==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-JAN-06 2FK5 . COMPND 2 MOLECULE: FUCULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR J.JEYAKANTHAN,Y.SHIRO,RIKEN STRUCTURAL GENOMICS/PROTEOMICS I . 389 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 15.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 13 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 2 0 0 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 4 4 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 . 2 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 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 R > 0 0 147 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -53.4 40.2 70.5 1.7 2 3 A A H > + 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.902 360.0 48.4 -48.0 -47.5 42.4 67.4 1.1 3 4 A R H > S+ 0 0 177 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 113.1 46.5 -61.7 -42.5 45.0 68.8 3.4 4 5 A L H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 111.8 51.5 -67.7 -40.3 42.5 69.6 6.1 5 6 A Y H X S+ 0 0 35 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.915 107.5 54.4 -59.5 -41.9 40.9 66.2 5.7 6 7 A A H X S+ 0 0 44 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.909 105.6 51.9 -57.6 -45.1 44.4 64.7 6.1 7 8 A A H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.891 111.9 45.7 -60.8 -42.0 44.8 66.6 9.4 8 9 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.920 114.6 48.9 -65.5 -44.9 41.5 65.2 10.7 9 10 A R H X S+ 0 0 120 -4,-3.0 4,-2.5 1,-0.2 39,-0.2 0.927 113.9 45.3 -60.1 -46.8 42.5 61.7 9.5 10 11 A Q H X S+ 0 0 86 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.884 111.2 51.9 -65.7 -41.9 45.9 61.9 11.1 11 12 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.928 112.4 47.1 -62.9 -42.5 44.6 63.2 14.4 12 13 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.943 113.8 47.0 -63.5 -47.4 42.1 60.4 14.6 13 14 A E H X S+ 0 0 81 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 115.7 45.2 -60.6 -43.4 44.7 57.8 13.7 14 15 A D H X S+ 0 0 55 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.875 111.4 50.5 -71.6 -37.7 47.2 59.1 16.2 15 16 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 6,-0.8 0.924 114.1 46.8 -64.8 -42.6 44.8 59.5 19.0 16 17 A F H ><5S+ 0 0 101 -4,-2.2 3,-2.0 -5,-0.2 -2,-0.2 0.952 110.0 51.7 -61.7 -51.6 43.6 56.0 18.5 17 18 A A H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 110.7 49.8 -55.9 -32.2 47.1 54.6 18.3 18 19 A Q T 3<5S- 0 0 90 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.386 116.6-113.3 -89.4 1.6 48.0 56.3 21.6 19 20 A G T < 5S+ 0 0 24 -3,-2.0 72,-0.4 2,-0.2 -3,-0.2 0.664 83.3 121.0 76.8 