==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-12 4DIA . COMPND 2 MOLECULE: 2-PYRONE-4,6-DICARBAXYLATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR V.N.MALASHKEVICH,R.TORO,M.E.HOBBS,F.M.RAUSHEL,S.C.ALMO . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 1 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 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 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 3 A L 0 0 120 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.3 37.9 9.3 -4.0 2 4 A T > - 0 0 73 1,-0.1 3,-0.5 3,-0.0 4,-0.3 0.070 360.0-101.9 -67.2 177.0 39.0 6.4 -6.3 3 5 A N G > S+ 0 0 65 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.921 117.0 50.8 -68.1 -45.8 36.8 3.6 -7.7 4 6 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.2 46,-0.1 4,-0.1 0.498 102.6 61.4 -81.3 1.4 37.7 0.8 -5.3 5 7 A E G < S+ 0 0 136 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.528 95.6 81.5 -90.7 -11.8 37.1 3.1 -2.3 6 8 A R S < S- 0 0 15 -3,-1.5 2,-0.5 -4,-0.3 44,-0.2 -0.432 96.2 -80.3 -92.1 169.9 33.5 3.3 -3.5 7 9 A I B -a 49 0A 66 41,-2.4 43,-2.4 -2,-0.1 2,-0.5 -0.592 33.3-153.8 -83.7 118.2 30.6 0.8 -2.9 8 10 A L + 0 0 41 -2,-0.5 242,-0.1 41,-0.2 -1,-0.0 -0.752 21.2 166.6 -82.9 123.9 30.4 -2.3 -5.1 9 11 A S + 0 0 4 -2,-0.5 2,-0.3 233,-0.2 -1,-0.1 0.319 52.4 64.6-121.2 9.8 26.8 -3.7 -5.3 10 12 A W S S- 0 0 10 240,-0.1 2,-0.5 231,-0.1 242,-0.1 -0.835 86.0 -97.3-130.1 165.6 26.9 -6.1 -8.2 11 13 A N - 0 0 45 240,-0.6 242,-0.1 -2,-0.3 -2,-0.0 -0.719 24.9-155.4 -81.6 122.0 28.6 -9.4 -9.1 12 14 A E S S+ 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.667 92.5 31.8 -76.5 -14.0 31.7 -8.7 -11.2 13 15 A T S S- 0 0 120 -3,-0.0 -1,-0.3 2,-0.0 239,-0.0 -0.530 84.7-173.4-134.0 68.3 31.6 -12.2 -12.8 14 16 A P - 0 0 28 0, 0.0 238,-0.1 0, 0.0 2,-0.0 -0.253 29.9-102.4 -65.7 151.7 27.9 -13.1 -13.0 15 17 A S - 0 0 54 1,-0.1 -4,-0.0 49,-0.0 3,-0.0 -0.320 35.3-105.5 -63.1 154.2 26.9 -16.6 -14.1 16 18 A K - 0 0 133 1,-0.1 48,-0.1 238,-0.1 -1,-0.1 -0.693 43.2-111.9 -74.1 131.0 25.7 -17.2 -17.6 17 19 A P - 0 0 11 0, 0.0 238,-0.1 0, 0.0 237,-0.1 -0.363 10.7-146.1 -62.3 145.3 21.9 -17.7 -17.4 18 20 A R S S+ 0 0 238 236,-0.3 2,-0.2 2,-0.0 237,-0.1 0.750 84.4 83.9 -76.0 -26.1 20.8 -21.3 -18.3 19 21 A Y S S- 0 0 27 235,-0.3 239,-0.1 1,-0.0 240,-0.1 -0.526 73.1-149.2 -74.5 139.8 17.8 -19.5 -19.8 20 22 A T - 0 0 116 -2,-0.2 45,-0.1 238,-0.1 44,-0.0 -0.935 13.6-141.6-112.1 107.9 18.0 -18.1 -23.3 21 23 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 250,-0.0 -0.266 26.3-105.0 -60.0 153.7 15.9 -15.0 -23.9 22 24 A P > - 0 0 33 0, 0.0 3,-1.2 0, 0.0 0, 0.0 -0.356 51.2 -74.3 -73.3 162.8 14.1 -14.6 -27.2 23 25 A P T 3 S+ 0 0 124 0, 0.0 43,-0.1 0, 0.0 44,-0.0 -0.248 119.6 23.9 -54.2 139.5 15.4 -12.2 -29.9 24 26 A G T 3 S+ 0 0 29 1,-0.2 42,-0.1 -3,-0.1 2,-0.1 0.600 83.1 168.1 79.3 14.7 14.7 -8.5 -29.1 25 27 A A < - 0 0 0 -3,-1.2 42,-2.4 40,-0.3 43,-2.0 -0.338 22.8-146.2 -64.3 139.0 14.4 -9.1 -25.4 26 28 A I E -b 68 0B 0 248,-2.8 2,-1.1 41,-0.2 211,-0.3 -0.932 11.9-150.8-114.7 122.3 14.3 -5.9 -23.3 27 29 A D E -b 69 0B 2 41,-2.5 43,-2.5 -2,-0.5 211,-0.3 -0.818 22.1-173.6 -82.4 99.1 15.8 -5.5 -19.8 28 30 A A E + 0 0 0 209,-2.9 210,-0.3 -2,-1.1 2,-0.2 0.339 64.9 49.3 -88.5 10.6 13.2 -2.9 -18.7 29 31 A H E S+ 0 0 1 208,-0.2 211,-3.3 2,-0.0 212,-0.4 -0.661 72.7 112.0-152.1 89.0 14.8 -2.0 -15.4 30 32 A C E -b 71 0B 0 40,-1.6 42,-3.5 210,-0.2 2,-0.3 -0.871 37.1-157.2-144.2 176.3 18.5 -1.3 -15.1 31 33 A H - 0 0 4 210,-2.0 2,-0.3 -2,-0.3 42,-0.1 -0.925 12.7-130.1-146.5 170.2 20.7 1.7 -14.3 32 34 A V - 0 0 0 -2,-0.3 2,-0.5 40,-0.3 42,-0.4 -0.964 11.5-150.3-121.0 150.7 24.1 3.3 -14.7 33 35 A F B -I 52 0C 4 19,-2.3 19,-2.4 -2,-0.3 3,-0.2 -0.988 44.4 -89.6-115.1 120.9 26.3 4.8 -12.0 34 36 A G - 0 0 1 -2,-0.5 2,-0.2 1,-0.3 16,-0.0 -0.256 17.0-121.9 54.4-134.9 28.5 7.7 -13.3 35 37 A P >> - 0 0 33 0, 0.0 4,-2.9 0, 0.0 3,-1.4 0.338 42.3-146.3 -60.0 136.9 31.2 7.2 -14.4 36 38 A M T 34 S+ 0 0 51 1,-0.3 -2,-0.1 2,-0.2 14,-0.0 0.807 92.5 59.5 -56.2 -39.0 31.9 9.7 -11.5 37 39 A A T 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.801 119.3 31.3 -64.9 -26.1 34.7 11.5 -13.2 38 40 A Q T <4 S+ 0 0 136 -3,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.816 132.9 26.5 -93.6 -40.7 32.3 12.4 -16.1 39 41 A F S < S- 0 0 34 -4,-2.9 -1,-0.3 43,-0.0 -2,-0.1 -0.920 80.2-143.8-131.3 101.9 29.0 12.7 -14.2 40 42 A P - 0 0 86 0, 0.0 43,-0.2 0, 0.0 -6,-0.1 -0.265 21.9-111.7 -65.1 152.1 29.2 13.6 -10.5 41 43 A F - 0 0 25 1,-0.1 36,-0.2 -8,-0.1 35,-0.1 -0.352 42.5 -89.6 -70.4 162.1 26.7 12.0 -8.0 42 44 A S > - 0 0 29 34,-2.6 3,-2.4 1,-0.1 36,-0.1 -0.542 27.4-124.5 -74.2 141.3 24.1 14.2 -6.4 43 45 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 34,-0.1 0.679 113.7 58.1 -56.3 -17.1 25.1 15.9 -3.1 44 46 A K T 3 S+ 0 0 193 31,-0.1 33,-0.1 32,-0.1 34,-0.0 0.426 76.0 132.1 -90.7 -3.1 22.0 14.2 -1.7 45 47 A A < - 0 0 22 -3,-2.4 31,-0.1 31,-0.3 3,-0.1 -0.242 54.5-143.8 -58.0 133.7 23.1 10.6 -2.5 46 48 A K S S+ 0 0 205 1,-0.2 2,-0.3 29,-0.0 -1,-0.1 0.853 82.2 1.1 -66.9 -36.1 22.7 8.2 0.4 47 49 A Y S S- 0 0 39 -40,-0.0 -1,-0.2 -41,-0.0 -41,-0.0 -0.979 72.0-115.6-148.4 161.0 26.0 6.3 -0.7 48 50 A L - 0 0 71 -2,-0.3 -41,-2.4 -3,-0.1 2,-0.1 -0.842 35.1-159.6-100.1 104.3 28.7 6.6 -3.4 49 51 A P B -a 7 0A 10 0, 0.0 -41,-0.2 0, 0.0 3,-0.1 -0.356 24.8 -99.3 -79.5 161.7 28.7 3.6 -5.7 50 52 A R - 0 0 55 -43,-2.4 2,-0.2 -44,-0.2 -43,-0.1 -0.298 58.0 -79.1 -60.4 160.9 31.5 2.3 -7.8 51 53 A D + 0 0 35 -19,-0.1 2,-0.3 1,-0.0 -17,-0.2 -0.499 48.0 174.7 -63.1 131.4 31.3 3.3 -11.5 52 54 A A B +I 33 0C 0 -19,-2.4 -19,-2.3 -2,-0.2 -1,-0.0 -0.769 22.0 174.9-137.0 86.7 28.9 1.2 -13.5 53 55 A G >> - 0 0 7 -2,-0.3 4,-2.2 -21,-0.2 3,-0.6 -0.234 47.4 -84.7 -94.1-179.1 28.9 2.9 -16.9 54 56 A P H 3> S+ 0 0 11 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.835 123.1 59.0 -57.3 -37.3 27.4 2.1 -20.3 55 57 A D H 3> S+ 0 0 135 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 110.1 42.4 -59.1 -45.1 30.2 -0.1 -21.3 56 58 A M H <> S+ 0 0 74 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.902 113.3 53.1 -68.5 -39.6 29.6 -2.4 -18.4 57 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.904 111.4 45.3 -61.8 -45.3 25.8 -2.3 -18.8 58 60 A F H X S+ 0 0 23 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.858 111.4 52.9 -69.9 -34.5 26.1 -3.3 -22.5 59 61 A A H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.921 113.2 44.6 -61.5 -43.3 28.6 -6.1 -21.6 60 62 A L H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 110.2 55.1 -67.2 -43.3 26.1 -7.4 -19.1 61 63 A R H X>S+ 0 0 23 -4,-2.7 5,-2.6 1,-0.2 4,-0.7 0.948 112.0 42.6 -53.7 -54.8 23.2 -7.0 -21.5 62 64 A D H ><5S+ 0 0 90 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.872 112.1 55.2 -62.2 -39.3 24.9 -9.2 -24.1 63 65 A H H 3<5S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 109.3 46.3 -58.8 -40.6 26.1 -11.6 -21.4 64 66 A L H 3<5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.579 118.9-112.0 -82.7 -8.8 22.5 -12.1 -20.2 65 67 A G T <<5 + 0 0 35 -4,-0.7 -40,-0.3 -3,-0.5 2,-0.2 0.716 67.6 143.5 88.5 22.9 21.3 -12.5 -23.8 66 68 A F < - 0 0 8 -5,-2.6 -1,-0.3 -6,-0.2 -40,-0.2 -0.628 39.0-161.4 -96.2 153.5 19.2 -9.3 -24.0 67 69 A A S S+ 0 0 22 -42,-2.4 2,-0.3 -2,-0.2 -41,-0.2 0.724 70.9 19.0-100.0 -34.0 18.9 -7.0 -27.0 68 70 A R E -b 26 0B 49 -43,-2.0 -41,-2.5 -7,-0.1 2,-0.3 -0.914 61.3-150.4-141.6 160.0 17.7 -3.6 -25.4 69 71 A N E -bc 27 95B 0 25,-2.1 27,-1.9 -2,-0.3 2,-0.6 -0.971 14.0-146.5-132.3 151.0 17.6 -1.8 -22.1 70 72 A V E - c 0 96B 0 -43,-2.5 -40,-1.6 -2,-0.3 2,-0.7 -0.986 27.1-150.7-111.2 116.3 15.4 0.7 -20.3 71 73 A I E -bc 30 97B 0 25,-2.9 27,-1.8 -2,-0.6 2,-0.6 -0.809 8.3-155.4 -96.4 115.6 17.9 2.7 -18.3 72 74 A V E - c 0 98B 0 -42,-3.5 -40,-0.3 -2,-0.7 27,-0.2 -0.823 26.6-106.1-101.3 119.0 16.2 4.1 -15.1 73 75 A Q - 0 0 1 25,-2.7 2,-0.2 -2,-0.6 -1,-0.1 -0.150 38.5-131.1 -40.8 123.6 17.7 