==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, HYDROLASE 22-JUL-11 3T2C . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE/PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPROTEUS NEUTROPHILUS; . AUTHOR J.DU,R.SAY,W.LUE,G.FUCHS,O.EINSLE . 389 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 73.5 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 . 90 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 2 0.5 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 . 30 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 2 0 1 1 0 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 . 3 0 3 1 1 1 4 1 1 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 1 0 1 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 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 M 0 0 79 0, 0.0 119,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.9 -26.5 29.3 34.7 2 2 A R E -A 119 0A 129 117,-0.3 2,-0.3 59,-0.1 117,-0.3 -0.689 360.0-178.6 -87.8 134.8 -28.8 27.0 32.6 3 3 A V E -A 118 0A 0 115,-2.8 115,-2.4 -2,-0.4 2,-0.4 -0.954 20.3-143.9-131.4 151.1 -32.4 28.0 32.4 4 4 A T E -AB 117 60A 2 56,-3.0 56,-2.1 -2,-0.3 2,-0.5 -0.961 9.3-161.8-112.4 135.6 -35.5 26.5 30.8 5 5 A V E -AB 116 59A 2 111,-2.6 111,-2.2 -2,-0.4 2,-0.4 -0.990 15.5-177.9-113.1 122.2 -38.2 28.8 29.4 6 6 A S E -AB 115 58A 0 52,-2.7 52,-3.0 -2,-0.5 2,-0.5 -0.989 18.1-166.9-125.4 132.1 -41.6 27.1 28.9 7 7 A I E +AB 114 57A 0 107,-3.1 107,-2.2 -2,-0.4 2,-0.5 -0.972 11.6 179.8-109.8 121.7 -44.8 28.4 27.4 8 8 A I E -AB 113 56A 0 48,-2.4 48,-2.4 -2,-0.5 2,-0.3 -0.995 12.0-177.7-123.2 124.3 -47.7 26.1 28.2 9 9 A K E +AB 112 55A 1 103,-2.5 103,-2.2 -2,-0.5 2,-0.3 -0.935 11.1 163.0-127.9 145.8 -51.0 27.4 26.7 10 10 A A E - B 0 54A 0 44,-2.3 44,-2.4 -2,-0.3 2,-0.6 -0.988 34.2-129.5-157.7 151.4 -54.6 26.3 26.7 11 11 A D + 0 0 0 -2,-0.3 85,-2.7 42,-0.2 86,-0.2 -0.929 30.7 165.9 -94.2 118.7 -58.2 27.6 26.1 12 12 A V - 0 0 0 -2,-0.6 82,-2.0 1,-0.4 2,-0.1 0.113 66.0 -23.3-120.3 18.3 -60.3 26.7 29.1 13 13 A G - 0 0 0 39,-0.4 -1,-0.4 80,-0.3 9,-0.3 -0.386 59.4-125.6 142.6 144.7 -63.2 29.0 28.3 14 14 A G B -F 91 0B 1 77,-2.4 77,-2.0 3,-0.2 3,-0.5 -0.710 16.4-125.9-116.5 163.1 -64.2 32.1 26.4 15 15 A F S S- 0 0 90 5,-1.8 2,-0.1 1,-0.7 3,-0.1 -0.807 100.7 -4.4-150.5 89.5 -65.9 35.3 27.3 16 16 A P S > S- 0 0 101 0, 0.0 3,-2.4 0, 0.0 -1,-0.7 0.706 131.1 -47.6 -85.5 164.1 -68.2 35.5 25.4 17 17 A G T 3 S- 0 0 26 -3,-0.5 74,-0.2 1,-0.3 3,-0.2 -0.340 113.8 -34.5 58.2-128.5 -68.0 32.7 22.9 18 18 A H T 3 S+ 0 0 34 -4,-0.2 34,-0.5 1,-0.1 -1,-0.3 0.063 113.8 102.9-107.5 22.1 -64.4 32.4 21.6 19 19 A A S < S- 0 0 19 -3,-2.4 274,-2.1 32,-0.1 2,-0.3 0.738 88.4 -30.7 -78.5 -30.4 -63.8 36.2 21.7 20 20 