16.9 44.9 54.9 23.3 20 21 A L S - 0 0 55 -2,-0.3 3,-2.8 -3,-0.1 23,-0.1 -0.959 58.9 -7.4-159.1 161.3 38.7 53.9 20.5 23 24 A A T 3 S- 0 0 55 -2,-0.3 22,-0.8 1,-0.3 23,-0.4 -0.197 129.7 -25.2 46.4-124.0 35.6 52.9 18.6 24 25 A T T 3 S+ 0 0 62 20,-0.2 18,-0.3 21,-0.1 -1,-0.3 0.026 100.5 130.9-107.0 25.6 33.4 56.0 18.3 25 26 A A < + 0 0 32 -3,-2.8 20,-0.2 17,-0.1 64,-0.1 -0.550 56.3 9.6 -81.1 143.8 34.7 57.8 21.4 26 27 A G - 0 0 5 -2,-0.2 2,-0.3 62,-0.1 62,-0.2 0.053 61.2-143.6 81.7 169.6 35.7 61.4 21.1 27 28 A N E -A 87 0A 10 60,-1.9 60,-3.0 40,-0.1 2,-0.3 -0.972 6.7-159.5-167.1 156.3 35.3 64.1 18.4 28 29 A F E +A 86 0A 0 -2,-0.3 11,-1.5 58,-0.2 2,-0.3 -0.988 9.2 175.7-146.2 158.1 37.2 67.0 16.9 29 30 A S E -AB 85 38A 0 56,-2.3 56,-2.4 -2,-0.3 2,-0.3 -0.946 17.7-142.2-152.4 169.5 36.5 70.1 14.9 30 31 A V E -AB 84 37A 0 7,-1.6 7,-2.4 -2,-0.3 54,-0.3 -0.974 31.8-106.8-137.4 148.9 38.0 73.3 13.4 31 32 A R E - B 0 36A 53 52,-2.6 5,-0.3 -2,-0.3 2,-0.3 -0.549 41.2-177.6 -75.0 139.5 36.5 76.8 13.1 32 33 A T - 0 0 33 3,-2.5 3,-0.3 -2,-0.2 -1,-0.0 -0.825 43.7 -98.5-130.6 171.3 35.5 77.7 9.6 33 34 A K S S+ 0 0 159 -2,-0.3 293,-0.1 1,-0.2 -1,-0.1 0.885 125.5 44.7 -59.1 -37.0 34.1 80.9 8.0 34 35 A G S S- 0 0 2 291,-0.1 24,-0.6 292,-0.1 -1,-0.2 0.724 133.0 -78.9 -80.6 -22.4 30.6 79.3 8.2 35 36 A G E S- C 0 57A 0 -3,-0.3 -3,-2.5 22,-0.2 2,-0.3 -0.658 81.4 -33.2 161.7 -97.4 30.9 78.0 11.7 36 37 A F E -BC 31 56A 0 20,-2.0 20,-3.3 -5,-0.3 2,-0.5 -0.993 38.5-132.7-157.3 151.5 32.8 74.8 12.3 37 38 A L E +BC 30 55A 20 -7,-2.4 -7,-1.6 -2,-0.3 2,-0.3 -0.915 36.9 171.6-104.7 125.3 33.7 71.4 10.7 38 39 A I E -BC 29 54A 0 16,-2.7 16,-2.5 -2,-0.5 -9,-0.2 -0.934 36.4 -95.0-137.8 158.0 33.2 68.4 13.0 39 40 A T E - C 0 53A 0 -11,-1.5 28,-1.3 -2,-0.3 14,-0.2 -0.394 47.1-111.4 -68.1 144.6 33.3 64.6 12.9 40 41 A K B > -G 66 0B 72 12,-3.0 3,-0.9 26,-0.2 26,-0.3 -0.265 39.0 -86.1 -74.3 165.4 29.9 62.9 12.6 41 42 A S T 3 S+ 0 0 59 24,-2.8 -1,-0.1 1,-0.2 26,-0.1 -0.415 104.9 8.1 -72.3 144.8 28.2 60.9 15.3 42 43 A G T 3 S+ 0 0 48 -18,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.560 90.0 135.3 64.4 12.8 29.1 57.2 15.6 43 44 A V < - 0 0 23 -3,-0.9 2,-1.0 -19,-0.2 -1,-0.2 -0.558 65.4-107.9 -90.7 158.5 32.0 57.1 13.1 44 45 A Q > - 0 0 97 3,-0.2 3,-1.7 -2,-0.2 -20,-0.2 -0.760 30.6-164.7 -84.6 103.0 35.3 55.3 13.7 45 46 A K G > S+ 0 0 6 -2,-1.0 3,-1.0 -22,-0.8 -1,-0.2 0.791 84.4 63.8 -61.1 -29.8 37.6 58.3 14.2 46 47 A A G 3 S+ 0 0 15 -23,-0.4 -1,-0.3 1,-0.3 -33,-0.1 0.664 113.7 36.6 -68.9 -13.6 40.7 56.2 13.8 47 48 A R G < S+ 0 0 198 -3,-1.7 -1,-0.3 -35,-0.1 -3,-0.2 -0.337 85.5 170.6-135.3 53.9 39.5 55.6 10.3 48 49 A