==== 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 HYDROLASE 28-APR-03 1P5X . COMPND 2 MOLECULE: PHOSPHOLIPASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR N.M.ANTIKAINEN,A.F.MONZINGO,C.L.FRANKLIN,J.D.ROBERTUS, . 245 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 73.1 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 1 1 1 0 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 1 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 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 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 W 0 0 3 0, 0.0 121,-0.1 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 168.9 45.2 23.9 7.9 2 2 A S + 0 0 4 144,-0.3 12,-2.0 1,-0.1 11,-0.2 -0.228 360.0 173.5 -68.3 156.3 46.2 20.8 6.0 3 3 A A + 0 0 0 9,-0.2 9,-0.3 10,-0.2 52,-0.1 -0.254 25.2 145.4-156.4 48.0 45.3 17.3 7.1 4 4 A E + 0 0 92 7,-2.3 2,-0.4 1,-0.1 8,-0.2 0.828 65.6 37.0 -62.0 -41.2 46.7 15.4 4.0 5 5 A D S S- 0 0 48 3,-0.4 3,-0.2 6,-0.3 -1,-0.1 -0.972 71.8-141.5-121.8 133.1 47.8 12.2 5.8 6 6 A K S S+ 0 0 77 -2,-0.4 46,-0.1 1,-0.2 -1,-0.1 0.851 99.1 18.2 -58.0 -39.7 46.0 10.6 8.7 7 7 A H S S+ 0 0 90 45,-0.0 2,-0.5 42,-0.0 -1,-0.2 0.345 106.4 86.1-119.5 8.2 49.1 9.7 10.7 8 8 A K > - 0 0 132 -3,-0.2 3,-0.5 1,-0.1 -3,-0.4 -0.939 53.1-159.6-115.8 130.1 52.0 11.8 9.3 9 9 A E G > S+ 0 0 51 -2,-0.5 3,-1.6 1,-0.2 7,-0.2 0.780 81.2 83.2 -72.2 -28.8 52.8 15.3 10.5 10 10 A G G 3 S+ 0 0 54 1,-0.3 -1,-0.2 6,-0.0 3,-0.1 0.846 112.6 13.8 -42.7 -46.1 54.7 16.1 7.3 11 11 A V G < S+ 0 0 66 -3,-0.5 -7,-2.3 1,-0.1 2,-0.4 0.008 115.6 80.5-122.9 26.8 51.6 17.0 5.5 12 12 A N <> + 0 0 0 -3,-1.6 4,-1.9 -9,-0.3 -9,-0.2 -0.806 43.8 172.8-136.7 91.1 49.1 17.3 8.4 13 13 A S H > S+ 0 0 0 -2,-0.4 4,-2.6 -11,-0.2 -10,-0.2 0.827 81.6 59.0 -66.7 -33.1 49.4 20.6 10.1 14 14 A H H > S+ 0 0 3 -12,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.928 108.3 43.4 -61.8 -46.4 46.4 19.8 12.3 15 15 A L H > S+ 0 0 1 -13,-0.2 4,-2.9 1,-0.2 5,-0.2 0.891 112.5 54.3 -65.7 -40.4 48.0 16.7 13.7 16 16 A W H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.923 107.2 50.4 -59.2 -46.1 51.3 18.6 14.2 17 17 A I H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.931 113.6 45.2 -58.3 -48.3 49.5 21.3 16.2 18 18 A V H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.894 112.5 50.8 -64.0 -41.8 47.8 18.7 18.4 19 19 A N H X S+ 0 0 17 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.892 111.3 48.3 -64.1 -38.8 51.1 16.8 18.9 20 20 A R H X S+ 0 0 30 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.822 110.1 52.6 -70.7 -29.9 52.9 19.9 19.8 21 21 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.886 107.9 50.6 -70.9 -39.5 50.1 20.8 22.3 22 22 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.876 107.7 54.3 -64.6 -37.1 50.5 17.3 23.8 23 23 