A H - 0 0 22 -4,-0.2 -5,-1.8 -3,-0.2 2,-0.3 -0.948 63.7 -91.0-170.5 178.9 -61.7 36.6 24.8 21 21 A V - 0 0 3 30,-0.3 -7,-0.1 -2,-0.3 32,-0.1 -0.744 38.5-106.9-111.1 159.5 -60.9 35.3 28.3 22 22 A H >> - 0 0 26 -9,-0.3 3,-1.9 -2,-0.3 4,-0.8 -0.771 28.3-130.5 -80.1 134.0 -62.5 36.4 31.6 23 23 A P H 3> S+ 0 0 54 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.814 103.9 65.7 -64.0 -24.8 -60.0 38.4 33.6 24 24 A K H 3> S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.793 94.2 61.8 -66.7 -20.4 -60.5 36.3 36.7 25 25 A M H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 106.2 43.8 -68.3 -41.2 -59.0 33.4 34.8 26 26 A L H X S+ 0 0 1 -4,-0.8 4,-2.6 -3,-0.4 -2,-0.2 0.888 113.0 51.5 -67.0 -40.7 -55.7 35.3 34.4 27 27 A E H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 111.3 48.3 -62.8 -40.8 -55.8 36.4 38.0 28 28 A Y H X S+ 0 0 70 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.942 112.8 47.4 -64.8 -47.5 -56.4 32.8 39.2 29 29 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 111.7 50.2 -61.2 -43.3 -53.5 31.5 37.1 30 30 A A H X S+ 0 0 7 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.905 110.7 49.7 -63.1 -42.0 -51.1 34.2 38.2 31 31 A A H X S+ 0 0 61 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.899 110.8 49.9 -64.5 -40.4 -52.0 33.5 41.9 32 32 A K H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.917 112.2 46.6 -64.9 -43.9 -51.4 29.8 41.3 33 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.866 107.3 57.9 -69.8 -30.7 -48.0 30.4 39.7 34 34 A K H X S+ 0 0 132 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.902 107.3 48.6 -63.0 -39.7 -47.0 32.8 42.4 35 35 A E H X S+ 0 0 81 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.902 110.1 50.8 -66.5 -43.7 -47.6 30.0 44.9 36 36 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 6,-0.6 0.893 110.0 50.6 -58.3 -40.6 -45.5 27.6 42.7 37 37 A Q H ><5S+ 0 0 59 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.932 107.8 52.7 -62.6 -45.3 -42.7 30.3 42.7 38 38 A K H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 110.3 48.4 -60.8 -35.8 -42.9 30.6 46.5 39 39 A R T 3<5S- 0 0 137 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.412 117.5-113.6 -82.8 -2.8 -42.5 26.8 46.8 40 40 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.549 81.7 124.3 80.9 16.2 -39.5 26.8 44.4 41 41 A V S S-C 53 0A 0 3,-1.5 3,-1.8 -2,-0.3 242,-0.1 -0.978 79.6 -38.3-126.7 121.0 -54.5 36.5 23.0 51 51 A G T 3 S- 0 0 0 240,-2.2 -30,-0.3 -2,-0.4 239,-0.2 -0.379 126.6 -21.8 61.4-134.7 -58.1 36.0 22.2 52 52 A D T 3 S+ 0 0 1 -34,-0.5 2,-0.5 -32,-0.2 -39,-0.4 0.257 113.9 100.4 -96.1 15.8 -59.5 33.0 24.2 53 53 A D E < - C 0 50A 4 -3,-1.8 -3,-1.5 -42,-0.2 2,-0.6 -0.891 58.1-150.2-111.3 129.7 -56.1 