L < - 0 0 2 -3,-1.0 -3,-0.1 -39,-0.2 -35,-0.0 -0.314 13.9-166.3 -70.2 149.7 37.9 58.9 9.1 49 50 A T > - 0 0 48 -2,-0.0 3,-3.1 1,-0.0 4,-0.2 -0.919 37.9-104.8-129.4 151.6 36.7 59.5 5.6 50 51 A P G > S+ 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 0.838 121.1 59.1 -47.6 -38.3 35.8 63.0 4.1 51 52 A E G 3 S+ 0 0 125 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.592 91.6 72.5 -69.4 -6.8 32.1 62.1 4.2 52 53 A D G < S+ 0 0 30 -3,-3.1 -12,-3.0 -12,-0.1 2,-0.3 0.419 89.1 72.9 -86.4 0.0 32.6 61.6 8.0 53 54 A L E < -C 39 0A 15 -3,-1.7 2,-0.3 -14,-0.2 -14,-0.2 -0.890 58.8-179.0-116.2 148.3 32.8 65.3 8.5 54 55 A L E -C 38 0A 24 -16,-2.5 -16,-2.7 -2,-0.3 2,-0.4 -0.990 25.7-118.2-143.8 152.6 30.1 68.0 8.4 55 56 A E E -C 37 0A 44 -2,-0.3 -18,-0.2 -18,-0.2 11,-0.1 -0.727 25.3-166.6 -94.0 139.6 29.9 71.7 8.8 56 57 A V E -C 36 0A 0 -20,-3.3 -20,-2.0 -2,-0.4 2,-0.1 -0.979 15.8-131.3-125.5 134.9 27.7 73.2 11.6 57 58 A P E -C 35 0A 2 0, 0.0 -22,-0.2 0, 0.0 3,-0.1 -0.504 13.1-132.3 -83.0 155.8 26.7 76.9 11.9 58 59 A L S S+ 0 0 14 -24,-0.6 2,-0.5 1,-0.2 -23,-0.1 0.800 100.6 39.4 -73.5 -28.0 27.1 78.8 15.1 59 60 A E S S+ 0 0 56 267,-0.2 -1,-0.2 2,-0.1 257,-0.1 -0.984 105.8 34.0-125.2 125.4 23.6 80.0 14.7 60 61 A G S S- 0 0 20 -2,-0.5 2,-0.1 -3,-0.1 271,-0.1 -0.703 98.7 -24.0 126.5 179.9 20.8 77.8 13.4 61 62 A P - 0 0 48 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.368 60.6-120.5 -65.8 137.8 19.8 74.1 13.6 62 63 A I - 0 0 55 -6,-0.1 3,-0.1 -2,-0.1 -6,-0.1 -0.729 40.8-110.7 -79.8 118.3 22.6 71.6 14.3 63 64 A P > - 0 0 12 0, 0.0 3,-1.4 0, 0.0 2,-0.1 -0.066 33.3-102.7 -47.6 144.3 22.6 69.3 11.2 64 65 A E T 3 S+ 0 0 147 1,-0.2 3,-0.1 -24,-0.0 -24,-0.0 -0.460 107.3 34.8 -70.1 145.2 21.4 65.7 11.9 65 66 A G T 3 S+ 0 0 46 1,-0.3 -24,-2.8 -2,-0.1 -1,-0.2 0.253 86.0 132.6 95.3 -12.9 24.3 63.3 12.0 66 67 A A B < S-G 40 0B 11 -3,-1.4 -1,-0.3 -26,-0.3 -26,-0.2 -0.354 72.4 -73.5 -72.2 154.4 26.7 65.7 13.7 67 68 A S > - 0 0 7 -28,-1.3 3,-2.1 1,-0.2 4,-0.2 -0.086 40.2-123.0 -43.9 141.1 28.7 64.6 16.7 68 69 A V T 3 S+ 0 0 82 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.703 113.3 56.8 -63.3 -18.4 26.5 64.4 19.9 69 70 A E T >> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.1 3,-1.1 0.284 71.0 110.2 -95.0 9.0 28.9 66.9 21.5 70 71 A S H <> S+ 0 0 2 -3,-2.1 4,-3.0 1,-0.3 5,-0.2 0.826 70.8 61.9 -55.0 -31.8 28.4 69.5 18.7 71 72 A V H 3> S+ 0 0 31 -3,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.881 106.3 46.0 -61.6 -38.2 26.5 71.7 21.2 72 73 A V H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.923 112.7 48.1 -70.6 -45.8 29.7 71.9 23.3 73 74 A H H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.945 