==== 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 23-AUG-07 2V9I . COMPND 2 MOLECULE: RHAMNULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.GRUENINGER,G.E.SCHULZ . 544 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 387 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 16 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 8 0 2 0 0 0 4 2 0 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 6 6 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 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 Q 0 0 138 0, 0.0 2,-0.3 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 146.9 13.4 -13.9 11.3 2 3 A N > - 0 0 86 1,-0.1 3,-1.7 45,-0.0 4,-0.0 -0.525 360.0-129.3 -5.9 105.1 11.0 -15.5 9.3 3 4 A I G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.2 6,-0.4 0.746 110.2 72.7 -53.1 -25.2 12.8 -16.9 6.4 4 5 A T G 3 S+ 0 0 24 1,-0.3 -1,-0.2 5,-0.1 0, 0.0 0.772 95.8 49.9 -65.5 -20.7 10.0 -15.0 4.5 5 6 A Q G < S+ 0 0 102 -3,-1.7 -1,-0.3 4,-0.1 -2,-0.2 0.302 86.7 117.4 -95.3 2.5 11.9 -11.8 5.5 6 7 A S S <> S- 0 0 0 -3,-2.0 4,-2.6 1,-0.1 5,-0.3 -0.304 79.5-112.5 -64.3 157.3 15.3 -13.2 4.3 7 8 A W H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.890 115.7 48.3 -55.9 -38.4 16.9 -11.2 1.4 8 9 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 112.6 45.9 -80.6 -34.8 16.4 -14.1 -1.1 9 10 A V H > S+ 0 0 0 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.960 116.6 45.5 -68.7 -45.3 12.7 -14.7 -0.2 10 11 A Q H X S+ 0 0 83 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.879 112.1 55.1 -58.4 -39.8 12.1 -11.0 -0.4 11 12 A G H X S+ 0 0 15 -4,-2.6 4,-1.6 -5,-0.3 -2,-0.2 0.889 108.1 46.5 -57.1 -49.5 14.2 -11.0 -3.6 12 13 A M H X>S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.7 0.917 112.9 50.2 -64.8 -39.2 12.0 -13.6 -5.2 13 14 A I H X5S+ 0 0 26 -4,-2.4 4,-1.6 2,-0.2 5,-0.3 0.971 108.6 51.1 -62.0 -52.4 8.8 -11.8 -4.2 14 15 A K H X5S+ 0 0 101 -4,-2.9 4,-2.7 3,-0.2 -2,-0.2 0.924 119.8 37.3 -49.8 -42.6 10.0 -8.4 -5.6 15 16 A A H X5S+ 0 0 6 -4,-1.6 4,-4.4 2,-0.3 5,-0.3 0.964 114.2 46.0 -81.6 -49.1 10.8 -10.0 -8.9 16 17 A T H X5S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.946 121.4 49.3 -57.8 -38.3 8.2 -12.6 -9.6 17 18 A T H XS+ 0 0 0 -4,-4.4 5,-2.0 1,-0.2 4,-0.6 0.928 109.0 51.1 -58.2 -38.4 7.5 -9.5 -13.7 20 21 A W H ><5S+ 0 0 96 -4,-2.6 3,-1.1 -5,-0.3 5,-0.3 0.899 108.1 50.9 -65.3 -42.4 3.7 -9.9 -13.1 21 22 A L H 3<5S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.7 59.2 -69.9 -23.8 3.1 -6.1 -13.0 22 23 A K H 