31.3 24.8 54 54 A I E -BC 10 49A 2 -44,-2.4 -44,-2.3 -2,-0.5 2,-0.5 -0.836 9.4-158.8 -96.8 116.9 -54.2 31.6 28.1 55 55 A S E -BC 9 48A 0 -7,-3.1 -7,-1.9 -2,-0.6 2,-0.7 -0.846 4.3-160.3 -96.3 131.5 -50.4 31.4 27.9 56 56 A L E -BC 8 47A 0 -48,-2.4 -48,-2.4 -2,-0.5 2,-0.6 -0.938 9.9-166.9-104.6 101.7 -48.5 30.4 31.1 57 57 A L E +BC 7 46A 0 -11,-2.7 -11,-2.2 -2,-0.7 2,-0.4 -0.850 15.2 177.2 -91.9 125.5 -44.9 31.6 30.5 58 58 A M E -BC 6 45A 0 -52,-3.0 -52,-2.7 -2,-0.6 2,-0.4 -0.994 22.0-157.8-133.8 134.0 -42.6 29.9 33.2 59 59 A T E +BC 5 44A 0 -15,-2.4 -16,-2.6 -2,-0.4 -15,-1.2 -0.890 33.4 136.9-110.1 143.5 -38.9 30.0 33.8 60 60 A H E -B 4 0A 0 -56,-2.1 -56,-3.0 -2,-0.4 3,-0.2 -0.944 56.6-115.4-167.1 179.1 -37.4 27.2 35.8 61 61 A T S S+ 0 0 89 -20,-0.3 -19,-0.1 -2,-0.3 -59,-0.1 0.049 82.0 99.8-124.6 28.1 -34.4 24.8 36.0 62 62 A K S S- 0 0 70 1,-0.2 -1,-0.1 -21,-0.1 6,-0.1 0.464 80.5-125.8 -94.9 -2.8 -36.2 21.5 35.5 63 63 A G > - 0 0 19 -3,-0.2 3,-0.6 53,-0.1 -1,-0.2 -0.054 39.7 -46.0 83.0 172.1 -35.5 21.1 31.8 64 64 A E T 3 S+ 0 0 72 1,-0.2 -58,-0.0 51,-0.1 5,-0.0 -0.361 121.0 21.3 -73.2 153.8 -37.7 20.5 28.8 65 65 A D T 3 S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.849 84.3 168.1 60.7 36.4 -40.5 17.9 28.9 66 66 A N <> - 0 0 36 -3,-0.6 4,-2.8 1,-0.1 5,-0.3 -0.689 35.5-146.1 -93.0 130.9 -40.6 18.0 32.7 67 67 A K H > S+ 0 0 132 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.805 97.7 52.9 -63.7 -32.3 -43.5 16.3 34.5 68 68 A D H > S+ 0 0 90 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.888 114.0 41.8 -68.5 -45.6 -43.6 18.8 37.3 69 69 A I H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.944 117.9 45.6 -66.1 -48.6 -43.8 21.8 35.0 70 70 A H H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.899 115.1 49.0 -60.4 -41.7 -46.2 20.2 32.6 71 71 A G H X S+ 0 0 16 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.870 106.6 54.9 -66.0 -39.7 -48.3 19.0 35.6 72 72 A L H X S+ 0 0 13 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.943 111.7 45.6 -60.4 -41.6 -48.3 22.5 37.2 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.950 113.0 49.6 -67.8 -47.0 -49.7 23.8 33.9 74 74 A W H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.941 112.7 46.9 -55.6 -49.1 -52.3 21.0 33.7 75 75 A E H X S+ 0 0 92 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.881 110.6 52.1 -62.1 -41.8 -53.4 21.5 37.2 76 76 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.945 112.1 46.4 -59.3 -45.0 -53.6 25.3 36.7 77 77 A F H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 112.4 50.2 -63.9 -40.7 -55.8 24.8 33.7 78 78 A K H X S+ 0 0 67 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.918 112.7 46.8 -64.8 -41.3 -58.0 22.2 35.4 79 79 A E H X