111.8 51.5 -59.6 -47.3 31.9 72.6 20.3 74 75 A R H X S+ 0 0 33 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 109.8 48.3 -56.1 -46.1 29.5 75.3 19.1 75 76 A E H X S+ 0 0 9 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.886 109.3 53.5 -64.3 -38.6 29.4 77.0 22.5 76 77 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 6,-0.5 0.916 111.7 45.0 -62.4 -42.5 33.2 77.0 22.7 77 78 A Y H < S+ 0 0 6 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.869 113.4 51.4 -70.0 -34.1 33.5 78.7 19.3 78 79 A R H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.955 121.3 31.0 -64.9 -50.5 30.8 81.2 20.3 79 80 A R H < S+ 0 0 109 -4,-2.8 2,-0.2 -5,-0.1 -2,-0.2 0.580 120.8 41.6 -88.2 -12.4 32.4 82.2 23.5 80 81 A T S < S- 0 0 26 -4,-1.9 60,-0.1 -5,-0.2 57,-0.0 -0.756 77.9-114.5-129.5 177.0 36.1 81.8 22.8 81 82 A G + 0 0 59 -2,-0.2 -4,-0.1 59,-0.1 -3,-0.1 0.161 60.4 150.0 -95.6 18.0 38.7 82.4 20.1 82 83 A A - 0 0 4 -6,-0.5 75,-0.2 1,-0.2 3,-0.1 -0.205 30.4-172.1 -53.3 139.0 39.3 78.7 19.7 83 84 A R S S+ 0 0 115 73,-3.1 -52,-2.6 1,-0.4 2,-0.3 0.488 73.2 10.4-108.3 -12.5 40.3 77.7 16.1 84 85 A A E -AD 30 156A 0 72,-1.2 72,-2.3 -54,-0.3 2,-0.4 -0.973 63.8-156.9-162.0 152.4 40.1 74.0 16.8 85 86 A L E -AD 29 155A 0 -56,-2.4 -56,-2.3 -2,-0.3 2,-0.5 -0.998 2.1-167.6-139.9 135.8 38.8 71.6 19.5 86 87 A V E -AD 28 154A 0 68,-2.2 68,-1.8 -2,-0.4 2,-0.5 -0.989 1.8-169.8-124.1 126.1 39.6 68.0 20.4 87 88 A H E +AD 27 153A 0 -60,-3.0 -60,-1.9 -2,-0.5 2,-0.2 -0.974 24.4 153.9-113.8 121.6 37.5 66.0 22.8 88 89 A A E - D 0 152A 0 64,-1.8 64,-2.2 -2,-0.5 -67,-0.2 -0.785 45.9-118.5-137.2-178.9 39.1 62.7 23.8 89 90 A H - 0 0 44 -69,-2.4 2,-0.5 -2,-0.2 62,-0.1 -0.530 24.8-172.8-127.5 67.3 39.1 60.2 26.7 90 91 A P > - 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.459 16.9-149.9 -62.3 111.9 42.6 60.1 28.2 91 92 A R H > S+ 0 0 165 -2,-0.5 4,-2.2 -72,-0.4 5,-0.2 0.881 89.0 42.4 -56.3 -49.8 42.2 57.2 30.6 92 93 A V H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 114.9 51.0 -67.3 -41.3 44.7 58.1 33.3 93 94 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.898 111.1 49.4 -60.8 -39.5 43.6 61.8 33.3 94 95 A V H X S+ 0 0 21 -4,-2.5 4,-0.7 2,-0.2 55,-0.5 0.902 109.5 50.9 -67.6 -38.9 40.0 60.7 33.6 95 96 A A H >< S+ 0 0 49 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.930 112.4 46.9 -63.4 -43.2 40.8 58.4 36.5 96 97 A L H >X S+ 0 0 25 -4,-2.6 3,-1.4 1,-0.2 4,-1.0 0.792 97.1 73.9 -68.5 -25.8 42.6 61.3 38.2 97 98 A S H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 90.5 57.1 -59.7 -26.2 39.7 63.7 37.5 98 99 A F T << S+ 0 0 116 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.766 