1 3.7 14.7 105 158 A V H <> S+ 0 0 0 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.903 112.9 52.3 -72.7 -39.1 32.9 5.9 17.8 106 159 A I H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.942 110.3 47.5 -59.5 -50.3 30.9 8.8 16.3 107 160 A R H X S+ 0 0 47 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.833 112.4 49.8 -62.2 -34.9 27.9 6.7 15.6 108 161 A Y H X S+ 0 0 77 -4,-1.6 4,-2.8 -5,-0.2 5,-0.3 0.953 112.7 45.8 -67.7 -49.0 28.0 5.3 19.1 109 162 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.887 112.2 53.3 -59.9 -41.3 28.3 8.8 20.7 110 163 A L H X S+ 0 0 0 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.913 113.2 41.5 -58.7 -48.7 25.5 10.0 18.4 111 164 A C H X>S+ 0 0 22 -4,-2.1 5,-2.6 2,-0.2 4,-0.5 0.921 118.7 45.0 -68.6 -43.2 23.1 7.2 19.5 112 165 A R H ><5S+ 0 0 92 -4,-2.8 3,-0.8 3,-0.2 -2,-0.2 0.945 114.4 46.9 -66.2 -47.8 24.0 7.4 23.1 113 166 A A H 3<5S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 29,-0.2 0.840 120.9 38.3 -64.0 -36.9 23.9 11.2 23.4 114 167 A L H 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.399 108.3-126.3 -93.8 0.1 20.5 11.4 21.6 115 168 A Q T <<5 - 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