S+ 0 0 52 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.913 111.3 49.9 -69.9 -41.6 -58.5 24.6 38.4 80 80 A V H X>S+ 0 0 1 -4,-2.8 5,-2.4 -5,-0.2 4,-2.1 0.923 112.8 50.0 -58.1 -43.1 -59.3 27.6 36.2 81 81 A T H <>S+ 0 0 7 -4,-2.2 5,-3.0 3,-0.2 6,-0.3 0.951 118.4 36.5 -54.4 -57.5 -61.8 25.3 34.4 82 82 A D H <5S+ 0 0 74 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.886 125.5 37.1 -69.9 -40.7 -63.4 24.1 37.6 83 83 A Q H <5S+ 0 0 109 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.733 134.7 10.3 -85.0 -31.7 -63.3 27.3 39.6 84 84 A I T X5S+ 0 0 16 -4,-2.1 4,-2.4 -5,-0.4 6,-0.2 0.708 125.1 45.8-117.4 -64.2 -63.9 30.0 37.1 85 85 A A T 4XS+ 0 0 0 -5,-2.4 5,-2.6 1,-0.2 4,-0.4 0.939 118.7 41.4 -60.7 -44.8 -65.0 28.6 33.7 86 86 A K T >4 < - 0 0 17 -5,-2.6 3,-1.2 -6,-0.2 2,-0.4 -0.153 29.9 -89.9 -65.6 160.3 -68.0 30.2 30.0 91 91 A Y B 3 S+F 14 0B 143 -77,-2.0 -77,-2.4 1,-0.3 4,-0.2 -0.512 110.4 7.6 -82.5 131.1 -68.1 29.1 26.4 92 92 A G T > S- 0 0 24 -2,-0.4 3,-2.6 -79,-0.2 -1,-0.3 0.931 85.2-161.7 66.5 39.2 -66.0 26.0 25.7 93 93 A A T < S+ 0 0 42 -3,-1.2 -80,-0.3 1,-0.3 -1,-0.2 -0.361 80.9 3.7 -53.5 125.0 -65.3 25.5 29.4 94 94 A G T > S+ 0 0 14 -82,-2.0 3,-2.1 -17,-0.1 -1,-0.3 0.732 89.5 162.9 67.4 26.2 -62.2 23.3 29.5 95 95 A Q T < + 0 0 29 -3,-2.6 -83,-0.2 1,-0.3 -2,-0.1 0.798 68.5 37.3 -48.9 -47.2 -62.1 23.5 25.6 96 96 A D T 3 S+ 0 0 0 -85,-2.7 2,-1.5 -4,-0.2 -1,-0.3 0.360 83.3 101.1 -97.1 8.6 -58.5 22.3 25.2 97 97 A L < + 0 0 29 -3,-2.1 13,-0.2 -86,-0.2 -1,-0.1 -0.714 46.5 162.5 -90.0 87.5 -58.3 19.7 27.9 98 98 A L + 0 0 54 11,-2.5 2,-0.3 -2,-1.5 12,-0.2 0.680 53.8 47.2 -90.5 -15.7 -58.9 16.8 25.3 99 99 A K - 0 0 118 10,-1.1 3,-0.1 -3,-0.2 10,-0.1 -0.850 67.3-146.5-126.7 159.1 -57.7 13.9 27.3 100 100 A D S S+ 0 0 138 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.816 76.0 66.9 -91.6 -36.3 -58.6 12.9 30.9 101 101 A A - 0 0 75 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 -0.821 62.1-155.7-110.0 110.2 -55.4 11.3 32.2 102 102 A F + 0 0 63 -2,-0.7 4,-0.1 1,-0.1 -31,-0.0 -0.760 18.9 171.6 -81.5 117.3 -52.2 13.4 32.8 103 103 A S - 0 0 119 -2,-0.6 -1,-0.1 2,-0.4 3,-0.1 0.147 66.4 -67.7-115.1 17.6 -49.4 10.8 32.6 104 104 A G S S+ 0 0 12 -37,-0.1 2,-0.4 1,-0.1 -34,-0.2 0.142 112.9 63.8 127.0 -25.8 -46.4 13.1 32.7 105 105 A N - 0 0 45 2,-0.1 -2,-0.4 -35,-0.1 -1,-0.1 -0.996 58.9-152.0-133.3 135.1 -46.3 15.1 29.4 106 106 A I > + 0 0 0 -2,-0.4 3,-1.9 -4,-0.1 4,-0.3 0.660 64.6 109.0 -80.5 -13.3 -48.9 17.6 28.4 107 107 A R T 3 S+ 0 0 104 1,-0.3 -2,-0.1 2,-0.1 5,-0.1 -0.365 82.1 24.4 -65.7 137.9 -48.2 17.0 24.6 108 108 A G T 3 S+ 0 0 19 3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.371 102.5 89.0 88.7 -4.5 -51.0 15.2 22.9 109 109 