A D H X S+ 0 0 51 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.876 104.7 53.8 -63.8 -37.9 54.2 18.0 24.1 24 24 A I H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.937 108.9 49.4 -61.2 -45.0 53.5 21.2 26.0 25 25 A M H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 3,-0.2 0.888 110.1 50.5 -60.8 -40.9 51.4 19.2 28.4 26 26 A S H < S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.840 108.8 52.4 -66.7 -32.8 54.2 16.7 28.9 27 27 A R H < S+ 0 0 99 -4,-2.0 2,-0.5 133,-0.2 134,-0.3 0.752 89.6 91.6 -75.4 -24.4 56.7 19.5 29.6 28 28 A N < + 0 0 11 -4,-1.4 6,-0.1 -3,-0.2 134,-0.0 -0.612 45.8 170.2 -75.8 122.3 54.4 20.9 32.3 29 29 A T + 0 0 126 -2,-0.5 -1,-0.1 2,-0.1 -4,-0.0 0.291 68.4 55.9-114.5 8.3 55.3 19.5 35.6 30 30 A T S S+ 0 0 123 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.653 121.0 11.2-113.5 -20.9 53.3 21.7 37.9 31 31 A L S S+ 0 0 78 -6,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.670 99.8 87.6-128.5 -33.8 49.7 21.4 36.7 32 32 A V - 0 0 11 -7,-0.2 2,-0.9 1,-0.1 -1,-0.1 -0.582 64.0-139.3 -82.5 130.4 49.3 18.6 34.2 33 33 A K > - 0 0 145 -2,-0.3 3,-2.5 1,-0.2 4,-0.5 -0.780 14.8-149.1 -83.9 111.4 48.5 15.0 35.3 34 34 A Q T 3> S+ 0 0 76 -2,-0.9 4,-1.9 1,-0.3 3,-0.3 0.646 89.9 77.2 -59.2 -15.3 50.7 13.0 32.9 35 35 A D H 3> S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.768 89.5 60.1 -64.9 -23.2 48.2 10.2 33.0 36 36 A R H <> S+ 0 0 29 -3,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.880 103.0 48.2 -71.3 -38.8 46.2 12.4 30.7 37 37 A V H > S+ 0 0 10 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.884 108.3 55.9 -68.7 -36.0 49.0 12.4 28.1 38 38 A A H X S+ 0 0 56 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.876 107.3 49.3 -62.8 -37.3 49.2 8.6 28.5 39 39 A Q H X S+ 0 0 28 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.901 107.9 52.7 -68.9 -42.3 45.5 8.3 27.6 40 40 A L H < S+ 0 0 0 -4,-1.9 7,-0.2 1,-0.2 -2,-0.2 0.912 113.4 44.5 -58.9 -42.7 45.8 10.5 24.5 41 41 A N H >< S+ 0 0 77 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.804 107.4 59.4 -72.4 -29.7 48.6 8.3 23.3 42 42 A E H 3< S+ 0 0 133 -4,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.854 118.2 30.0 -67.5 -34.7 46.7 5.1 24.2 43 43 A W T 3X S+ 0 0 60 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 -0.080 81.7 126.9-114.7 33.1 43.9 6.1 21.8 44 44 A R H <> + 0 0 57 -3,-1.0 4,-3.2 1,-0.2 5,-0.3 0.838 68.1 59.9 -58.0 -36.9 46.0 8.1 19.4 45 45 A T H > S+ 0 0 78 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.958 110.3 40.0 -58.0 -51.6 44.7 6.1 16.4 46 46 A E H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 115.4 53.4 -65.1 -37.7 41.1 7.2 17.1 47 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -7,-0.2 -2,-0.2 0.945 111.3 44.4 -62.3 -49.0 42.3 10.7 17.9 48 48 A E H X S+ 0 0 16 