==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-99 1DKL . COMPND 2 MOLECULE: PHYTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIM,S.GOLOVAN,C.W.FORSBERG,Z.JIA . 806 4 8 4 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 49 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.4 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 4 4 2 1 0 0 0 9 0 0 2 0 0 0 3 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 6 4 1 2 1 0 0 0 4 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 . 4 0 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 2 A S 0 0 67 0, 0.0 756,-0.0 0, 0.0 760,-0.0 0.000 360.0 360.0 360.0 -58.3 1.7 -22.1 33.4 2 3 A E + 0 0 102 3,-0.0 335,-0.3 336,-0.0 336,-0.2 0.369 360.0 49.2-160.0 -51.6 5.1 -22.1 35.0 3 4 A P S S+ 0 0 20 0, 0.0 333,-0.0 0, 0.0 379,-0.0 0.771 73.5 120.6 -78.2 -24.1 8.2 -20.8 33.2 4 5 A E - 0 0 61 331,-0.1 332,-1.5 1,-0.1 333,-0.4 -0.085 40.1-171.0 -50.4 131.2 6.9 -17.4 31.9 5 6 A L E -A 335 0A 5 632,-3.3 2,-0.4 330,-0.2 330,-0.2 -0.845 10.8-153.4-120.4 155.4 8.8 -14.3 33.1 6 7 A K E -A 334 0A 90 328,-1.7 328,-2.6 -2,-0.3 2,-0.5 -0.998 20.1-125.6-132.1 134.4 8.0 -10.6 32.7 7 8 A L E +A 333 0A 4 61,-0.4 326,-0.2 -2,-0.4 3,-0.1 -0.674 37.9 160.8 -78.8 124.2 10.5 -7.8 32.6 8 9 A E E + 0 0 58 324,-2.5 2,-0.3 -2,-0.5 325,-0.2 0.661 58.3 20.0-116.4 -24.9 9.7 -5.3 35.3 9 10 A S E -A 332 0A 3 323,-1.5 323,-3.0 265,-0.0 2,-0.4 -0.981 52.6-169.2-153.7 139.4 12.8 -3.3 35.9 10 11 A V E -Ab 331 292A 0 281,-2.5 283,-2.3 -2,-0.3 2,-0.5 -0.988 0.6-171.7-131.0 130.9 16.2 -2.5 34.3 11 12 A V E -Ab 330 293A 0 319,-3.1 319,-3.2 -2,-0.4 2,-0.5 -0.976 8.2-167.7-121.5 120.5 19.3 -0.8 35.7 12 13 A I E -Ab 329 294A 0 281,-3.2 283,-3.0 -2,-0.5 2,-0.7 -0.932 8.2-168.0-113.1 120.7 22.1 0.1 33.3 13 14 A V E -Ab 328 295A 1 315,-2.9 315,-3.1 -2,-0.5 2,-0.3 -0.931 24.1-175.9-105.0 111.3 25.5 1.2 34.6 14 15 A S E -Ab 327 296A 1 281,-3.1 283,-3.6 -2,-0.7 2,-0.2 -0.821 26.8-131.2-114.0 149.0 27.3 2.6 31.6 15 16 A R E - b 0 297A 9 311,-2.3 283,-0.3 -2,-0.3 310,-0.1 -0.633 44.0 -98.7 -86.0 155.8 30.8 3.9 30.9 16 17 A H - 0 0 7 281,-1.4 309,-1.8 -2,-0.2 310,-0.3 -0.174 45.5 -95.1 -67.3 169.2 30.9 7.2 29.1 17 18 A G - 0 0 1 74,-0.5 -1,-0.1 307,-0.3 308,-0.1 -0.112 62.8 -53.0 -78.4-178.1 31.4 7.3 25.4 18 19 A V - 0 0 4 32,-0.2 29,-2.1 306,-0.1 2,-0.4 -0.311 60.9-166.8 -61.1 129.6 34.7 7.9 23.6 19 20 A R B -I 46 0B 54 27,-0.3 27,-0.3 -3,-0.1 24,-0.1 -0.952 27.9-102.7-121.5 141.7 36.4 11.0 24.9 20 21 A A - 0 0 0 25,-2.5 24,-1.9 -2,-0.4 195,-0.0 -0.366 43.1-116.7 -60.6 131.0 39.3 12.8 23.3 21 22 A P - 0 0 19 0, 0.0 18,-0.1 0, 0.0 23,-0.1 -0.363 35.3 -97.1 -69.4 155.0 42.5 12.0 25.2 22 23 A T - 0 0 86 21,-0.2 3,-0.1 1,-0.2 22,-0.1 -0.209 60.3 -63.5 -66.5 161.1 44.3 14.9 27.0 23 24 A K - 0 0 174 1,-0.1 -1,-0.2 20,-0.1 2,-0.1 -0.112 67.7 -95.6 -47.0 138.8 47.2 16.7 25.4 24 25 A A - 0 0 31 -3,-0.1 -1,-0.1 12,-0.1 2,-0.1 -0.343 41.0-134.1 -62.6 135.3 50.2 14.4 24.9 25 26 A T > - 0 0 65 -3,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.374 22.6-106.3 -86.9 166.8 52.8 14.5 27.7 26 27 A Q H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.829 121.4 56.9 -60.4 -33.5 56.6 14.6 27.3 27 28 A L H > S+ 0 0 67 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.920 105.6 51.1 -64.2 -42.9 56.8 11.0 28.4 28 29 A M H 4 S+ 0 0 8 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.860 112.2 45.5 -62.7 -37.5 54.5 10.1 25.5 29 30 A Q H >< S+ 0 0 90 -4,-1.7 3,-0.6 1,-0.2 146,-0.3 0.800 109.6 56.6 -76.9 -27.1 56.7 12.0 23.0 30 31 A D H 3< S+ 0 0 53 -4,-2.0 146,-1.8 1,-0.2 147,-0.2 0.556 101.9 56.2 -81.2 -8.3 59.8 10.5 24.5 31 32 A V T 3< S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.5 143,-0.2 0.528 110.3 37.6-101.7 -4.2 58.7 6.9 23.9 32 33 A T < - 0 0 4 -3,-0.6 -1,-0.2 -4,-0.4 138,-0.1 -0.989 62.0-144.4-147.9 136.7 58.0 7.1 20.1 33 34 A P S S+ 0 0 64 0, 0.0 2,-0.2 0, 0.0 137,-0.1 0.734 82.5 82.7 -68.8 -22.0 59.8 8.9 17.2 34 35 A D S S- 0 0 54 135,-0.4 2,-0.2 1,-0.1 -2,-0.1 -0.503 86.1-110.1 -86.4 152.9 56.4 9.5 15.5 35 36 A A - 0 0 85 -2,-0.2 -1,-0.1 1,-0.1 194,-0.1 -0.566 28.7-116.8 -82.8 143.2 54.1 12.4 16.3 36 37 A W - 0 0 30 -2,-0.2 -12,-0.1 -4,-0.1 -1,-0.1 -0.649 34.5-114.5 -79.1 127.5 50.8 11.7 18.1 37 38 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.350 34.1-122.9 -61.0 142.1 47.8 12.6 15.8 38 39 A T - 0 0 125 -15,-0.0 -15,-0.0 1,-0.0 -3,-0.0 -0.496 15.6-123.0 -87.9 160.3 45.9 15.5 17.3 39 40 A W - 0 0 24 -2,-0.2 2,-2.0 -18,-0.1 4,-0.2 -0.899 4.4-145.3-109.7 121.4 42.2 15.5 18.1 40 41 A P S S+ 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.229 76.6 78.3 -75.7 49.3 39.8 18.0 16.6 41 42 A V S S- 0 0 33 -2,-2.0 -2,-0.1 6,-0.1 4,-0.1 -0.979 102.5 -79.2-154.5 144.1 37.6 18.2 19.8 42 43 A K > - 0 0 134 -2,-0.3 3,-1.8 4,-0.1 -22,-0.3 -0.247 65.8-112.0 -47.4 111.6 38.0 19.9 23.1 43 44 A L T 3 S+ 0 0 69 1,-0.3 -21,-0.2 -4,-0.2 -1,-0.1 -0.137 98.2 25.1 -52.2 139.8 40.5 17.5 24.6 44 45 A G T 3 S+ 0 0 9 -24,-1.9 47,-0.3 1,-0.3 -1,-0.3 0.356 103.1 106.9 87.2 -6.1 39.1 15.4 27.5 45 46 A W S < S- 0 0 112 -3,-1.8 -25,-2.5 -24,-0.1 -1,-0.3 -0.611 83.3 -88.3-104.1 165.2 35.5 15.8 26.3 46 47 A L B -I 19 0B 17 -27,-0.3 -27,-0.3 -2,-0.2 -4,-0.1 -0.516 45.8-128.3 -67.8 130.8 33.1 13.4 24.7 47 48 A T > - 0 0 1 -29,-2.1 4,-2.1 -2,-0.2 5,-0.2 -0.508 17.6-118.2 -78.3 152.6 33.6 13.6 20.9 48 49 A P H > S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.862 118.6 53.1 -60.2 -30.5 30.5 14.2 18.9 49 50 A R H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.897 105.3 54.7 -67.6 -39.4 31.0 10.8 17.3 50 51 A G H > S+ 0 0 0 1,-0.2 4,-1.7 -32,-0.2 -1,-0.2 0.904 105.9 52.5 -58.1 -40.1 31.3 9.3 20.7 51 52 A G H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.874 107.1 52.7 -63.1 -37.3 27.9 10.8 21.5 52 53 A E H X S+ 0 0 76 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 105.2 53.0 -64.3 -47.9 26.5 9.2 18.3 53 54 A L H X S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.866 110.3 48.9 -56.7 -37.3 27.7 5.7 19.3 54 55 A I H >X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 3,-0.5 0.921 107.4 55.2 -67.9 -42.1 25.9 6.1 22.6 55 56 A A H 3X S+ 0 0 23 -4,-2.1 4,-2.6 1,-0.3 -2,-0.2 0.873 103.2 55.9 -57.8 -39.1 22.7 7.3 20.8 56 57 A Y H 3X S+ 0 0 54 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.850 107.2 48.9 -61.8 -37.0 22.8 4.1 18.8 57 58 A L H S+ 0 0 1 -4,-2.9 5,-2.9 -5,-0.2 6,-1.3 0.772 110.7 51.2 -68.8 -26.6 12.6 -2.6 25.7 66 67 A V H ><5S+ 0 0 33 -4,-1.7 3,-1.9 3,-0.2 -2,-0.2 0.925 108.5 51.7 -74.5 -43.3 9.6 -2.2 23.6 67 68 A A H 3<5S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 110.5 48.2 -61.3 -31.3 9.8 -5.8 22.4 68 69 A D T 3<5S- 0 0 26 -4,-1.6 -61,-0.4 -5,-0.2 -1,-0.3 0.402 116.7-121.0 -88.9 3.3 10.0 -6.9 26.1 69 70 A G T < 5S+ 0 0 49 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.718 80.3 118.2 66.7 26.6 7.0 -4.6 26.7 70 71 A L S > - 0 0 146 1,-0.2 3,-2.3 2,-0.1 4,-0.5 -0.224 60.4 -82.2 -58.7 151.0 5.7 8.4 31.2 79 80 A S T 34 S+ 0 0 120 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 -0.333 118.2 11.2 -59.4 132.5 7.3 10.9 33.5 80 81 A G T 34 S+ 0 0 49 2,-0.4 -1,-0.3 -3,-0.1 211,-0.2 0.561 97.7 107.9 76.5 6.7 9.7 9.2 35.9 81 82 A Q T <4 S+ 0 0 40 -3,-2.3 211,-2.3 1,-0.2 210,-0.5 0.793 84.0 37.7 -82.1 -31.0 9.4 6.0 33.9 82 83 A V E < S-c 292 0A 14 -4,-0.5 2,-0.4 209,-0.2 -2,-0.4 -0.985 74.7-174.9-122.2 127.9 13.0 6.6 32.7 83 84 A A E -c 293 0A 6 209,-2.9 211,-2.8 -2,-0.4 2,-0.4 -0.991 5.5-165.4-129.4 134.5 15.6 8.1 35.0 84 85 A I E -cd 294 111A 0 26,-0.7 28,-2.5 -2,-0.4 2,-0.4 -0.972 4.6-176.3-121.7 127.7 19.2 9.1 34.1 85 86 A I E -cd 295 112A 2 209,-2.9 211,-3.0 -2,-0.4 