7.2 -13.5 74 76 A A > - 0 0 3 -42,-0.4 3,-2.1 1,-0.1 4,-0.2 -0.570 9.6-126.0 -84.9 146.5 19.5 6.0 -10.3 75 77 A S G > S+ 0 0 78 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.796 105.7 72.5 -66.8 -22.7 18.8 7.8 -7.1 76 78 A C G 3 S+ 0 0 14 1,-0.3 -34,-2.6 -31,-0.1 -1,-0.3 0.650 100.1 48.8 -63.3 -11.2 22.5 8.4 -6.6 77 79 A H G X S- 0 0 3 -3,-2.1 3,-2.1 1,-0.2 -1,-0.3 0.418 92.0-163.9-107.0 1.9 22.2 11.0 -9.4 78 80 A G T < - 0 0 18 -3,-1.7 -1,-0.2 1,-0.3 22,-0.2 -0.231 65.8 -22.8 55.3-129.6 19.1 12.8 -8.0 79 81 A T T 3 S+ 0 0 79 20,-0.1 2,-0.9 1,-0.1 -1,-0.3 0.252 111.8 103.2 -96.6 12.0 17.3 14.9 -10.6 80 82 A D < - 0 0 86 -3,-2.1 3,-0.5 1,-0.1 4,-0.2 -0.823 46.8-179.7 -96.1 99.9 20.4 15.2 -12.8 81 83 A N > + 0 0 12 -2,-0.9 4,-3.0 1,-0.2 5,-0.2 0.283 46.3 110.8 -84.4 11.3 19.7 12.8 -15.6 82 84 A A H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 77.1 47.5 -54.7 -50.5 23.0 13.4 -17.5 83 85 A A H > S+ 0 0 2 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.914 115.5 44.9 -60.1 -46.1 24.6 10.0 -16.8 84 86 A T H > S+ 0 0 0 -4,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.934 113.3 51.5 -60.9 -46.5 21.4 8.1 -17.8 85 87 A L H X S+ 0 0 51 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.868 110.3 48.5 -59.0 -41.5 21.0 10.3 -20.9 86 88 A D H X S+ 0 0 51 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.916 111.7 49.9 -67.6 -43.6 24.6 9.7 -22.0 87 89 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.929 110.1 50.0 -58.6 -48.0 24.2 5.9 -21.5 88 90 A I H ><>S+ 0 0 10 -4,-2.8 3,-1.0 1,-0.2 5,-0.5 0.944 111.8 48.1 -58.2 -46.7 21.0 5.8 -23.5 89 91 A A H ><5S+ 0 0 66 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.910 108.0 55.7 -61.1 -37.2 22.7 7.7 -26.4 90 92 A R H 3<5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.671 90.1 73.5 -71.9 -15.2 25.7 5.3 -26.2 91 93 A A T X<5S- 0 0 6 -4,-1.0 3,-1.3 -3,-1.0 -1,-0.3 0.540 98.5-137.0 -72.5 -9.2 23.4 2.3 -26.8 92 94 A Q T < 5S- 0 0 167 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.888 75.1 -30.6 55.9 45.9 23.1 3.5 -30.4 93 95 A G T 3 - 0 0 96 -2,-0.3 3,-2.0 -23,-0.2 -2,-0.0 -0.617 38.1-124.6 -64.1 128.3 12.2 18.4 -10.3 103 105 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.576 109.4 63.8 -61.6 -2.7 8.4 18.8 -10.3 104 106 A A T 3 S+ 0 0 76 2,-0.0 2,-0.1 31,-0.0 -2,-0.1 0.109 75.5 142.1 -99.2 19.7 9.0 22.4 -11.6 105 107 A I < - 0 0 19 -3,-2.0 -4,-0.0 1,-0.1 5,-0.0 -0.379 52.3-111.4 -67.9 136.0 10.6 21.2 -14.8 106 108 A D > - 0 0 90 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.231 13.9-122.8 -59.4 150.6 9.8 23.1 -18.1 107 109 A E H > S+ 0 0 164 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.905 