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.855 108.9 58.1 -65.3 -34.6 44.2 11.0 14.6 49 49 A N H X S+ 0 0 44 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.2 0.916 108.0 47.1 -60.4 -43.5 41.2 9.5 12.8 50 50 A G H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.899 109.9 51.3 -65.8 -41.8 39.0 12.3 14.1 51 51 A I H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.888 117.8 40.8 -62.1 -37.0 41.5 15.0 13.2 52 52 A Y H >< S+ 0 0 57 -4,-2.2 3,-1.6 1,-0.2 4,-0.3 0.915 105.3 61.8 -77.2 -47.0 41.7 13.6 9.7 53 53 A A H >X S+ 0 0 4 -4,-3.1 3,-1.5 1,-0.3 4,-1.4 0.731 86.7 75.6 -54.6 -28.0 38.0 12.8 9.0 54 54 A A T 3< S+ 0 0 0 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.838 101.5 40.3 -55.8 -34.5 36.9 16.4 9.4 55 55 A N T <4 S+ 0 0 19 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.369 119.7 42.1 -97.3 5.3 38.3 17.2 6.0 56 56 A Y T <4 S+ 0 0 88 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.2 0.530 105.0 34.9-132.1 -4.7 37.2 14.1 4.1 57 57 A E S X S- 0 0 95 -4,-1.4 4,-1.6 -3,-0.0 5,-0.2 -0.986 78.0 -57.3-151.6 160.6 33.7 12.9 4.9 58 58 A N T 4 S+ 0 0 77 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 -0.441 105.2 15.8 -77.1 154.2 30.2 14.0 5.7 59 59 A P T >4 S+ 0 0 77 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.986 124.0 57.7 -85.7 -4.1 28.8 15.5 7.7 60 60 A Y T 34 S+ 0 0 26 1,-0.3 -2,-0.2 -3,-0.1 8,-0.2 0.770 111.2 39.2 -53.1 -39.1 32.2 17.0 8.8 61 61 A Y T 3X>S- 0 0 54 -4,-1.6 5,-2.5 -8,-0.2 4,-0.9 0.236 104.1-126.4-101.9 17.2 33.2 18.6 5.5 62 62 A D T X45S- 0 0 37 -3,-1.7 3,-1.7 1,-0.2 5,-0.3 0.880 71.1 -45.7 42.3 62.5 29.7 19.7 4.5 63 63 A N T 345S- 0 0 118 1,-0.3 -1,-0.2 2,-0.1 -5,-0.0 0.867 111.9 -54.8 53.0 40.5 29.4 18.1 1.1 64 64 A S T 345S+ 0 0 72 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.602 122.8 102.5 70.4 15.0 32.9 19.3 0.2 65 65 A T T <<5S- 0 0 48 -3,-1.7 -3,-0.2 -4,-0.9 -2,-0.1 0.626 70.4-149.2 -98.1 -18.0 32.1 23.0 1.0 66 66 A F > < + 0 0 66 -5,-2.5 3,-1.7 1,-0.1 -4,-0.2 0.762 41.5 151.9 54.8 27.6 33.9 22.9 4.3 67 67 A A G > + 0 0 2 -5,-0.3 3,-1.3 1,-0.3 19,-0.3 0.849 65.3 57.0 -55.7 -37.4 31.4 25.5 5.6 68 68 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -8,-0.2 22,-0.2 0.558 92.9 69.6 -74.7 -6.0 31.8 24.2 9.2 69 69 A H G < S+ 0 0 0 -3,-1.7 2,-0.3 16,-0.1 -1,-0.3 0.387 92.9 71.7 -91.0 3.9 35.6 24.8 9.2 70 70 A F < + 0 0 10 -3,-1.3 16,-2.5 14,-0.3 17,-0.2 -0.868 50.3 168.7-120.5 154.3 35.1 28.6 9.1 71 71 A Y - 0 0 7 57,-2.2 7,-0.2 -2,-0.3 60,-0.1 -0.765 19.4-155.9-166.1 114.3 33.9 31.1 11.7 72 72 A D B >>> -A 77 0A 14 5,-2.5 4,-2.6 -2,-0.2 3,-0.8 -0.848 10.3-155.8 -94.5 113.8 34.1 34.9 11.6 73 73 A P T 345S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 108,-0.1 0.760 87.2 62.9 -60.7 -25.7 34.0 36.2 15.2 74 74 A D T 345S+ 0 0 129 1,-0.2 -2,-0.0 