2,-0.3 -0.975 9.7-174.7-122.7 135.0 22.0 9.8 36.6 86 87 A A E -c 296 0A 0 26,-2.6 28,-0.4 -2,-0.4 211,-0.2 -0.961 28.7-109.5-134.0 151.2 25.4 11.0 35.5 87 88 A D - 0 0 13 209,-2.0 6,-0.1 -2,-0.3 30,-0.1 -0.287 45.6-103.0 -67.3 162.4 28.8 11.7 37.2 88 89 A V S S+ 0 0 9 31,-0.1 -1,-0.1 4,-0.1 29,-0.1 0.709 88.6 104.2 -65.0 -22.3 29.6 15.4 37.2 89 90 A D S > S- 0 0 56 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.116 79.2-119.6 -61.2 158.7 32.1 15.3 34.3 90 91 A E H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.950 111.9 52.8 -62.8 -50.2 31.3 16.6 30.9 91 92 A R H > S+ 0 0 44 -47,-0.3 4,-0.8 1,-0.2 -74,-0.5 0.829 111.7 45.9 -58.5 -33.4 31.8 13.2 29.2 92 93 A T H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.906 113.7 47.4 -78.7 -38.1 29.4 11.5 31.6 93 94 A R H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.943 113.6 47.3 -65.9 -46.9 26.7 14.1 31.4 94 95 A K H X S+ 0 0 75 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.754 108.7 56.4 -65.0 -25.6 26.8 14.2 27.6 95 96 A T H X S+ 0 0 0 -4,-0.8 4,-2.5 -5,-0.3 -1,-0.2 0.909 106.7 49.4 -71.5 -40.5 26.7 10.4 27.6 96 97 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.921 113.6 47.0 -61.7 -42.8 23.5 10.6 29.6 97 98 A E H X S+ 0 0 88 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 111.2 48.7 -66.4 -45.0 22.1 13.1 27.1 98 99 A A H X S+ 0 0 16 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.913 112.3 50.3 -63.0 -39.7 23.1 11.1 24.0 99 100 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.4 0.950 111.6 47.2 -62.0 -49.1 21.6 8.0 25.5 100 101 A A H X S+ 0 0 10 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 110.0 54.6 -58.5 -40.5 18.4 9.8 26.3 101 102 A A H < S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.8 41.9 -64.6 -31.9 18.4 11.2 22.7 102 103 A G H < S+ 0 0 10 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.845 114.5 50.4 -83.2 -34.8 18.6 7.8 21.2 103 104 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.849 134.5 4.0 -70.4 -38.4 16.1 6.1 23.5 104 105 A A S >< S- 0 0 0 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.3 -0.584 81.0-152.5-151.1 77.9 13.4 8.7 23.1 105 106 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.257 80.0 12.9 -57.7 137.1 14.3 11.4 20.5 106 107 A D T 3 S+ 0 0 173 1,-0.3 2,-0.3 -5,-0.0 -30,-0.1 0.452 98.6 121.2 77.3 0.8 12.6 14.7 21.0 107 108 A a < - 0 0 28 -3,-1.8 2,-1.1 -7,-0.2 -1,-0.3 -0.716 68.3-121.4 -96.0 149.4 11.5 13.8 24.5 108 109 A A + 0 0 105 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.0 -0.778 42.5 163.4 -92.3 99.9 