A M S < S- 0 0 7 -3,-1.9 -11,-2.5 2,-0.3 -10,-1.1 0.491 107.6 -96.1-100.0 -7.3 -53.6 16.3 25.6 110 110 A G S S+ 0 0 0 1,-0.4 -13,-0.2 -4,-0.3 112,-0.1 -0.408 89.1 106.9 117.9 -43.5 -54.6 19.5 23.8 111 111 A P - 0 0 0 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.232 68.6-120.5 -65.7 148.6 -52.5 22.3 25.5 112 112 A Q E -A 9 0A 0 -103,-2.2 -103,-2.5 122,-0.2 2,-0.4 -0.693 27.0-165.4 -90.8 145.1 -49.8 23.8 23.4 113 113 A V E +A 8 0A 13 -2,-0.3 106,-0.4 -105,-0.2 2,-0.4 -0.991 15.5 171.0-133.6 129.7 -46.1 23.7 24.6 114 114 A A E +A 7 0A 3 -107,-2.2 -107,-3.1 -2,-0.4 2,-0.3 -0.996 20.1 161.9-133.5 129.0 -43.0 25.6 23.4 115 115 A E E -A 6 0A 5 -2,-0.4 2,-0.3 -109,-0.2 -109,-0.2 -0.993 17.9-177.9-145.4 152.6 -39.8 25.2 25.5 116 116 A M E -A 5 0A 4 -111,-2.2 -111,-2.6 -2,-0.3 2,-0.4 -0.997 10.2-157.0-149.7 150.3 -36.1 25.7 25.3 117 117 A E E +A 4 0A 56 -2,-0.3 2,-0.3 -113,-0.2 -113,-0.2 -0.988 30.3 140.5-126.7 136.6 -33.2 25.1 27.7 118 118 A F E -A 3 0A 5 -115,-2.4 -115,-2.8 -2,-0.4 2,-0.5 -0.989 57.5 -80.9-164.2 162.8 -29.9 27.0 27.4 119 119 A E E -A 2 0A 93 -2,-0.3 -117,-0.3 -117,-0.3 2,-0.2 -0.654 57.1-114.3 -72.5 121.5 -27.1 28.6 29.2 120 120 A E - 0 0 18 -119,-2.8 4,-0.1 -2,-0.5 -1,-0.1 -0.391 35.0-132.2 -62.7 126.2 -28.4 32.1 30.0 121 121 A R - 0 0 43 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.203 27.9 -95.1 -79.2 169.3 -26.3 34.6 28.0 122 122 A P S S+ 0 0 149 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.819 124.8 17.2 -58.6 -28.7 -24.7 37.8 29.4 123 123 A S S S- 0 0 71 2,-0.1 -2,-0.1 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125.5 -42.9 44.6 26.8 319 319 A D E > -N 305 0C 22 -2,-0.4 3,-0.7 -14,-0.2 -14,-0.2 -0.568 25.3-171.6 -74.4 111.7 -45.6 44.8 24.0 320 320 A L T 3 S+ 0 0 39 -16,-2.2 -1,-0.2 -2,-0.6 -15,-0.1 0.420 77.2 60.0 -93.2 2.1 -43.5 44.8 20.9 321 321 A F T 3 S+ 0 0 0 -17,-0.4 2,-1.3 -45,-0.2 -1,-0.2 0.255 75.6 109.4-102.7 11.5 -46.3 45.6 18.3 322 322 A D < + 0 0 98 -3,-0.7 -1,-0.1 -46,-0.1 -46,-0.0 -0.649 49.3 100.5 -93.2 84.4 -46.9 48.8 20.1 323 323 A D S >> S- 0 0 83 -2,-1.3 3,-1.5 1,-0.0 4,-0.7 -0.932 78.2-120.0-163.0 136.5 -45.6 51.3 17.5 324 324 A P H >> S+ 0 0 97 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.802 112.3 68.8 -55.2 -25.1 -47.4 53.6 14.9 325 325 A A H 3> S+ 0 0 63 1,-0.3 4,-0.7 2,-0.2 3,-0.4 0.878 99.0 48.8 -59.5 -36.8 -45.3 51.6 12.3 326 326 A F H <> S+ 0 0 21 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.627 94.0 73.7 -79.2 -14.0 -47.4 48.6 13.1 327 327 A D H < S+ 0 0 155 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.949 113.7 43.9 -57.9 -51.9 -61.9 42.1 1.1 340 340 A I H >< S+ 0 0 10 -4,-2.8 3,-2.1 1,-0.3 4,-0.2 0.870 103.3 64.8 -72.1 -30.0 -61.6 38.4 1.6 341 