118.7 51.5 -55.7 -41.0 7.6 21.8 -21.0 108 110 A A H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.859 107.4 49.8 -65.9 -39.9 10.8 22.5 -23.0 109 111 A E H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 110.1 51.3 -67.9 -39.1 13.1 20.6 -20.7 110 112 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.850 106.8 53.9 -62.7 -38.1 10.7 17.6 -20.8 111 113 A A H X S+ 0 0 50 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.882 107.8 50.7 -63.2 -38.2 10.7 17.8 -24.6 112 114 A A H X S+ 0 0 64 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.878 107.7 52.2 -66.3 -40.5 14.6 17.5 -24.5 113 115 A L H <>S+ 0 0 16 -4,-1.8 5,-2.5 2,-0.2 -2,-0.2 0.915 110.1 50.4 -57.6 -43.2 14.4 14.5 -22.2 114 116 A H H ><5S+ 0 0 56 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.924 108.7 49.7 -61.0 -47.7 12.0 13.0 -24.8 115 117 A E H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.1 56.3 -59.7 -33.8 14.5 13.7 -27.6 116 118 A G T 3<5S- 0 0 30 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.341 128.8 -95.8 -81.7 4.6 17.1 12.1 -25.4 117 119 A G T < 5S+ 0 0 7 -3,-1.9 -20,-2.2 1,-0.3 2,-0.2 0.439 74.7 142.8 99.2 1.3 15.1 8.8 -25.1 118 120 A M E < +d 97 0B 0 -5,-2.5 -1,-0.3 -22,-0.2 -20,-0.2 -0.550 21.2 177.4 -70.4 136.3 13.2 9.3 -21.8 119 121 A R E - 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0 0 69 -3,-0.4 -240,-0.1 -240,-0.1 2,-0.1 -0.503 16.8-141.6 -74.5 120.1 24.7 -9.0 -4.0 251 259 A P - 0 0 8 0, 0.0 2,-0.7 0, 0.0 -240,-0.6 -0.426 10.4-123.4 -84.5 157.9 22.7 -11.0 -6.6 252 260 A D >> - 0 0 33 1,-0.1 4,-1.9 -2,-0.1 3,-0.8 -0.871 19.7-149.8 -90.5 112.0 24.1 -13.2 -9.3 253 261 A D H 3> S+ 0 0 0 -2,-0.7 4,-2.4 1,-0.3 5,-0.2 0.775 93.6 63.5 -59.0 -27.5 22.5 -11.8 -12.5 254 262 A G H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -235,-0.3 0.936 106.3 42.2 -57.2 -49.1 22.6 -15.3 -14.1 255 263 A L H <> S+ 0 0 68 -3,-0.8 4,-0.6 2,-0.2 -2,-0.2 0.849 110.6 57.9 -69.9 -35.6 20.2 -16.6 -11.4 256 264 A V H >< S+ 0 0 3 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.944 109.3 44.3 -56.2 -49.5 18.1 -13.5 -11.7 257 265 A V H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.876 104.6 65.2 -63.1 -36.6 17.5 -14.1 -15.4 258 266 A D H 3< S+ 0 0 34 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.644 88.1 68.3 -67.0 -12.6 16.9 -17.8 -14.7 259 267 A M T XX S+ 0 0 3 -3,-1.1 4,-2.3 -4,-0.6 3,-1.2 0.771 80.8 81.6 -70.2 -25.8 13.7 -16.8 -12.8 260 268 A I H <> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.4 -1,-0.2 0.909 90.7 45.6 -50.0 -54.4 12.1 -15.7 -16.1 261 269 A P H 34 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.725 110.7 