12.6 15.9 27.5 109 110 A I - 0 0 33 -2,-1.1 2,-0.2 -5,-0.1 -9,-0.1 -0.985 31.5-133.2-119.2 121.9 14.4 13.5 29.8 110 111 A T - 0 0 96 -2,-0.5 2,-0.9 1,-0.0 -26,-0.7 -0.529 2.0-141.3 -79.7 138.2 16.5 15.1 32.4 111 112 A V E -d 84 0A 29 -2,-0.2 2,-0.3 -28,-0.1 -26,-0.2 -0.870 24.7-150.1 -97.7 104.5 20.0 14.0 33.2 112 113 A H E +d 85 0A 58 -28,-2.5 -26,-2.6 -2,-0.9 2,-0.3 -0.569 27.0 157.0 -78.9 136.9 20.3 14.3 37.0 113 114 A T - 0 0 34 -2,-0.3 -26,-0.1 -28,-0.2 4,-0.1 -0.935 53.3 -72.7-148.7 165.9 23.7 15.1 38.5 114 115 A Q - 0 0 49 -28,-0.4 7,-0.1 -2,-0.3 3,-0.0 -0.354 47.2-125.7 -56.7 144.0 25.0 16.6 41.7 115 116 A A S S+ 0 0 104 1,-0.2 2,-1.5 2,-0.1 -1,-0.1 0.937 101.9 63.8 -63.2 -44.9 24.2 20.3 41.6 116 117 A D > + 0 0 76 1,-0.2 3,-1.3 4,-0.1 -1,-0.2 -0.624 61.3 172.9 -83.9 88.9 27.8 21.2 42.2 117 118 A T T 3 S+ 0 0 67 -2,-1.5 -1,-0.2 1,-0.2 4,-0.1 0.350 70.2 73.4 -78.4 8.8 29.5 19.8 39.2 118 119 A S T 3 S+ 0 0 106 2,-0.1 -1,-0.2 -29,-0.0 -2,-0.1 0.515 95.7 53.7 -98.2 -4.9 32.8 21.5 40.3 119 120 A S S < S- 0 0 49 -3,-1.3 -31,-0.1 -5,-0.0 -5,-0.1 -0.908 98.3 -93.8-123.7 152.6 33.3 18.9 43.1 120 121 A P - 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.288 29.8-127.0 -69.3 155.0 33.3 15.1 42.8 121 122 A D > - 0 0 8 1,-0.1 3,-1.5 -4,-0.1 4,-0.4 -0.908 12.4-148.8 -99.6 112.8 30.2 13.1 43.4 122 123 A P G > S+ 0 0 27 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.685 88.5 78.5 -58.0 -18.6 31.0 10.4 46.0 123 124 A L G 3 S+ 0 0 8 1,-0.3 143,-0.4 2,-0.2 146,-0.1 0.910 98.9 43.4 -55.8 -40.3 28.4 8.0 44.4 124 125 A F G < S+ 0 0 6 -3,-1.5 -1,-0.3 1,-0.3 174,-0.1 0.560 138.6 0.9 -83.8 -11.4 31.1 7.3 41.8 125 126 A N X> - 0 0 20 -3,-0.8 4,-0.7 -4,-0.4 3,-0.7 -0.363 55.9-174.4-177.5 92.3 34.0 7.0 44.2 126 127 A P T 34>S+ 0 0 0 0, 0.0 5,-2.4 0, 0.0 6,-0.7 0.700 86.1 64.8 -66.2 -19.8 33.6 7.4 48.0 127 128 A L T >45S+ 0 0 5 1,-0.2 3,-1.0 3,-0.2 7,-0.1 0.884 93.9 62.5 -69.0 -36.6 37.3 7.2 48.6 128 129 A K T <45S+ 0 0 139 -3,-0.7 -1,-0.2 1,-0.3 70,-0.1 0.870 110.2 36.1 -55.0 -45.1 37.7 10.5 46.6 129 130 A T T 3<5S- 0 0 64 -4,-0.7 -1,-0.3 -7,-0.1 -2,-0.2 0.392 116.2-108.3 -93.6 2.7 35.7 12.5 49.1 130 131 A G T < 5S+ 0 0 56 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.762 73.2 138.4 79.4 24.9 36.9 10.7 52.2 131 132 A V S - 0 0 105 122,-0.3 4,-2.8 -2,-0.2 5,-0.3 -0.843 29.6-155.6 -91.3 105.8 43.3 -0.6 54.5 136 137 A N H > S+ 0 0 66 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.852 86.0 44.3 -49.8 -49.0 46.8 0.1 53.1 137 138 A A H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 