113.7 40.7 -74.6 -22.3 37.7 61.9 40.2 99 100 A H T <4 S+ 0 0 159 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.482 110.9 56.3-103.8 -6.9 40.4 62.8 42.7 100 101 A L < - 0 0 62 -4,-1.0 3,-0.1 -3,-0.1 0, 0.0 -0.917 51.8-156.8-129.8 155.2 41.4 66.4 41.7 101 102 A S S S+ 0 0 86 1,-0.4 18,-2.4 -2,-0.3 2,-0.3 0.583 95.5 9.8 -97.8 -16.6 39.8 69.7 41.3 102 103 A R E S-H 118 0C 118 16,-0.3 2,-0.6 43,-0.0 -1,-0.4 -0.958 73.2-132.1-159.4 141.2 42.6 70.7 39.0 103 104 A L E -H 117 0C 0 14,-3.2 14,-2.6 -2,-0.3 76,-0.1 -0.878 20.1-170.2-102.6 120.6 45.5 68.8 37.4 104 105 A R - 0 0 142 -2,-0.6 12,-0.1 12,-0.2 7,-0.1 -0.905 20.4-132.5-112.8 107.0 48.9 70.5 37.7 105 106 A P - 0 0 5 0, 0.0 74,-0.1 0, 0.0 73,-0.1 -0.167 11.0-159.6 -56.6 146.8 51.6 68.8 35.6 106 107 A L S S+ 0 0 85 72,-0.3 2,-0.2 5,-0.0 72,-0.0 0.681 70.4 82.0 -95.6 -26.1 55.0 68.0 37.1 107 108 A D S > S- 0 0 31 1,-0.1 4,-2.5 71,-0.1 5,-0.2 -0.527 83.9-122.3 -85.6 149.9 56.8 67.8 33.8 108 109 A L H > S+ 0 0 140 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 109.8 52.5 -55.5 -47.7 58.1 70.8 31.8 109 110 A E H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.939 113.3 44.9 -56.1 -47.1 56.1 70.1 28.7 110 111 A G H >>S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-1.8 0.896 113.1 49.5 -65.3 -40.7 52.9 69.9 30.7 111 112 A Q H <5S+ 0 0 97 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.891 115.5 45.0 -66.7 -36.3 53.6 73.0 32.7 112 113 A H H <5S+ 0 0 127 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 124.2 28.8 -72.9 -48.8 54.5 75.0 29.6 113 114 A Y H <5S+ 0 0 113 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.827 137.1 21.8 -83.1 -35.1 51.6 74.0 27.3 114 115 A L T <5 - 0 0 7 -4,-2.1 2,-2.6 -5,-0.4 29,-0.3 0.811 69.8-179.4-102.1 -38.8 48.8 73.3 29.9 115 116 A K S S- 0 0 35 1,-0.1 4,-3.5 -59,-0.0 -1,-0.2 -0.832 70.1-136.7-110.9 146.8 24.4 69.1 27.5 129 130 A E H > S+ 0 0 81 -2,-0.3 4,-3.5 2,-0.2 5,-0.3 0.683 108.1 66.5 -67.8 -17.5 24.4 72.9 27.6 130 131 A E H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.993 110.5 32.3 -62.2 -62.0 25.5 72.3 31.2 131 132 A A H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.927 118.5 58.3 -59.1 -45.4 28.7 70.8 29.9 132 133 A A H X S+ 0 0 0 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.927 111.9 38.1 -51.3 -53.5 28.5 73.2 26.9 133 134 A L H X S+ 0 0 71 -4,-3.5 4,-2.8 2,-0.2 5,-0.3 0.940 119.1 46.7 -66.4 -48.5 28.5 76.3 29.1 134 135 A S H X S+ 0 0 39 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.933 115.5 46.1 -58.7 -49.5 30.9 75.1 31.7 135 136 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 -5,-0.3 -1,-0.2 0.938 113.9 