55.5 -66.3 -15.9 11.1 -19.2 -17.2 262 270 A R H <4 S+ 0 0 102 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.894 117.2 33.9 -81.1 -37.9 9.7 -20.0 -13.7 263 271 A I H < S+ 0 0 0 -4,-2.3 -34,-0.2 1,-0.3 -3,-0.2 0.729 132.7 32.1 -88.2 -20.3 7.4 -16.9 -13.7 264 272 A A S < S+ 0 0 0 -4,-2.7 -1,-0.3 -5,-0.3 6,-0.2 -0.681 73.3 173.0-132.3 81.0 6.7 -17.1 -17.5 265 273 A P + 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.646 56.1 63.3 -69.9 -19.2 6.8 -20.8 -18.3 266 274 A T S > S- 0 0 54 1,-0.1 4,-2.2 0, 0.0 3,-0.3 -0.751 84.1-119.7-107.8 156.4 5.7 -20.7 -22.0 267 275 A P H > S+ 0 0 86 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.854 114.9 56.0 -56.4 -36.0 7.4 -19.0 -25.0 268 276 A E H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 107.7 45.9 -65.9 -40.9 4.3 -16.8 -25.4 269 277 A L H > S+ 0 0 29 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.892 114.3 49.0 -69.8 -40.1 4.5 -15.5 -21.9 270 278 A Q H X S+ 0 0 27 -4,-2.2 4,-2.4 -6,-0.2 5,-0.3 0.898 110.5 51.4 -61.2 -43.3 8.2 -14.8 -22.3 271 279 A H H X>S+ 0 0 91 -4,-2.7 5,-2.2 2,-0.2 4,-1.9 0.908 113.2 44.4 -62.4 -45.6 7.5 -13.1 -25.6 272 280 A K H <>S+ 0 0 67 -4,-2.3 5,-2.8 3,-0.2 -2,-0.2 0.951 118.1 42.5 -62.4 -52.0 4.9 -10.8 -24.1 273 281 A M H <5S+ 0 0 0 -4,-2.6 -36,-0.6 1,-0.2 -2,-0.2 0.843 126.3 30.3 -69.8 -33.4 6.9 -10.0 -20.9 274 282 A L H <5S+ 0 0 0 -4,-2.4 -248,-2.8 -5,-0.2 -1,-0.2 0.662 136.9 9.1-103.1 -18.6 10.3 -9.5 -22.6 275 283 A V T X5S+ 0 0 20 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.673 122.6 42.4-124.9 -68.6 9.4 -8.2 -26.1 276 284 A T H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.869 113.0 54.0 -66.3 -27.1 8.2 -3.4 -23.2 279 287 A M H X S+ 0 0 17 -4,-2.1 4,-2.0 2,-0.2 7,-0.2 0.918 107.2 50.8 -65.9 -40.9 8.1 -2.5 -26.9 280 288 A R H < S+ 0 0 92 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.866 118.4 38.6 -63.4 -36.2 4.6 -1.2 -26.5 281 289 A L H < S+ 0 0 16 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.854 131.8 20.6 -83.4 -39.6 5.7 1.0 -23.6 282 290 A Y H < S+ 0 0 1 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.661 133.7 29.2-110.3 -22.7 9.2 2.2 -24.7 283 291 A W >< + 0 0 2 -4,-2.0 3,-2.4 -5,-0.4 4,-0.5 -0.325 67.0 149.9-130.4 48.5 9.4 1.8 -28.5 284 292 A S G > + 0 0 70 1,-0.3 3,-1.4 -4,-0.2 -1,-0.1 0.805 65.9 68.4 -57.2 -29.6 5.7 2.3 -29.4 285 293 A E G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.711 99.0 51.6 -63.0 -19.9 6.7 3.9 -32.8 286 294 A E G < 0 0 99 -3,-2.4 -1,-0.3 -7,-0.2 -2,-0.2 0.594 360.0 360.0 -91.0 -13.4 8.0 0.4 -33.9 287 295 A M < 0 0 122 -3,-1.4 -11,-0.0 -4,-0.5 -3,-0.0 -0.544 360.0 360.0 -76.2 360.0 4.8 -1.5 -33.0