116.1 45.5 -66.5 -46.3 48.4 -3.1 54.3 138 139 A N H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 114.0 49.7 -65.9 -39.2 45.6 -5.5 53.2 139 140 A V H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.911 111.0 50.6 -66.1 -40.6 45.3 -3.7 49.8 140 141 A T H X S+ 0 0 44 -4,-2.1 4,-2.5 -5,-0.3 5,-0.3 0.943 112.8 44.4 -62.7 -49.2 49.0 -4.0 49.3 141 142 A D H X S+ 0 0 112 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 114.1 50.2 -63.6 -42.3 49.2 -7.7 50.1 142 143 A A H 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0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.913 108.9 54.6 -70.0 -42.0 9.5 -21.2 -9.2 544 141 B T H X S+ 0 0 47 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.945 111.2 44.8 -56.6 -50.9 13.2 -21.0 -8.6 545 142 B D H X S+ 0 0 110 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.931 111.8 51.7 -61.0 -48.1 13.3 -17.3 -9.6 546 143 B A H X S+ 0 0 17 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.902 113.9 44.3 -56.8 -42.4 10.1 -16.4 -7.6 547 144 B I H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.921 111.8 50.6 -71.8 -42.5 11.5 -17.9 -4.4 548 145 B L H <>S+ 0 0 42 -4,-2.5 5,-2.8 -5,-0.2 -2,-0.2 0.912 111.6 50.4 -60.7 -40.8 15.0 -16.5 -4.8 549 146 B S H ><5S+ 0 0 89 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.925 110.2 46.9 -64.0 -45.3 13.5 -13.1 -5.3 550 147 B R H 3<5S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.747 106.3 63.2 -69.2 -18.9 11.3 -13.3 -2.2 551 148 B A T 3<5S- 0 0 3 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.3 0.481 124.4-103.7 -81.8 -3.3 14.3 -14.5 -0.4 552 149 B G T < 5S- 0 0 49 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.640 80.0 -46.5 89.5 13.1 16.1 -11.2 -1.0 553 150 B G S S- 0 0 39 -3,-0.4 4,-1.8 -5,-0.1 5,-0.1 -0.967 74.9-102.1-160.6 166.9 19.6 -15.9 -2.4 555 152 B I H > S+ 0 0 14 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.853 119.9 58.6 -66.9 -32.1 19.3 -18.2 0.6 556 153 B A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 106.6 47.0 -64.2 -39.7 22.5 -16.9 2.0 557 154 B D H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.1 56.0 -66.0 -38.4 21.0 -13.4 2.0 558 155 B F H < S+ 0 0 5 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.957 112.2 38.8 -57.0 -56.3 17.9 -14.8 3.6 559 156 B T H >< S+ 0 0 17 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.855 111.1 62.5 -64.5 -34.4 19.7 -16.4 6.6 560 157 B G H >< S+ 0 0 41 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.910 101.8 48.8 -58.3 -44.2 21.9 -13.3 6.8 561 158 B H T 