3<5S- 0 0 114 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.667 117.0-116.4 -72.2 -18.7 5.0 -5.8 -16.3 23 24 A G T <<5S+ 0 0 44 -3,-1.1 3,-0.3 -4,-0.6 -3,-0.2 0.612 83.4 120.2 86.8 20.1 2.4 -8.2 -17.9 24 25 A W < + 0 0 5 -5,-2.0 118,-3.0 1,-0.2 -4,-0.2 0.434 65.3 50.3 -93.5 -4.7 5.1 -10.8 -18.5 25 26 A D + 0 0 0 -6,-0.3 54,-0.4 -5,-0.3 53,-0.2 -0.423 63.2 174.9-144.5 64.1 3.6 -13.6 -16.5 26 27 A E > - 0 0 98 -3,-0.3 3,-2.8 116,-0.1 52,-0.1 -0.314 68.6 -23.7 -51.8 144.8 -0.1 -14.4 -17.1 27 28 A R T 3 S- 0 0 181 1,-0.3 51,-0.6 50,-0.1 52,-0.3 -0.075 131.4 -25.5 48.8-129.8 -1.3 -17.5 -15.2 28 29 A N T 3 S+ 0 0 59 49,-0.2 -1,-0.3 50,-0.1 47,-0.2 0.191 98.4 137.9-100.1 17.3 1.6 -19.8 -14.4 29 30 A G < + 0 0 8 -3,-2.8 49,-0.3 46,-0.1 113,-0.2 -0.361 52.4 22.9 -67.6 133.7 3.7 -18.5 -17.3 30 31 A G - 0 0 6 111,-0.2 2,-0.3 -2,-0.1 111,-0.2 0.039 63.1-145.1 94.9 157.4 7.3 -18.0 -16.4 31 32 A N E -A 140 0A 11 109,-1.9 109,-3.2 83,-0.1 2,-0.4 -0.960 2.7-156.6-160.0 158.4 9.7 -19.3 -13.8 32 33 A L E -A 139 0A 0 -2,-0.3 40,-1.8 107,-0.2 2,-0.4 -0.988 7.5-175.9-149.1 116.6 12.6 -18.0 -11.7 33 34 A T E -AB 138 71A 0 105,-2.2 105,-2.6 -2,-0.4 2,-0.4 -0.998 6.8-164.8-116.9 141.2 15.4 -20.0 -10.0 34 35 A L E -AB 137 70A 4 36,-2.6 36,-2.4 -2,-0.4 2,-0.6 -0.988 16.2-135.4-129.7 118.9 18.1 -18.4 -7.8 35 36 A R E - B 0 69A 26 101,-3.6 34,-0.3 -2,-0.4 2,-0.2 -0.686 29.5-170.8 -75.5 120.4 21.4 -20.1 -6.8 36 37 A L - 0 0 1 32,-2.8 2,-0.3 -2,-0.6 3,-0.0 -0.524 20.1-120.9-103.7 170.4 22.1 -19.6 -3.1 37 38 A D >> - 0 0 71 -2,-0.2 3,-1.3 30,-0.1 4,-0.9 -0.807 29.2-115.3-102.4 155.2 25.1 -20.3 -0.8 38 39 A D H >> S+ 0 0 60 -2,-0.3 4,-2.2 1,-0.2 3,-0.8 0.895 117.7 62.3 -53.2 -37.9 24.8 -22.5 2.3 39 40 A A H 34 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.718 96.2 59.1 -59.2 -26.9 25.5 -19.3 4.3 40 41 A D H <4 S+ 0 0 33 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.877 116.1 30.7 -69.3 -39.7 22.4 -17.7 3.0 41 42 A I H X< S+ 0 0 5 -4,-0.9 3,-2.1 -3,-0.8 -2,-0.2 0.734 99.4 83.2 -97.4 -22.8 20.0 -20.3 4.3 42 43 A A G >< S+ 0 0 38 -4,-2.2 3,-2.1 1,-0.3 4,-0.2 0.880 87.0 54.6 -51.2 -52.0 22.0 -21.4 7.4 43 44 A P G 3 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.625 111.6 47.1 -62.1 -7.6 20.7 -18.6 9.7 44 45 A Y G X S+ 0 0 32 -3,-2.1 3,-2.6 1,-0.1 4,-0.2 0.154 74.2 119.4-113.3 15.4 17.1 -19.6 8.9 45 46 A H G X + 0 0 19 -3,-2.1 3,-1.5 1,-0.3 -1,-0.1 0.744 66.4 62.1 -63.2 -25.6 17.6 -23.3 9.4 46 47 A D G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.526 91.0 70.3 -78.1 -1.4 15.0 -23.6 12.2 47 48 A N G < S+ 0 0 22 -3,-2.6 2,-1.4 1,-0.1 -1,-0.3 0.524 74.4 92.1 -80.4 -9.9 12.4 -22.4 9.7 48 49 A F < + 0 0 19 -3,-1.5 494,-0.5 -4,-0.2 3,-0.1 -0.692 48.7 155.0 -86.6 88.6 12.8 -25.8 8.0 49 50 A H + 0 0 137 -2,-1.4 492,-0.2 492,-0.1 -1,-0.2 0.469 46.7 65.2 -90.2 -6.3 9.9 -27.5 9.9 50 51 A Q S S- 0 0 126 54,-0.5 -1,-0.1 491,-0.1 492,-0.1 0.596 91.3 -95.3-113.0 -9.1 8.9 -30.4 7.5 51 52 A Q - 0 0 81 53,-0.2 491,-0.2 -3,-0.1 2,-0.1 0.604 49.1-108.1 79.9 110.0 10.9 -33.5 6.3 52 53 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 52,-0.2 -0.430 28.3-139.9 -70.9 144.5 12.6 -32.8 3.0 53 54 A R E -C 103 0A 75 50,-1.1 50,-2.7 -2,-0.1 2,-0.4 -0.858 13.6-136.4-105.7 141.6 11.1 -34.6 -0.0 54 55 A Y E -C 102 0A 101 -2,-0.4 48,-0.2 48,-0.2 46,-0.0 -0.833 19.9-178.3-103.9 134.4 13.4 -36.0 -2.6 55 56 A I E -C 101 0A 42 46,-2.9 46,-2.6 -2,-0.4 2,-0.0 -0.995 24.7-129.8-126.5 127.5 12.9 -35.7 -6.4 56 57 A P E -C 100 0A 91 0, 0.0 44,-0.3 0, 0.0 2,-0.3 -0.375 24.0-116.0 -72.5 152.7 15.4 -37.3 -8.8 57 58 A L - 0 0 23 42,-2.6 4,-0.0 1,-0.1 42,-0.0 -0.645 13.7-127.8 -82.3 148.9 16.9 -35.2 -11.6 58 59 A S S S+ 0 0 71 -2,-0.3 -1,-0.1 1,-0.2 41,-0.0 0.921 97.8 11.1 -58.6 -46.8 16.1 -36.1 -15.3 59 60 A Q S S- 0 0 58 39,-0.1 -1,-0.2 -3,-0.0 41,-0.0 -0.988 95.4 -93.9-133.8 146.0 19.9 -36.1 -15.9 60 61 A P - 0 0 94 0, 0.0 39,-0.2 0, 0.0 38,-0.1 -0.232 32.9-174.6 -53.2 136.4 22.9 -36.0 -13.5 61 62 A M > + 0 0 8 37,-2.9 3,-2.0 1,-0.1 4,-0.2 -0.584 10.3 170.4-136.5 72.8 24.3 -32.5 -12.8 62 63 A P G > S+ 0 0 95 0, 0.0 3,-1.4 0, 0.0 36,-0.1 0.733 73.6 69.2 -58.8 -27.8 27.5 -33.0 -10.6 63 64 A L G 3 S+ 0 0 87 1,-0.2 35,-0.1 35,-0.1 -2,-0.0 0.811 102.8 47.7 -54.2 -29.1 28.4 -29.2 -11.0 64 65 A L G X S+ 0 0 0 -3,-2.0 3,-2.1 34,-0.1 30,-0.3 0.361 79.6 142.9-100.9 5.0 25.4 -28.5 -8.9 65 66 A A T < S+ 0 0 26 -3,-1.4 31,-0.2 1,-0.3 30,-0.2 -0.166 77.5 0.4 -50.0 131.3 26.1 -31.1 -6.1 66 67 A N T 3 S+ 0 0 70 29,-0.9 -1,-0.3 28,-0.9 29,-0.2 0.614 97.8 143.0 64.3 17.6 25.1 -29.8 -2.6 67 68 A T < - 0 0 26 -3,-2.1 27,-2.4 28,-0.2 2,-0.3 -0.758 41.1-145.3 -96.6 126.0 23.9 -26.5 -4.1 68 69 A P E + D 0 93A 4 0, 0.0 -32,-2.8 0, 0.0 2,-0.3 -0.615 20.4 175.6 -86.1 148.7 20.9 -24.7 -2.7 69 70 A F E -BD 35 92A 0 23,-2.7 23,-2.3 -2,-0.3 2,-0.4 -0.975 27.1-136.7-138.1 157.9 18.4 -22.8 -4.8 70 71 A I E -BD 34 91A 0 -36,-2.4 -36,-2.6 -2,-0.3 2,-0.3 -0.962 36.0-179.4-113.3 140.8 15.2 -21.0 -4.2 71 72 A V E -BD 33 90A 0 19,-2.9 19,-2.3 -2,-0.4 -38,-0.2 -0.934 31.5-113.5-141.2 153.1 12.7 -21.7 -7.0 72 73 A T E - D 0 89A 4 -40,-1.8 42,-2.4 -2,-0.3 17,-0.2 -0.587 46.2-111.4 -84.5 151.8 9.2 -20.9 -8.2 73 74 A G B > -I 113 0B 6 15,-2.5 3,-1.6 40,-0.3 2,-0.2 -0.456 28.7 -90.6 -89.6 160.8 6.8 -23.8 -8.1 74 75 A S T 3 S+ 0 0 47 38,-3.4 38,-0.3 1,-0.3 -1,-0.1 -0.468 112.2 4.9 -63.2 126.8 5.1 -25.9 -10.9 75 76 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 -47,-0.2 2,-0.2 0.454 99.2 139.7 80.0 3.2 1.7 -24.4 -11.9 76 77 A K < - 0 0 59 -3,-1.6 2,-0.5 -48,-0.2 -1,-0.3 -0.535 50.9-127.3 -87.8 147.5 2.2 -21.4 -9.5 77 78 A F >> - 0 0 75 -2,-0.2 3,-2.1 1,-0.1 4,-0.6 -0.804 4.8-142.6 -97.0 125.0 1.3 -17.9 -10.5 78 79 A F H >> S+ 0 0 2 -51,-0.6 3,-1.4 -2,-0.5 4,-0.5 0.866 102.8 63.3 -45.7 -41.3 3.9 -15.1 -10.2 79 80 A R H 34 S+ 0 0 92 -54,-0.4 -1,-0.3 -52,-0.3 3,-0.2 0.731 101.3 50.3 -56.9 -29.6 1.1 -12.9 -9.0 80 81 A N H X> S+ 0 0 56 -3,-2.1 4,-1.6 1,-0.2 3,-1.2 0.557 83.8 86.8 -88.8 -15.9 0.5 -15.0 -5.9 81 82 A V H << S+ 0 0 1 -3,-1.4 3,-0.3 -4,-0.6 7,-0.2 0.897 89.5 50.8 -57.4 -41.5 4.1 -15.2 -4.7 82 83 A Q T 3< S+ 0 0 83 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.690 110.6 50.7 -65.8 -24.1 3.8 -12.0 -2.7 83 84 A L T <4 S+ 0 0 114 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 133.1 3.7 -86.2 -29.9 0.5 -13.3 -1.1 84 85 A D >X + 0 0 79 -4,-1.6 4,-1.7 -3,-0.3 3,-0.5 -0.557 61.4 177.2-159.0 80.1 2.0 -16.6 0.1 85 86 A P H 3> S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 22,-0.3 0.854 84.3 54.5 -60.4 -35.5 5.8 -17.3 -0.6 86 87 A A H 34 S+ 0 0 23 1,-0.2 22,-1.4 2,-0.2 21,-1.1 0.795 110.9 47.4 -70.2 -28.2 5.8 -20.7 1.1 87 88 A A H <4 S+ 0 0 15 -3,-0.5 -1,-0.2 20,-0.2 -6,-0.1 0.878 123.3 31.6 -68.9 -40.3 3.0 -21.9 -1.1 88 89 A N H < S+ 0 0 11 -4,-1.7 -15,-2.5 -7,-0.2 2,-0.3 0.601 117.2 50.2-104.3 -17.3 4.5 -20.6 -4.3 89 90 A L E < -D 72 0A 0 -4,-2.5 18,-2.0 -17,-0.2 2,-0.3 -0.880 59.4-164.4-122.1 154.8 8.3 -20.9 -3.8 90 91 A G E -DE 71 106A 0 -19,-2.3 -19,-2.9 -2,-0.3 2,-0.6 -0.983 17.0-140.3-133.7 148.1 10.6 -23.7 -2.6 91 92 A I E +DE 70 105A 0 14,-2.7 13,-3.0 -2,-0.3 14,-1.6 -0.964 32.9 178.2-101.8 123.9 14.1 -23.9 -1.3 92 93 A V E -DE 69 103A 1 -23,-2.3 -23,-2.7 -2,-0.6 2,-0.4 -0.830 19.3-152.5-119.2 159.0 15.7 -27.0 -2.7 93 94 A K E -DE 68 102A 20 9,-2.4 9,-2.2 -2,-0.3 2,-0.1 -0.957 19.0-129.5-137.6 121.3 19.2 -28.4 -2.4 94 95 A V E - E 0 101A 0 -27,-2.4 -28,-0.9 -2,-0.4 7,-0.3 -0.433 36.4-114.7 -62.8 138.0 20.8 -30.6 -5.1 95 96 A D > - 0 0 23 5,-3.1 3,-1.6 -30,-0.2 -29,-0.9 -0.061 31.1 -92.1 -75.0 174.8 22.2 -33.8 -3.4 96 97 A S T 3 