3,-0.1 107,-0.0 0.820 125.3 11.2 -72.2 -31.4 32.6 39.6 14.2 75 75 A N T <45S- 0 0 90 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.451 96.1-124.7-122.9 -5.8 29.3 38.3 12.9 76 76 A G T <5 + 0 0 24 -4,-2.6 2,-0.3 1,-0.2 9,-0.1 0.771 68.9 122.8 67.1 28.7 29.4 34.7 14.1 77 77 A K B < -A 72 0A 133 -5,-0.7 -5,-2.5 7,-0.0 -1,-0.2 -0.798 56.3-134.9-122.4 161.1 29.0 33.3 10.6 78 78 A T - 0 0 9 2,-0.4 4,-0.1 5,-0.3 7,-0.1 -0.340 47.1 -89.2 -96.9-173.6 30.7 31.0 8.1 79 79 A Y S S+ 0 0 80 -12,-0.3 -12,-0.1 -2,-0.1 54,-0.1 0.611 110.0 66.8 -79.0 -10.2 31.2 31.9 4.4 80 80 A I S > S- 0 0 56 -13,-0.1 3,-2.1 4,-0.1 -2,-0.4 -0.947 96.0-108.2-112.0 124.3 27.9 30.4 3.2 81 81 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.189 98.5 1.8 -50.8 135.9 24.7 32.0 4.5 82 82 A F T 3 S+ 0 0 219 1,-0.2 2,-0.1 -4,-0.1 3,-0.1 0.495 98.8 131.9 64.5 6.7 22.8 29.9 7.1 83 83 A A < - 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0 0 32 -2,-0.2 -1,-0.4 2,-0.1 -3,-0.1 0.421 58.8 -86.9 -59.6-154.8 35.5 29.9 30.7 170 170 A T S S+ 0 0 115 -4,-0.0 -1,-0.1 4,-0.0 3,-0.0 0.540 100.5 98.1 -96.1 -9.7 34.4 26.4 30.9 171 171 A N >> - 0 0 52 1,-0.2 3,-1.5 2,-0.0 4,-0.8 -0.701 67.7-149.3 -82.2 116.2 32.2 26.7 27.7 172 172 A P H >> S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-0.7 0.833 94.9 67.5 -54.5 -31.7 34.2 25.3 24.7 173 173 A E H 3> S+ 0 0 61 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.853 94.9 56.7 -56.0 -37.0 32.4 27.8 22.5 174 174 A E H <> S+ 0 0 95 -3,-1.5 4,-2.4 2,-0.2 -1,-0.3 0.821 106.0 49.7 -64.3 -35.3 34.3 30.6 24.3 175 175 A W H < S+ 0 0 0 -4,-2.4 3,-0.6 -60,-0.2 4,-0.3 0.932 107.4 52.1 -63.7 -47.4 43.4 34.9 14.5 184 184 A K H >< S+ 0 0 53 -4,-3.0 3,-1.0 1,-0.3 4,-0.4 0.807 103.7 59.2 -61.3 -29.9 41.3 37.4 12.6 185 185 A Q H 3< S+ 0 0 139 -4,-1.2 3,-0.5 1,-0.2 -1,-0.3 0.882 105.8 48.4 -64.5 -38.1 43.4 40.2 14.1 186 186 A D T X< S+ 0 0 17 -4,-1.2 3,-0.8 -3,-0.6 -1,-0.2 0.396 85.3 100.4 -82.9 3.6 46.5 38.7 12.4 187 187 A Y G X> S+ 0 0 55 -3,-1.0 4,-2.4 -4,-0.3 3,-2.4 0.906 74.2 54.9 -55.0 -51.8 44.7 38.4 9.1 188 188 A S G 34 S+ 0 0 79 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.737 95.8 69.0 -58.0 -23.8 46.2 41.5 7.4 189 189 A G G <4 S+ 0 0 21 -3,-0.8 -1,-0.3 -4,-0.2 30,-0.3 0.555 115.4 24.9 -73.1 -5.0 49.6 40.1 8.1 190 190 A I T <4 S+ 0 0 0 -3,-2.4 2,-0.7 1,-0.2 -2,-0.2 0.676 122.6 45.5-123.0 -45.5 48.9 37.3 5.6 191 191 A V S < S+ 0 0 7 -4,-2.4 2,-0.3 4,-0.1 -1,-0.2 -0.906 75.3 118.5-112.1 106.9 46.3 38.6 3.1 192 192 A N S > S- 0 0 40 -2,-0.7 4,-2.3 -3,-0.1 5,-0.2 -0.880 77.9 -80.8-151.0 178.3 46.9 42.1 1.8 193 193 A D H > S+ 0 0 133 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.836 124.8 52.7 -58.5 -34.9 47.6 43.8 -1.5 194 194 A N H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.989 112.4 40.1 -65.7 -61.0 