47.9 -59.9 -50.0 33.4 73.9 29.1 136 137 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.4 -2,-0.2 0.943 113.1 47.4 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-0.912 8.9-149.5-112.0 138.4 38.7 67.9 32.2 147 148 A L E >> -eF 120 151A 0 4,-3.0 3,-3.0 -2,-0.4 4,-0.9 -0.936 39.6-108.6-105.4 110.6 35.1 66.8 32.6 148 149 A R T 34 S- 0 0 89 -28,-3.1 -54,-0.1 -2,-0.7 -53,-0.1 -0.098 95.2 -5.4 -45.1 122.7 35.0 64.6 35.7 149 150 A G T 34 S+ 0 0 37 -55,-0.5 -1,-0.3 1,-0.1 -55,-0.1 0.492 129.2 67.5 71.7 2.5 34.4 61.0 34.6 150 151 A H T <4 S- 0 0 40 -3,-3.0 2,-0.2 1,-0.3 -2,-0.2 0.699 97.0 -91.0-114.8 -70.3 33.9 61.8 31.0 151 152 A G E < - F 0 147A 0 -4,-0.9 -4,-3.0 -62,-0.1 -1,-0.3 -0.822 38.9 -79.3-175.8-145.9 37.0 63.1 29.2 152 153 A A E -DF 88 146A 0 -64,-2.2 -64,-1.8 -6,-0.3 2,-0.4 -0.963 18.1-145.1-145.9 160.8 38.8 66.3 28.3 153 154 A F E -DF 87 145A 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.4 -0.974 14.2-173.7-127.1 139.5 38.8 69.2 25.8 154 155 A A E -DF 86 144A 0 -68,-1.8 -68,-2.2 -2,-0.4 2,-0.3 -0.997 13.5-142.6-134.7 139.7 41.9 70.9 24.4 155 156 A V E -D 85 0A 4 -12,-3.1 2,-0.4 -2,-0.4 -70,-0.2 -0.779 3.1-153.2-108.2 148.4 41.9 74.0 22.2 156 157 A G E -D 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-4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.889 112.5 49.6 -69.4 -41.5 52.7 58.9 43.0 187 188 A L H X S+ 0 0 104 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.891 110.4 50.7 -66.6 -39.6 52.8 55.1 42.8 188 189 A W H < S+ 0 0 216 -4,-2.4 3,-0.3 -5,-0.2 4,-0.2 0.942 114.3 44.5 -61.5 -47.3 56.6 55.0 43.0 189 190 A Q H >< S+ 0 0 138 -4,-1.9 3,-1.3 -5,-0.3 -2,-0.2 0.901 111.8 53.3 -63.4 -41.2 56.5 57.2 46.1 190 191 A G H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 103.5 56.3 -66.6 -27.0 53.7 55.2 47.6 191 192 A A T 3< S+ 0 0 82 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.423 103.2 123.7 -85.7 0.0 55.5 51.9 47.2 192 193 A G < + 0 0 34 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.0 -0.532 16.6 70.1-106.0 177.5 58.5 53.2 49.3 193 194 A P + 0 0 135 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 0.550 60.4 163.4 -68.6 154.4 60.5 53.5 51.4 194 195 A A 0 0 91 -2,-0.2 -2,-0.1 1,-0.0 -3,-0.0 -0.520 360.0 360.0-145.1 71.9 62.3 50.4 49.9 195 196 A L 0 0 224 -2,-0.1 -3,-0.0 0, 0.0 -1,-0.0 -0.382 360.0 360.0 -84.2 360.0 65.9 50.1 51.2 196 !