S+ 0 0 79 1,-0.3 -31,-0.1 -31,-0.2 -1,-0.1 0.663 126.7 46.4 -70.9 -12.4 25.9 -34.7 -3.2 97 98 A D T 3 S- 0 0 114 3,-0.1 -1,-0.3 -33,-0.1 -32,-0.1 0.529 104.3-126.4 -92.6 -9.1 25.8 -36.7 -6.5 98 99 A G S < S+ 0 0 0 -3,-1.6 -37,-2.9 2,-0.2 -2,-0.1 0.719 79.6 120.7 58.8 26.0 23.9 -34.0 -8.4 99 100 A A S S- 0 0 38 -39,-0.2 -42,-2.6 1,-0.2 2,-0.3 0.446 80.1 -21.7 -93.5 -1.4 21.5 -36.8 -9.2 100 101 A G E -C 56 0A 0 -44,-0.3 -5,-3.1 -5,-0.1 2,-0.3 -0.958 65.7-115.6 171.7 178.4 18.4 -35.2 -7.5 101 102 A Y E -CE 55 94A 13 -46,-2.6 -46,-2.9 -7,-0.3 2,-0.4 -0.939 9.0-132.3-142.4 159.0 17.3 -32.7 -5.0 102 103 A H E -CE 54 93A 42 -9,-2.2 -9,-2.4 -2,-0.3 2,-0.7 -0.928 20.2-133.8-109.1 138.1 15.6 -32.3 -1.7 103 104 A I E +CE 53 92A 4 -50,-2.7 -50,-1.1 -2,-0.4 -11,-0.3 -0.854 27.6 177.1 -89.9 119.4 12.9 -29.7 -1.1 104 105 A L E + 0 0 29 -13,-3.0 -54,-0.5 -2,-0.7 2,-0.3 0.766 60.0 7.9 -92.9 -33.8 13.8 -28.1 2.2 105 106 A W E S+ E 0 91A 24 -14,-1.6 -14,-2.7 -57,-0.1 -1,-0.3 -0.991 103.5 4.4-153.8 141.8 11.2 -25.4 2.6 106 107 A G E + E 0 90A 3 -2,-0.3 -16,-0.3 -16,-0.2 -19,-0.2 -0.321 61.1 109.1 84.9-165.0 8.0 -24.2 0.9 107 108 A L > - 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0 0 0 -2,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.452 12.7-145.9 -67.4 114.7 8.1 -10.7 -22.2 144 145 A T H > S+ 0 0 71 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.827 87.9 40.1 -60.7 -51.1 5.2 -9.4 -24.5 145 146 A N H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 113.9 53.5 -70.0 -37.8 7.0 -7.3 -27.1 146 147 A L H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.923 110.5 49.4 -61.0 -41.4 9.9 -9.7 -27.5 147 148 A I H >< S+ 0 0 32 -4,-2.4 3,-0.8 2,-0.2 4,-0.5 0.949 110.1 50.1 -58.2 -49.5 7.3 -12.4 -28.1 148 149 A A H >< S+ 0 0 43 -4,-2.4 3,-2.0 1,-0.2 4,-0.4 0.928 106.3 56.3 -56.8 -45.1 5.5 -10.3 -30.7 149 150 A L H >X S+ 0 0 2 -4,-2.6 4,-3.3 1,-0.3 3,-1.4 0.776 94.1 67.8 -60.4 -27.9 8.9 -9.6 -32.5 150 151 A T T << S+ 0 0 4 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.683 99.0 51.9 -67.2 -16.4 9.5 -13.3 -32.9 151 152 A Y T <4 S+ 0 0 144 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.606 122.7 28.8 -84.3 -10.7 6.5 -13.4 -35.4 152 153 A V T <4 S+ 0 0 102 -3,-1.4 -2,-0.2 -4,-0.4 2,-0.2 0.739 104.4 71.4-129.5 -41.2 7.9 -10.5 -37.4 153 154 A L S < S- 0 0 26 -4,-3.3 7,-0.1 1,-0.1 2,-0.0 -0.554 93.9 -91.1 -85.8 151.6 11.7 -10.4 -37.3 154 155 A E - 0 0 128 -2,-0.2 2,-2.3 1,-0.1 6,-0.2 -0.352 38.1-126.1 -53.2 127.9 14.0 -12.9 -39.0 155 156 A N S S+ 0 0 67 -5,-0.1 2,-0.4 4,-0.1 -1,-0.1 -0.409 70.5 127.5 -85.4 67.1 14.5 -15.5 -36.3 156 157 A D > - 0 0 58 -2,-2.3 4,-3.1 1,-0.1 5,-0.4 -0.985 62.2-138.6-131.8 117.3 18.3 -15.0 -36.8 157 158 A T H > S+ 0 0 36 -2,-0.4 4,-2.7 1,-0.2 22,-0.4 0.912 102.3 47.6 -54.8 -46.4 20.5 -14.3 -33.8 158 159 A A H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 116.6 40.5 -60.8 -50.4 22.5 -11.7 -35.6 159 160 A V H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.921 117.7 47.9 -67.9 -43.9 19.6 -9.7 -37.1 160 161 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 -6,-0.2 5,-0.2 0.935 113.4 47.6 -60.3 -48.4 17.5 -10.0 -34.0 161 162 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.4 5,-0.2 0.939 111.5 51.8 -55.8 -48.3 20.4 -8.9 -31.7 162 163 A R H X S+ 0 0 38 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.909 109.3 48.9 -60.9 -44.4 21.2 -5.9 -34.1 163 164 A Q H X S+ 0 0 39 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.943 112.4 48.6 -58.9 -46.3 17.5 -4.7 -34.0 164 165 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.900 110.5 50.9 -63.9 -37.1 17.5 -4.9 -30.2 165 166 A W H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 7,-0.4 0.889 112.3 47.2 -64.0 -40.2 20.8 -3.0 -30.0 166 167 A E H 3< S+ 0 0 23 -4,-2.3 84,-0.3 1,-0.2 -1,-0.2 0.804 100.6 68.4 -65.8 -30.4 19.3 -0.3 -32.3 167 168 A G T 3< S+ 0 0 7 -4,-1.9 2,-0.2 1,-0.2 -1,-0.2 0.435 116.9 10.0 -78.5 -4.8 16.1 -0.1 -30.3 168 169 A S S X S- 0 0 24 -3,-0.8 3,-2.0 -4,-0.4 4,-0.3 -0.721 72.9-129.6-170.6 129.4 17.7 1.5 -27.2 169 170 A T T > S+ 0 0 89 1,-0.3 3,-0.6 -2,-0.2 4,-0.4 0.817 104.2 57.0 -52.7 -39.3 21.3 2.8 -27.0 170 171 A E T >> S+ 0 0 93 1,-0.2 4,-2.0 2,-0.1 3,-0.6 0.612 83.6 87.4 -66.2 -20.9 22.2 0.8 -23.7 171 172 A C H <> S+ 0 0 0 -3,-2.0 4,-3.3 -6,-0.3 -1,-0.2 0.908 83.7 51.3 -56.8 -45.9 21.4 -2.6 -25.2 172 173 A L H <4 S+ 0 0 0 -3,-0.6 -1,-0.2 -7,-0.4 6,-0.1 0.854 113.9 46.7 -58.0 -36.0 24.8 -3.3 -26.8 173 174 A V H <4 S+ 0 0 40 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.855 115.5 44.2 -77.5 -34.1 26.4 -2.6 -23.4 174 175 A V H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 133.5 17.2 -79.7 -40.6 24.0 -4.6 -21.3 175 176 A F >< + 0 0 1 -4,-3.3 3,-2.0 -5,-0.2 -1,-0.2 -0.503 66.7 156.4-132.1 69.3 24.0 -7.6 -23.7 176 177 A P T 3 S+ 0 0 21 0, 0.0 91,-2.6 0, 0.0 -1,-0.1 0.789 77.0 61.2 -63.6 -24.7 27.0 -7.4 -26.0 177 178 A D T 3 S- 0 0 74 1,-0.2 -16,-0.1 89,-0.2 -5,-0.1 0.473 104.1-144.6 -79.0 -2.5 26.9 -11.2 -26.5 178 179 A G < - 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