51.3 42.9 -1.4 195 195 A T H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.865 117.7 51.0 -58.2 -35.5 50.9 39.1 -0.9 196 196 A K H X S+ 0 0 57 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.956 112.1 46.9 -64.4 -49.1 48.0 39.1 -3.3 197 197 A D H X S+ 0 0 63 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.919 115.7 44.0 -57.4 -49.9 50.1 40.9 -5.9 198 198 A W H X S+ 0 0 40 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.857 108.7 56.9 -66.9 -37.4 53.1 38.7 -5.5 199 199 A F H < S+ 0 0 23 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.873 109.4 47.3 -62.3 -36.9 51.1 35.4 -5.4 200 200 A V H >< S+ 0 0 71 -4,-1.7 3,-1.3 1,-0.2 4,-0.2 0.940 114.9 44.4 -68.9 -47.1 49.7 36.4 -8.8 201 201 A K H >X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.3 3,-1.2 0.660 98.2 75.4 -72.0 -14.6 53.1 37.3 -10.2 202 202 A A T 3< S+ 0 0 21 -4,-1.5 -1,-0.3 6,-0.3 7,-0.2 0.702 78.3 75.5 -69.1 -19.3 54.5 34.1 -8.6 203 203 A A T <4 S+ 0 0 89 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.797 115.3 17.2 -62.6 -29.0 52.8 32.1 -11.4 204 204 A V T <4 S+ 0 0 129 -3,-1.2 2,-0.6 -4,-0.2 -2,-0.2 0.644 125.6 55.2-115.6 -25.1 55.5 33.3 -13.8 205 205 A S >X - 0 0 26 -4,-2.2 3,-2.0 1,-0.1 4,-0.9 -0.903 55.2-165.5-120.1 106.4 58.3 34.5 -11.6 206 206 A Q H 3> S+ 0 0 137 -2,-0.6 4,-1.7 1,-0.3 3,-0.3 0.790 91.4 70.5 -54.1 -27.3 59.7 32.1 -8.9 207 207 A E H 3> S+ 0 0 93 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.857 99.0 46.1 -58.6 -36.9 61.2 35.3 -7.5 208 208 A Y H <> S+ 0 0 58 -3,-2.0 4,-1.9 -7,-0.3 -6,-0.3 0.712 103.7 62.5 -79.1 -21.6 57.7 36.4 -6.5 209 209 A A H X S+ 0 0 16 -4,-0.9 4,-1.5 -3,-0.3 -2,-0.2 0.886 105.9 46.5 -68.6 -37.8 57.0 33.0 -5.0 210 210 A D H X S+ 0 0 107 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.859 108.3 58.7 -70.9 -35.8 59.8 33.5 -2.6 211 211 A K H X S+ 0 0 84 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.918 109.4 38.5 -62.9 -48.0 58.5 37.0 -1.8 212 212 A W H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.889 115.0 55.9 -73.0 -33.1 55.1 36.2 -0.6 213 213 A R H X S+ 0 0 86 -4,-1.5 4,-0.5 -5,-0.2 -2,-0.2 0.933 111.8 42.0 -61.5 -45.3 56.4 33.1 1.2 214 214 A A H >< S+ 0 0 67 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.901 111.2 58.3 -68.0 -39.1 58.9 35.2 3.2 215 215 A E H 3< S+ 0 0 88 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.831 109.6 41.2 -60.1 -37.1 56.3 37.9 3.8 216 216 A V H 3X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.1 -1,-0.2 0.453 93.1 87.3 -93.3 0.2 53.8 35.6 5.5 217 217 A T H S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.952 115.4 40.4 -52.6 -55.6 56.6 35.9 10.7 219 219 A M H > S+ 0 0 46 -4,-0.4 4,-2.5 -30,-0.3 -2,-0.2 0.838 113.0 57.1 -62.5 -34.4 52.8 36.0 11.3 220 220 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.921 