==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JAN-13 4IQE . COMPND 2 MOLECULE: CARBOXYVINYL-CARBOXYPHOSPHONATE PHOSPHORYLMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.KIM,N.MALTSEVA,K KWON,W.F.ANDERSON,A.JOACHIMIAK,CSGID,CENT . 577 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 0 0.0 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 . 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 2 3 1 0 4 0 3 4 3 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 4 A V 0 0 142 0, 0.0 2,-0.9 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 9.4 39.8 -54.3 26.1 2 5 A V 0 0 33 1,-0.0 279,-0.1 275,-0.0 278,-0.0 -0.834 360.0 360.0-100.1 99.7 42.5 -55.7 23.8 3 6 A N 0 0 163 -2,-0.9 -1,-0.0 2,-0.1 0, 0.0 -0.124 360.0 360.0 51.6 360.0 43.7 -59.0 25.2 4 ! 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 5 8 A Q 0 0 153 0, 0.0 -2,-0.1 0, 0.0 75,-0.0 0.000 360.0 360.0 360.0 -93.9 43.5 -60.1 31.4 6 9 A S - 0 0 23 77,-0.1 2,-0.1 1,-0.1 77,-0.0 -0.204 360.0-123.3 -63.9 151.6 44.3 -61.4 34.8 7 10 A T > - 0 0 76 1,-0.1 4,-2.0 76,-0.0 5,-0.2 -0.249 30.6 -94.8 -86.6-179.9 41.6 -62.3 37.4 8 11 A Q H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.942 124.7 42.9 -63.3 -51.3 41.2 -60.9 40.9 9 12 A E H > S+ 0 0 113 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.857 113.1 53.6 -66.0 -35.3 43.0 -63.8 42.7 10 13 A E H > S+ 0 0 108 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.866 113.6 43.2 -64.2 -36.3 45.7 -63.7 40.0 11 14 A L H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.818 114.8 50.6 -75.6 -33.0 46.1 -60.0 40.7 12 15 A A H X S+ 0 0 5 -4,-2.6 4,-1.9 2,-0.2 3,-0.2 0.917 112.1 45.1 -70.2 -45.3 45.8 -60.7 44.5 13 16 A N H X S+ 0 0 87 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.766 110.1 56.2 -69.0 -25.9 48.5 -63.4 44.4 14 17 A R H X S+ 0 0 87 -4,-1.0 4,-0.7 -5,-0.2 -1,-0.2 0.784 108.4 49.0 -73.0 -27.2 50.6 -61.1 42.2 15 18 A F H X S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.2 -2,-0.2 0.871 108.5 50.9 -79.4 -40.1 50.4 -58.5 44.9 16 19 A R H X S+ 0 0 84 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.912 107.8 52.6 -64.4 -43.9 51.4 -60.8 47.8 17 20 A A H X S+ 0 0 54 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.805 106.7 54.2 -63.2 -30.9 54.5 -62.0 46.0 18 21 A L H < S+ 0 0 34 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.865 112.3 43.3 -69.8 -37.5 55.5 -58.4 45.4 19 22 A V H < S+ 0 0 1 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 113.9 50.2 -72.2 -42.6 55.2 -57.8 49.2 20 23 A E H < S+ 0 0 129 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.674 94.5 104.5 -68.3 -17.4 57.0 -61.1 50.0 21 24 A A S < S- 0 0 35 -4,-0.8 4,-0.1 -5,-0.2 -3,-0.1 -0.136 83.7-114.1 -64.3 161.7 59.7 -60.1 47.6 22 25 A N S S+ 0 0 177 2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.954 94.6 66.9 -61.5 -55.2 63.1 -58.9 48.7 23 26 A E S S- 0 0 147 1,-0.1 2,-0.1 208,-0.0 -2,-0.1 -0.307 96.2 -97.5 -71.1 152.8 62.9 -55.3 47.4 24 27 A I - 0 0 19 1,-0.1 2,-0.9 197,-0.1 207,-0.2 -0.424 35.4-119.1 -71.9 143.1 60.4 -52.8 48.8 25 28 A L E -a 231 0A 9 205,-1.6 207,-2.8 -2,-0.1 2,-0.6 -0.740 21.1-154.2 -90.9 102.8 57.1 -52.4 46.9 26 29 A Q E -a 232 0A 30 -2,-0.9 20,-0.6 205,-0.2 19,-0.4 -0.654 13.0-170.5 -75.4 118.8 56.7 -48.8 45.7 27 30 A I E -a 233 0A 0 205,-3.9 207,-2.1 -2,-0.6 2,-0.3 -0.871 2.0-165.0-119.3 99.4 53.0 -48.1 45.4 28 31 A P E -a 234 0A 0 0, 0.0 20,-1.3 0, 0.0 2,-0.3 -0.643 18.7-126.0 -85.8 137.2 52.1 -44.9 43.6 29 32 A G B -c 48 0B 0 205,-2.3 2,-0.4 -2,-0.3 209,-0.4 -0.589 21.9-169.7 -81.6 140.5 48.5 -43.6 43.9 30 33 A A - 0 0 1 18,-2.7 6,-0.1 -2,-0.3 206,-0.1 -0.936 12.9-165.9-134.9 111.8 46.6 -42.7 40.7 31 34 A H S S+ 0 0 1 -2,-0.4 2,-0.2 204,-0.1 -1,-0.1 0.713 77.2 26.6 -71.1 -21.8 43.3 -40.9 41.0 32 35 A D S > S- 0 0 9 1,-0.1 4,-1.3 45,-0.1 314,-0.1 -0.795 85.0-105.5-131.6 179.1 42.3 -41.7 37.4 33 36 A A H > S+ 0 0 1 312,-0.8 4,-1.5 -2,-0.2 313,-0.2 0.819 115.9 57.8 -74.7 -31.9 43.0 -44.4 34.7 34 37 A X H > S+ 0 0 2 311,-1.7 4,-1.7 2,-0.2 3,-0.4 0.944 108.0 45.2 -62.6 -49.4 45.3 -42.0 32.8 35 38 A A H > S+ 0 0 0 1,-0.2 4,-1.9 310,-0.2 -1,-0.2 0.848 108.9 58.3 -62.0 -34.5 47.6 -41.6 35.7 36 39 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.838 104.2 52.2 -62.9 -33.8 47.4 -45.3 36.3 37 40 A L H X S+ 0 0 12 -4,-1.5 4,-2.7 -3,-0.4 -2,-0.2 0.899 106.8 51.0 -68.8 -42.2 48.8 -45.8 32.7 38 41 A V H X S+ 0 0 12 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.865 109.0 52.0 -64.5 -36.7 51.7 -43.5 33.3 39 42 A A H X>S+ 0 0 0 -4,-1.9 5,-1.8 2,-0.2 4,-1.3 0.905 110.8 47.7 -64.5 -43.3 52.6 -45.4 36.5 40 43 A R H <5S+ 0 0 91 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.923 114.3 46.2 -61.2 -46.3 52.5 -48.7 34.5 41 44 A N H <5S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.732 106.2 59.8 -71.1 -23.4 54.7 -47.1 31.8 42 45 A T H <5S- 0 0 30 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.826 123.4-103.7 -72.5 -32.0 57.0 -45.7 34.4 43 46 A G T <5 + 0 0 31 -4,-1.3 -3,-0.2 -3,-0.3 -2,-0.1 0.312 68.5 147.4 127.5 -4.9 57.7 -49.3 35.6 44 47 A F < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.1 -17,-0.1 -0.304 33.3-159.6 -64.2 144.8 55.7 -49.5 38.8 45 48 A L S S+ 0 0 85 -19,-0.4 2,-0.3 39,-0.1 -1,-0.1 0.554 70.1 48.1-104.6 -12.9 54.3 -52.9 39.6 46 49 A A - 0 0 0 -20,-0.6 2,-0.3 38,-0.1 40,-0.2 -0.922 66.3-148.6-130.4 156.5 51.5 -51.9 42.0 47 50 A L E - d 0 86B 0 38,-3.1 40,-3.4 -2,-0.3 2,-0.3 -0.866 6.8-157.9-124.7 156.4 48.7 -49.3 42.0 48 51 A Y E -cd 29 87B 5 -20,-1.3 -18,-2.7 -2,-0.3 2,-0.4 -0.986 8.1-165.0-137.2 146.1 47.0 -47.3 44.7 49 52 A L E - d 0 88B 1 38,-2.5 40,-2.8 -2,-0.3 2,-0.3 -0.887 12.5-168.5-132.5 103.0 43.7 -45.5 45.1 50 53 A S > - 0 0 5 -2,-0.4 4,-2.2 185,-0.3 5,-0.2 -0.687 24.4-139.6 -90.7 142.4 43.4 -43.1 48.0 51 54 A G H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.807 104.1 62.1 -65.3 -29.5 40.0 -41.6 49.0 52 55 A A H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 109.6 38.1 -63.3 -42.7 41.8 -38.3 49.6 53 56 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 115.7 52.1 -76.4 -40.3 42.8 -38.1 45.9 54 57 A Y H X S+ 0 0 5 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.880 111.1 47.6 -64.9 -39.8 39.6 -39.5 44.5 55 58 A T H <>S+ 0 0 2 -4,-2.4 5,-3.9 2,-0.2 3,-0.4 0.939 114.2 45.8 -65.2 -48.3 37.5 -37.0 46.5 56 59 A A H ><5S+ 0 0 1 -4,-1.5 3,-1.1 3,-0.3 -2,-0.2 0.842 107.4 59.3 -63.6 -33.8 39.7 -34.1 45.4 57 60 A S H 3<5S+ 0 0 4 -4,-2.4 265,-1.2 1,-0.3 264,-0.7 0.849 111.2 40.9 -61.6 -34.8 39.5 -35.4 41.9 58 61 A K T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.286 123.6-107.1 -96.1 8.7 35.8 -35.0 42.1 59 62 A G T < 5S+ 0 0 12 -3,-1.1 -3,-0.3 1,-0.3 -2,-0.1 0.687 80.6 124.1 76.5 19.4 36.1 -31.7 43.9 60 63 A L < - 0 0 53 -5,-3.9 -1,-0.3 -6,-0.2 2,-0.2 -0.776 60.5-115.0-110.0 154.8 35.0 -33.1 47.2 61 64 A P - 0 0 0 0, 0.0 2,-2.4 0, 0.0 4,-0.5 -0.538 36.8 -98.7 -84.6 156.5 36.8 -33.0 50.6 62 65 A D S S+ 0 0 77 1,-0.2 -10,-0.1 -2,-0.2 -11,-0.0 -0.477 83.5 119.6 -72.9 76.6 38.0 -36.1 52.4 63 66 A L S S- 0 0 79 -2,-2.4 -1,-0.2 -11,-0.0 -11,-0.0 0.181 87.3-102.0-128.0 14.0 35.0 -36.3 54.7 64 67 A G S S+ 0 0 39 -3,-0.2 -2,-0.1 1,-0.1 58,-0.0 0.829 79.2 133.3 68.8 33.6 33.6 -39.7 53.8 65 68 A I + 0 0 86 -4,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.123 48.0 93.8 -99.1 18.7 30.8 -38.3 51.6 66 69 A V S S- 0 0 11 -6,-0.0 2,-0.1 1,-0.0 -11,-0.0 -0.800 74.3-121.5-107.1 153.8 31.6 -40.8 48.8 67 70 A T > - 0 0 76 -2,-0.3 4,-1.3 1,-0.1 5,-0.1 -0.468 18.5-119.1 -90.3 164.4 29.9 -44.2 48.3 68 71 A S H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.846 117.1 53.1 -69.6 -34.5 31.6 -47.6 48.3 69 72 A T H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 102.1 60.2 -65.1 -42.2 30.4 -48.1 44.7 70 73 A E H > S+ 0 0 41 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.899 108.6 42.7 -48.9 -49.3 32.0 -44.8 43.8 71 74 A V H X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.859 109.8 58.0 -68.9 -36.5 35.4 -46.0 44.8 72 75 A A H X S+ 0 0 7 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.790 104.4 52.1 -65.7 -29.2 34.8 -49.4 43.2 73 76 A E H X S+ 0 0 103 -4,-1.8 4,-1.6 -3,-0.2 -1,-0.2 0.915 111.7 44.3 -73.2 -44.5 34.2 -47.8 39.8 74 77 A R H X S+ 0 0 12 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.850 112.2 53.3 -68.2 -34.6 37.4 -45.7 39.9 75 78 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.755 106.8 54.3 -69.2 -24.5 39.3 -48.8 41.1 76 79 A R H X S+ 0 0 76 -4,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.849 103.5 53.2 -77.6 -36.3 37.8 -50.6 38.1 77 80 A D H X S+ 0 0 15 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.825 108.6 52.5 -65.4 -31.7 39.2 -48.0 35.6 78 81 A L H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 6,-0.4 0.876 114.0 40.7 -71.5 -39.6 42.6 -48.6 37.2 79 82 A V H X S+ 0 0 5 -4,-1.3 4,-2.7 31,-0.2 -2,-0.2 0.908 112.6 53.9 -76.2 -44.0 42.5 -52.4 36.8 80 83 A R H < S+ 0 0 178 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.5 43.2 -56.4 -39.8 40.9 -52.4 33.3 81 84 A A H < S+ 0 0 33 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.781 132.3 14.8 -81.9 -29.4 43.6 -50.0 31.9 82 85 A T H < S- 0 0 6 -4,-1.1 -2,-0.2 2,-0.1 -3,-0.2 0.636 78.2-138.9-122.5 -22.5 46.7 -51.6 33.4 83 86 A D < + 0 0 6 -4,-2.7 -4,-0.1 -5,-0.3 -77,-0.1 0.860 57.7 141.7 55.6 37.6 45.9 -55.1 34.8 84 87 A L - 0 0 3 -6,-0.4 2,-0.2 -5,-0.1 -1,-0.2 -0.765 64.0 -91.9-106.9 152.9 48.1 -54.2 37.8 85 88 A P - 0 0 0 0, 0.0 -38,-3.1 0, 0.0 2,-0.5 -0.488 47.4-156.2 -61.4 125.9 47.5 -55.1 41.5 86 89 A V E -d 47 0B 0 -2,-0.2 28,-2.1 25,-0.2 2,-0.6 -0.930 11.8-154.3-116.0 127.3 45.6 -52.2 43.0 87 90 A L E -de 48 114B 0 -40,-3.4 -38,-2.5 -2,-0.5 2,-0.5 -0.877 18.9-159.4 -97.5 123.7 45.5 -51.2 46.7 88 91 A V E -de 49 115B 0 26,-2.6 28,-3.2 -2,-0.6 2,-0.6 -0.901 15.1-137.9-115.1 124.3 42.3 -49.4 47.6 89 92 A D E + e 0 116B 14 -40,-2.8 28,-0.2 -2,-0.5 26,-0.0 -0.665 27.0 170.9 -74.8 118.2 41.7 -47.1 50.6 90 93 A I >> - 0 0 1 26,-2.7 3,-2.4 -2,-0.6 4,-0.5 0.130 27.4-145.9-119.3 19.4 38.2 -48.0 51.9 91 94 A D T 34 S- 0 0 17 25,-0.4 27,-2.8 1,-0.3 -1,-0.3 -0.316 74.3 -18.0 56.1-117.3 38.2 -46.0 55.1 92 95 A T T 34 S- 0 0 4 25,-0.2 3,-0.3 -2,-0.2 -1,-0.3 0.127 106.1 -84.9-107.3 18.7 36.2 -47.9 57.7 93 96 A G T <4 - 0 0 0 -3,-2.4 10,-0.3 23,-0.2 -2,-0.2 0.604 66.7 -85.2 87.6 13.5 34.5 -50.1 55.2 94 97 A F S < S- 0 0 44 -4,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.849 98.6 -20.1 56.5 41.2 31.8 -47.5 54.6 95 98 A G S S- 0 0 31 -3,-0.3 -1,-0.1 27,-0.1 27,-0.1 -0.927 101.5 -17.3 135.7-157.3 29.6 -48.6 57.5 96 99 A G S > S- 0 0 41 -2,-0.3 4,-2.4 3,-0.1 5,-0.2 0.073 83.5 -70.9 -75.1-170.8 29.0 -51.6 59.9 97 100 A V H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.838 133.8 47.9 -53.0 -38.6 30.1 -55.2 59.5 98 101 A L H > S+ 0 0 140 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 110.3 49.9 -73.2 -41.1 27.5 -55.8 56.7 99 102 A N H > S+ 0 0 84 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.861 110.2 52.4 -63.4 -36.1 28.5 -52.6 54.7 100 103 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.901 107.5 52.1 -63.8 -42.0 32.1 -53.7 55.0 101 104 A A H X S+ 0 0 17 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.911 112.6 43.9 -61.8 -44.9 31.1 -57.1 53.6 102 105 A R H X S+ 0 0 147 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.912 113.2 52.4 -64.6 -44.0 29.4 -55.5 50.6 103 106 A T H X S+ 0 0 2 -4,-2.7 4,-1.4 -10,-0.3 -2,-0.2 0.918 110.0 48.9 -56.2 -46.1 32.3 -53.1 50.2 104 107 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.909 112.9 46.4 -61.7 -44.9 34.7 -56.1 50.2 105 108 A V H X S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 108.5 56.0 -65.2 -41.3 32.6 -58.0 47.6 106 109 A E H X S+ 0 0 21 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.810 108.3 49.5 -59.7 -31.1 32.3 -54.8 45.5 107 110 A X H <>S+ 0 0 0 -4,-1.4 5,-2.4 2,-0.2 -1,-0.2 0.874 108.0 51.4 -76.6 -39.4 36.1 -54.6 45.4 108 111 A V H ><5S+ 0 0 36 -4,-1.8 3,-1.7 1,-0.2 -2,-0.2 0.894 107.8 53.5 -63.5 -40.2 36.6 -58.3 44.4 109 112 A E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.1 54.2 -62.6 -32.8 34.1 -57.8 41.5 110 113 A A T 3<5S- 0 0 2 -4,-0.9 -1,-0.3 -5,-0.2 -31,-0.2 0.274 119.2-114.7 -84.7 11.6 36.2 -54.8 40.4 111 114 A K T < 5 + 0 0 74 -3,-1.7 2,-0.4 1,-0.2 -25,-0.2 0.848 55.4 168.5 55.1 39.8 39.2 -57.1 40.3 112 115 A V < - 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0 0 8 262,-0.9 265,-0.1 -2,-0.3 264,-0.1 -0.808 40.7-131.0 -88.3 121.5 52.0 -34.6 26.5 268 273 A T > - 0 0 48 -2,-0.6 4,-1.6 1,-0.1 5,-0.2 -0.051 22.5-100.9 -69.3 171.8 52.2 -34.7 22.7 269 274 A R H > S+ 0 0 158 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.905 121.8 50.7 -57.6 -45.6 49.8 -36.3 20.3 270 275 A S H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 108.3 51.1 -62.3 -43.4 52.0 -39.4 19.8 271 276 A E H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.818 112.0 47.5 -66.3 -32.0 52.5 -39.9 23.6 272 277 A L H X S+ 0 0 27 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.940 112.2 50.0 -70.8 -49.8 48.7 -39.8 24.1 273 278 A Y H X>S+ 0 0 85 -4,-2.7 5,-2.0 1,-0.2 4,-0.6 0.928 115.3 43.2 -47.8 -54.2 48.2 -42.2 21.2 274 279 A E H ><5S+ 0 0 126 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.910 114.3 47.8 -65.7 -46.6 50.7 -44.6 22.5 275 280 A T H 3<5S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.1 49.0 -64.7 -34.0 49.7 -44.5 26.2 276 281 A I H 3<5S- 0 0 11 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.562 108.7-127.7 -85.4 -8.9 46.0 -45.0 25.2 277 282 A S T S+ 0 0 103 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.836 102.7 51.4 -61.9 -34.7 47.3 -49.0 17.7 280 285 A D H > S+ 0 0 65 -3,-0.4 4,-0.8 2,-0.2 -1,-0.2 0.780 109.6 49.4 -75.3 -27.8 46.0 -52.1 19.6 281 286 A F H X S+ 0 0 31 -4,-1.1 4,-1.8 -3,-0.3 -2,-0.2 0.779 113.0 49.2 -76.5 -28.6 42.4 -51.0 19.0 282 287 A E H X S+ 0 0 60 -4,-1.7 4,-3.1 2,-0.2 5,-0.3 0.921 108.9 48.9 -76.7 -46.3 43.3 -50.5 15.3 283 288 A E H X S+ 0 0 101 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.778 111.7 53.5 -64.5 -26.8 45.0 -53.9 14.8 284 289 A L H X S+ 0 0 78 -4,-0.8 4,-2.0 2,-0.2 5,-0.2 0.976 114.1 38.1 -68.1 -58.8 41.9 -55.4 16.5 285 290 A D H X S+ 0 0 51 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.879 121.2 45.6 -60.9 -42.4 39.4 -53.8 14.2 286 291 A T H X S+ 0 0 52 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.860 109.4 55.8 -70.4 -36.7 41.6 -54.2 11.1 287 292 A G H < S+ 0 0 36 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.881 112.7 41.7 -62.2 -39.4 42.4 -57.8 12.1 288 293 A I H >< S+ 0 0 101 -4,-2.0 3,-0.8 1,-0.1 -2,-0.2 0.851 113.5 57.1 -72.2 -35.6 38.7 -58.6 12.1 289 294 A A H 3< S+ 0 0 28 -4,-2.0 -2,-0.2 125,-0.3 -3,-0.2 0.933 105.3 46.0 -60.6 -51.8 38.3 -56.5 9.0 290 295 A K T 3< 0 0 165 -4,-2.9 -1,-0.2 124,-0.1 -2,-0.1 0.395 360.0 360.0 -81.5 6.2 40.7 -58.4 6.8 291 296 A T < 0 0 151 -3,-0.8 -3,-0.1 -5,-0.2 -2,-0.0 0.148 360.0 360.0-117.6 360.0 39.3 -61.7 7.9 292 !* 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 0.0 293 8 B Q 0 0 195 0, 0.0 2,-0.2 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 -66.1 22.9 -23.3 43.1 294 9 B S - 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