341 A R H >< S+ 0 0 53 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.3 0.769 86.5 72.4 -63.6 -23.7 -64.8 38.0 3.6 342 342 A R T << S+ 0 0 219 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.663 86.1 69.1 -67.9 -12.5 -66.8 39.0 0.5 343 343 A M T < S- 0 0 61 -3,-2.1 3,-0.5 -4,-0.2 -1,-0.3 0.667 82.6-170.8 -72.4 -23.7 -65.9 35.6 -0.9 344 344 A G < - 0 0 16 -3,-1.7 2,-1.4 -4,-0.2 -1,-0.2 -0.184 60.5 -9.4 59.6-144.8 -68.1 33.7 1.6 345 345 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.036 102.2 112.9 -90.4 42.9 -67.7 29.9 1.7 346 346 A F >> - 0 0 143 -2,-1.4 4,-1.8 -3,-0.5 3,-1.4 -0.893 68.5 -79.0-110.9 135.8 -65.5 29.5 -1.4 347 347 A Q T 34 S+ 0 0 100 -2,-0.4 4,-0.1 1,-0.3 -78,-0.0 -0.433 111.1 33.7 -57.6 144.4 -61.9 28.3 -1.5 348 348 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -78,-0.0 -0.987 127.5 43.2 -91.4 3.7 -59.4 29.8 -0.9 349 349 A H T <4 S+ 0 0 0 -3,-1.4 -79,-2.1 -80,-0.1 2,-0.3 0.939 118.0 53.2 -67.0 -47.3 -61.2 31.9 1.7 350 350 A R B < S-Q 269 0D 48 -4,-1.8 -81,-0.3 -81,-0.2 -82,-0.0 -0.650 107.0-106.6 -76.0 147.5 -62.8 28.6 2.8 351 351 A L - 0 0 1 -83,-2.6 -4,-0.1 -2,-0.3 -1,-0.1 -0.202 39.8 -82.7 -76.6 162.8 -60.2 26.0 3.5 352 352 A P >> - 0 0 49 0, 0.0 4,-1.6 0, 0.0 3,-1.4 -0.251 43.5-101.2 -60.5 165.7 -59.4 22.9 1.4 353 353 A P H 3> S+ 0 0 80 0, 0.0 4,-1.6 0, 0.0 -2,-0.1 0.729 116.3 64.8 -65.0 -29.9 -61.4 19.7 1.6 354 354 A E H 34 S+ 0 0 172 1,-0.2 4,-0.2 2,-0.2 -3,-0.0 0.772 109.5 38.7 -67.3 -31.3 -58.8 17.9 3.7 355 355 A E H X4 S+ 0 0 37 -3,-1.4 3,-1.4 2,-0.1 -1,-0.2 0.851 110.9 59.0 -82.9 -30.9 -59.4 20.3 6.6 356 356 A M H >< S+ 0 0 18 -4,-1.6 3,-1.8 1,-0.3 5,-0.3 0.734 89.1 74.5 -65.2 -21.0 -63.1 20.3 5.9 357 357 A E T 3< S+ 0 0 134 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.746 90.9 58.4 -62.2 -23.7 -63.1 16.5 6.5 358 358 A Y T < S+ 0 0 83 -3,-1.4 -129,-3.0 -4,-0.2 -1,-0.3 0.542 100.3 71.0 -79.8 -12.3 -62.7 17.4 10.2 359 359 A T S < S- 0 0 32 -3,-1.8 4,-0.3 -131,-0.2 -92,-0.0 -0.381 98.5-100.9 -95.5-177.8 -65.9 19.4 10.3 360 360 A A S >> S+ 0 0 40 1,-0.2 4,-1.5 2,-0.1 3,-0.6 0.545 97.7 94.7 -78.1 -6.9 -69.5 18.4 10.0 361 361 A L H 3> S+ 0 0 51 -5,-0.3 4,-2.3 1,-0.3 3,-0.2 0.887 78.4 53.1 -61.7 -46.3 -69.7 19.3 6.3 362 362 A P H 3> S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.838 107.4 58.1 -57.0 -37.8 -68.9 15.8 4.8 363 363 A K H <> S+ 0 0 153 -3,-0.6 4,-0.6 -4,-0.3 -2,-0.2 0.913 108.1 42.8 -37.5 -66.8 -71.8 14.6 7.0 364 364 A I H >< S+ 0 0 107 -4,-1.5 3,-1.0 -3,-0.2 -1,-0.2 0.934 115.9 47.9 -56.8 -46.3 -74.2 16.9 5.5 365 365 A L H >< S+ 0 0 97 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.772 96.2 69.7 -75.2 -28.8 -73.1 16.4 1.9 366 366 A A H 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.738 