3< S+ 0 0 115 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.583 114.2 48.6 -73.5 -6.9 19.1 -11.0 7.5 562 159 B R T X> + 0 0 76 -3,-1.2 4,-1.8 -4,-0.4 3,-0.9 0.105 66.9 119.5-121.5 24.8 17.9 -13.4 10.2 563 160 B Q H <> S+ 0 0 34 -3,-1.1 4,-3.0 1,-0.3 5,-0.2 0.848 72.5 62.5 -57.1 -34.4 21.0 -14.1 12.2 564 161 B T H 3> S+ 0 0 38 -200,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.869 105.7 45.3 -59.8 -37.8 19.4 -12.7 15.3 565 162 B A H <> S+ 0 0 6 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.870 112.5 51.0 -74.2 -38.2 16.7 -15.4 15.2 566 163 B F H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.902 109.3 50.6 -65.6 -40.8 19.3 -18.1 14.5 567 164 B R H X S+ 0 0 132 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.848 108.4 53.0 -67.0 -30.5 21.4 -16.9 17.5 568 165 B E H X S+ 0 0 40 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.941 109.8 47.8 -67.6 -45.1 18.3 -17.0 19.7 569 166 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.921 109.7 53.5 -59.9 -43.2 17.6 -20.6 18.6 570 167 B E H X>S+ 0 0 25 -4,-2.6 5,-2.7 1,-0.2 4,-1.2 0.869 107.0 52.7 -58.7 -36.0 21.3 -21.4 19.3 571 168 B R H <5S+ 0 0 76 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.940 108.5 48.2 -65.3 -48.8 20.8 -20.0 22.8 572 169 B V H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 116.8 43.8 -60.4 -36.7 17.8 -22.2 23.5 573 170 B L H <5S- 0 0 0 -4,-2.1 -135,-0.4 -5,-0.2 -1,-0.2 0.651 102.0-131.2 -80.4 -18.6 19.7 -25.3 22.2 574 171 B N T ><5 + 0 0 47 -4,-1.2 3,-1.7 -3,-0.5 -3,-0.2 0.952 40.6 177.5 58.6 47.3 22.9 -24.3 24.1 575 172 B F G > < + 0 0 1 -5,-2.7 3,-2.7 1,-0.3 6,-0.5 0.832 62.6 68.2 -52.4 -42.9 24.4 -25.0 20.6 576 173 B P G 3 S+ 0 0 80 0, 0.0 -1,-0.3 0, 0.0 -140,-0.1 0.684 103.0 47.3 -57.9 -14.4 28.0 -24.1 21.5 577 174 B Q G < S+ 0 0 124 -3,-1.7 -2,-0.2 -142,-0.1 2,-0.1 0.180 91.4 109.9-110.5 17.4 28.2 -27.2 23.8 578 175 B S S <> S- 0 0 0 -3,-2.7 4,-2.3 -143,-0.2 3,-0.3 -0.458 81.5-112.8 -87.4 163.5 26.6 -29.5 21.2 579 176 B N H > S+ 0 0 65 -146,-0.3 4,-3.2 1,-0.2 -144,-0.1 0.929 116.2 62.9 -59.8 -46.0 28.6 -32.3 19.4 580 177 B L H 4 S+ 0 0 45 -146,-2.5 -1,-0.2 1,-0.2 -145,-0.1 0.881 110.4 39.2 -46.3 -44.4 28.2 -30.4 16.1 581 178 B g H >4 S+ 0 0 5 -6,-0.5 3,-0.9 -147,-0.3 -1,-0.2 0.906 115.8 49.2 -75.1 -43.9 30.2 -27.5 17.6 582 179 B L H 3< S+ 0 0 125 -4,-2.3 2,-1.2 1,-0.3 -2,-0.2 0.947 107.2 55.2 -61.5 -47.8 32.8 -29.6 19.5 583 180 B K T 3< 0 0 167 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.1 -0.112 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