105.8 49.9 -62.7 -44.0 52.5 32.3 10.4 221 221 A G H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.919 111.1 49.1 -60.9 -42.4 55.0 31.5 13.2 222 222 A K H X S+ 0 0 86 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.919 111.6 48.9 -63.8 -43.5 53.1 33.6 15.7 223 223 A R H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.919 110.7 49.9 -63.4 -44.9 49.8 31.9 14.7 224 224 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.889 110.8 49.6 -62.6 -39.6 51.2 28.4 15.0 225 225 A M H X S+ 0 0 64 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.928 112.4 47.1 -66.7 -42.1 52.7 29.1 18.4 226 226 A D H X S+ 0 0 23 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.912 108.9 55.3 -63.9 -41.9 49.4 30.5 19.7 227 227 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.854 107.4 50.2 -59.7 -36.5 47.5 27.5 18.2 228 228 A Q H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.945 112.6 45.6 -66.4 -48.7 49.7 25.1 20.2 229 229 A R H X S+ 0 0 41 -4,-2.0 -65,-2.0 1,-0.2 4,-1.9 0.895 114.8 46.8 -63.3 -41.5 49.2 26.9 23.5 230 230 A V H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.893 111.3 51.9 -68.7 -38.6 45.5 27.3 23.0 231 231 A T H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 5,-0.2 0.898 107.5 52.1 -65.3 -39.5 45.1 23.7 22.0 232 232 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.953 111.5 47.3 -60.9 -47.2 47.0 22.5 25.1 233 233 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -67,-0.3 0.888 110.5 52.6 -59.7 -40.6 44.7 24.6 27.3 234 234 A Y H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 109.4 48.1 -62.6 -44.6 41.6 23.2 25.4 235 235 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.935 110.7 51.4 -63.1 -45.0 42.6 19.6 26.0 236 236 A Q H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 108.9 51.9 -58.2 -43.1 43.3 20.3 29.7 237 237 A L H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.910 106.0 54.9 -59.7 -43.6 39.8 21.8 30.0 238 238 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.939 111.8 42.3 -56.6 -51.1 38.3 18.7 28.4 239 239 A F H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.880 112.4 53.3 -64.4 -40.2 39.9 16.4 31.0 240 240 A D H < S+ 0 0 24 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.798 115.1 44.0 -63.9 -27.9 39.1 18.7 33.9 241 241 A T H < S+ 0 0 54 -4,-1.8 4,-0.4 -5,-0.2 -2,-0.2 0.889 130.4 18.3 -84.9 -43.6 35.5 18.7 32.7 242 242 A Y H < S+ 0 0 30 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.488 97.4 91.8-109.3 -5.1 34.9 15.0 31.9 243 243 A G S < S- 0 0 28 -4,-2.5 -1,-0.1 -5,-0.3 -3,-0.1 0.221 114.3 -84.5 -75.6 17.2 37.7 13.4 33.9 244 244 A D 0 0 113 1,-0.3 -2,-0.1 -3,-0.2 -1,-0.1 0.984 360.0 360.0 78.0 73.4 35.3 13.1 36.8 245 245 A R 0 0 224 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.930 360.0 360.0 167.2 360.0 35.3 16.3 38.8