* 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 0.0 197 2 B R > 0 0 146 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -50.4 13.0 82.4 -21.1 198 3 B A H > + 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.939 360.0 44.0 -52.8 -53.0 10.4 85.1 -21.9 199 4 B R H > S+ 0 0 178 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 113.8 51.2 -60.1 -42.6 7.9 83.6 -19.5 200 5 B L H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 109.0 49.3 -63.4 -44.0 10.6 83.1 -16.8 201 6 B Y H X S+ 0 0 41 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.897 108.5 56.4 -59.5 -38.2 11.8 86.7 -17.2 202 7 B A H X S+ 0 0 44 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.896 104.3 51.5 -59.4 -42.8 8.1 87.6 -16.8 203 8 B A H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.923 112.2 46.2 -61.9 -44.2 7.9 85.8 -13.5 204 9 B F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.941 114.0 48.0 -63.0 -47.6 11.0 87.7 -12.2 205 10 B R H X S+ 0 0 119 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.937 113.7 47.8 -58.1 -45.9 9.6 91.0 -13.4 206 11 B Q H X S+ 0 0 94 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.920 111.5 48.9 -61.9 -47.4 6.2 90.3 -11.9 207 12 B V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.923 112.7 48.6 -61.8 -43.6 7.7 89.2 -8.5 208 13 B G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.956 113.8 47.0 -61.0 -47.8 9.8 92.3 -8.4 209 14 B E H X S+ 0 0 84 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.905 116.1 43.4 -60.8 -43.7 6.8 94.5 -9.3 210 15 B D H X S+ 0 0 57 -4,-3.1 4,-1.8 2,-0.2 6,-0.2 0.860 111.9 52.7 -72.4 -35.3 4.5 92.9 -6.7 211 16 B L H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.3 6,-1.0 0.921 114.4 43.6 -64.9 -43.4 7.1 92.8 -3.9 212 17 B F H ><5S+ 0 0 96 -4,-2.2 3,-2.5 -5,-0.3 -2,-0.2 0.964 110.5 54.5 -64.8 -51.7 7.8 96.5 -4.4 213 18 B A H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 110.9 46.4 -51.2 -37.4 4.1 97.4 -4.7 214 19 B Q T 3<5S- 0 0 95 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.348 117.3-112.7 -89.6 5.2 3.4 95.7 -1.4 215 20 B G T < 5S+ 0 0 10 -3,-2.5 72,-0.4 2,-0.2 -3,-0.2 0.680 82.2 123.3 74.3 18.5 6.3 97.3 0.3 216 21 B L S - 0 0 49 -2,-0.3 3,-2.4 -3,-0.1 2,-0.3 -0.979 59.4 -12.8-155.6 147.7 12.2 99.2 -2.3 219 24 B A T 3 S- 0 0 58 -2,-0.3 22,-0.9 1,-0.3 23,-0.4 -0.306 128.1 -25.3 60.3-121.1 15.0 100.5 -4.3 220 25 B T T 3 S+ 0 0 64 -2,-0.3 18,-0.3 20,-0.2 -1,-0.3 0.369 100.3 124.2-106.4 5.4 17.6 97.9 -4.6 221 26 B A < + 0 0 37 -3,-2.4 20,-0.2 17,-0.1 64,-0.1 -0.360 59.1 22.1 -69.0 144.7 16.8 95.9 -1.5 222 27 B G - 0 0 5 62,-0.1 2,-0.3 -5,-0.1 62,-0.2 -0.042 60.6-150.4 89.4 168.3 16.2 92.2 -1.9 223 28 B N E -I 283 0D 8 60,-1.9 60,-3.1 40,-0.1 2,-0.3 -0.954 5.7-162.4-171.0 155.8 17.0 89.6 -4.5 224 29 B F E +I 282 0D 1 -2,-0.3 11,-1.5 58,-0.2 2,-0.3 -0.986 7.1 178.3-149.5 160.4 15.6 86.4 -6.0 225 30 B S E -IJ 281 234D 0 56,-2.4 56,-2.3 -2,-0.3 2,-0.3 -0.959 