93.8 61.6 -58.2 -26.6 -73.0 12.5 2.1 367 367 A K T << S+ 0 0 93 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.3 0.413 85.2 99.4 -81.6 1.6 -76.9 12.7 2.2 368 368 A V S < S- 0 0 100 -3,-2.0 -3,-0.0 1,-0.0 -4,-0.0 -0.876 77.8-109.7-104.4 140.9 -77.1 14.4 -1.2 369 369 A K - 0 0 78 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.431 30.2-168.5 -84.1 99.6 -77.9 12.5 -4.5 370 370 A P - 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.631 7.7-154.8 -85.4 147.7 -75.3 11.8 -7.3 371 371 A Y - 0 0 119 -2,-0.3 2,-0.1 2,-0.0 5,-0.0 -0.945 32.6-106.0-111.1 136.5 -75.9 10.6 -10.8 372 372 A P > - 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.398 34.1-129.6 -55.6 130.2 -73.1 8.8 -12.7 373 373 A A H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -2,-0.0 0.834 99.7 51.1 -61.7 -37.3 -72.0 11.3 -15.3 374 374 A D H > S+ 0 0 120 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.958 115.1 43.2 -68.0 -41.0 -72.1 9.2 -18.5 375 375 A Q H >> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.899 107.6 60.7 -69.9 -40.0 -75.6 8.1 -17.8 376 376 A Y H 3X S+ 0 0 58 -4,-2.5 4,-1.2 1,-0.2 3,-0.4 0.890 95.5 62.1 -57.6 -38.3 -76.7 11.5 -16.7 377 377 A E H 3< S+ 0 0 107 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.875 106.5 44.8 -56.0 -38.6 -75.8 12.9 -20.1 378 378 A K H << S+ 0 0 133 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.815 121.7 38.8 -66.5 -36.6 -78.4 10.6 -21.8 379 379 A D H X S+ 0 0 57 -4,-1.4 4,-2.7 -3,-0.4 5,-0.2 0.344 81.0 108.2 -98.4 -5.5 -81.1 11.4 -19.1 380 380 A R H X S+ 0 0 102 -4,-1.2 4,-2.8 -3,-0.3 5,-0.3 0.921 78.9 51.0 -49.8 -49.3 -80.4 15.2 -18.6 381 381 A K H > S+ 0 0 139 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.923 111.8 46.5 -57.3 -46.7 -83.6 16.3 -20.3 382 382 A K H > S+ 0 0 86 -4,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 112.7 50.1 -64.7 -34.6 -85.8 14.0 -18.3 383 383 A Y H X S+ 0 0 67 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.922 111.8 47.0 -66.6 -43.1 -84.2 14.9 -15.0 384 384 A I H X S+ 0 0 89 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.944 111.7 50.9 -63.0 -45.1 -84.6 18.6 -15.7 385 385 A E H X S+ 0 0 109 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.890 108.4 54.0 -60.4 -35.4 -88.2 18.1 -16.7 386 386 A A H < S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.1 45.7 -62.8 -43.0 -88.8 16.2 -13.4 387 387 A V H < S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.3 51.9 -63.8 -45.9 -87.4 19.0 -11.4 388 388 A V H < 0 0 115 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.930 360.0 360.0 -57.2 -45.0 -89.5 21.5 -13.4 389 389 A K < 0 0 189 -4,-2.4 0, 0.0 -5,-0.2 0, 0.0 -0.249 360.0 360.0 -83.6 360.0 -92.7 19.6 -12.8