17.5-140.8-154.4 169.8 16.5 83.4 -8.0 226 31 B V E -IJ 280 233D 0 7,-1.5 7,-2.5 -2,-0.3 54,-0.3 -0.979 33.3-106.3-136.8 146.2 15.5 80.1 -9.5 227 32 B R E - J 0 232D 60 52,-2.8 5,-0.3 -2,-0.3 2,-0.2 -0.545 43.1-172.5 -71.3 134.8 17.4 76.9 -9.8 228 33 B T - 0 0 26 3,-3.5 3,-0.2 -2,-0.2 -1,-0.0 -0.766 40.3 -97.8-123.7 171.6 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110.9 43.3 -62.4 -50.0 5.2 85.9 6.1 372 177 B E H X S+ 0 0 9 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.904 114.3 51.7 -64.9 -38.6 4.8 89.7 6.2 373 178 B E H X S+ 0 0 79 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.922 110.8 47.7 -62.7 -42.6 1.0 89.3 6.4 374 179 B S H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -72,-0.3 0.897 111.8 50.5 -65.3 -38.2 1.3 86.9 9.3 375 180 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 110.7 49.2 -65.5 -42.1 3.8 89.3 11.0 376 181 B Q H X S+ 0 0 61 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.927 110.6 49.9 -63.1 -43.3 1.3 92.2 10.6 377 182 B I H X S+ 0 0 70 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.911 109.7 51.5 -61.5 -42.5 -1.6 90.1 12.0 378 183 B L H X S+ 0 0 29 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.920 113.0 46.0 -59.7 -43.3 0.6 89.2 15.0 379 184 B L H X S+ 0 0 52 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.950 113.8 46.3 -65.8 -49.1 1.4 92.9 15.6 380 185 B Y H X S+ 0 0 140 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.888 112.2 52.3 -61.0 -39.3 -2.2 94.1 15.2 381 186 B H H X S+ 0 0 113 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.927 113.1 44.3 -62.2 -45.6 -3.5 91.3 17.4 382 187 B R H X S+ 0 0 191 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.897 112.9 50.1 -67.8 -42.3 -1.0 92.3 20.1 383 188 B L H X S+ 0 0 102 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.905 110.3 50.1 -65.4 -39.7 -1.6 96.0 19.9 384 189 B W H < S+ 0 0 216 -4,-2.2 4,-0.3 -5,-0.2 3,-0.2 0.937 114.2 45.2 -62.5 -46.5 -5.4 95.6 20.1 385 190 B Q H >< S+ 0 0 141 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.904 111.8 52.2 -64.0 -42.2 -4.9 93.4 23.2 386 191 B G H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 103.5 58.2 -66.4 -25.9 -2.4 95.8 24.7 387 192 B A T 3< S+ 0 0 78 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.472 104.1 119.9 -83.2 -3.1 -4.8 98.7 24.3 388 193 B G < + 0 0 34 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.0 -0.448 16.6 77.7-103.8-177.6 -7.5 97.0 26.4 389 194 B P 0 0 140 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 0.493 360.0 360.0 -70.2 147.2 -9.4 96.4 28.4 390 195 B A 0 0 140 -2,-0.2 -2,-0.1 0, 0.0 -3,-0.0 -0.913 360.0 360.0 179.8 360.0 -11.7 98.9 26.7