==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (ALDEHYDE) 14-FEB-96 1FUA . COMPND 2 MOLECULE: L-FUCULOSE-1-PHOSPHATE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.DREYER,G.E.SCHULZ . 206 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 15.0 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 1 2 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 1 3 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 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 1 A M 0 0 210 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 40.2 -28.7 58.0 8.3 2 2 A E >> - 0 0 109 1,-0.1 4,-1.9 0, 0.0 3,-0.6 -0.512 360.0-111.5 -78.0 156.1 -29.6 54.8 6.4 3 3 A R H 3> S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.939 117.0 54.3 -56.0 -45.1 -29.7 51.7 8.5 4 4 A N H 3> S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.765 105.5 52.4 -63.1 -26.5 -26.6 50.2 6.8 5 5 A K H <> S+ 0 0 58 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.904 112.2 45.2 -75.4 -39.4 -24.6 53.3 7.6 6 6 A L H X S+ 0 0 30 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.811 111.3 55.0 -68.5 -32.7 -25.6 53.0 11.2 7 7 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.889 107.1 49.2 -67.6 -41.4 -24.8 49.3 10.9 8 8 A R H X S+ 0 0 119 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.918 109.4 51.8 -64.7 -44.6 -21.3 50.0 9.7 9 9 A Q H X S+ 0 0 93 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.889 106.4 53.8 -59.7 -42.5 -20.5 52.5 12.5 10 10 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.960 112.8 44.2 -57.0 -46.9 -21.6 50.0 15.1 11 11 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.916 111.4 52.3 -65.4 -41.6 -19.1 47.5 13.6 12 12 A D H X S+ 0 0 102 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.849 108.9 52.3 -63.1 -31.5 -16.4 50.1 13.3 13 13 A T H X S+ 0 0 14 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.886 106.9 51.8 -71.8 -38.6 -17.0 50.9 17.0 14 14 A C H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.930 112.7 45.1 -62.4 -46.8 -16.6 47.2 17.9 15 15 A L H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 115.3 47.2 -62.5 -45.0 -13.3 46.9 16.0 16 16 A E H X S+ 0 0 72 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.893 108.7 54.9 -65.6 -38.7 -12.1 50.2 17.5 17 17 A M H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 6,-0.9 0.894 110.8 45.7 -60.8 -40.9 -13.1 49.2 21.0 18 18 A T H ><5S+ 0 0 34 -4,-1.8 3,-1.5 4,-0.2 -1,-0.2 0.916 108.7 56.8 -67.8 -42.2 -11.0 46.0 20.7 19 19 A R H 3<5S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 108.1 46.9 -54.8 -43.4 -8.2 48.1 19.2 20 20 A L T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.498 118.8-116.3 -77.3 -9.8 -8.2 50.3 22.4 21 21 A G T < 5S+ 0 0 35 -3,-1.5 75,-0.4 -4,-0.3 -3,-0.2 0.706 83.5 119.2 80.7 23.3 -8.3 47.1 24.4 22 22 A L < + 0 0 2 -5,-2.7 2,-0.9 1,-0.2 72,-0.5 0.712 65.2 67.0 -88.2 -20.7 -11.7 47.7 26.0 23 23 A N > + 0 0 13 -6,-0.9 3,-0.6 70,-0.1 2,-0.4 -0.623 65.2 151.6-103.7 71.5 -13.1 44.5 24.4 24 24 A Q T 3 S+ 0 0 124 -2,-0.9 3,-0.4 1,-0.2 70,-0.2 -0.865 70.4 22.3-103.7 138.0 -11.2 41.6 26.1 25 25 A G T 3 S- 0 0 73 -2,-0.4 -1,-0.2 1,-0.2 -2,-0.0 0.772 117.7-101.0 75.7 24.6 -12.8 38.2 26.5 26 26 A T S < S+ 0 0 92 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.722 83.9 134.5 20.7 66.0 -14.9 39.6 23.5 27 27 A A + 0 0 27 -3,-0.4 -1,-0.1 2,-0.0 -2,-0.1 0.388 27.3 110.8-117.2 1.0 -17.9 40.5 25.7 28 28 A G - 0 0 20 -14,-0.1 2,-0.3 65,-0.1 65,-0.2 -0.274 41.2-167.0 -77.9 167.6 -18.9 44.0 24.6 29 29 A N E -A 92 0A 7 63,-1.7 63,-2.3 44,-0.1 2,-0.3 -0.979 2.6-160.8-149.9 147.9 -22.1 45.0 22.7 30 30 A V E +A 91 0A 0 -2,-0.3 11,-1.4 61,-0.2 2,-0.3 -0.981 9.3 178.9-135.9 142.1 -22.9 48.3 21.1 31 31 A S E -AB 90 40A 0 59,-2.2 59,-2.2 -2,-0.3 2,-0.3 -0.934 13.4-154.3-139.8 160.8 -26.3 49.9 20.0 32 32 A V E -AB 89 39A 6 7,-1.8 7,-1.9 -2,-0.3 2,-0.3 -0.951 33.4-104.6-131.5 150.9 -27.7 53.0 18.4 33 33 A R E + B 0 38A 83 55,-2.5 2,-0.3 -2,-0.3 5,-0.3 -0.612 49.1 171.6 -73.8 134.9 -31.2 54.6 18.8 34 34 A Y E > - B 0 37A 44 3,-1.8 3,-3.2 -2,-0.3 -2,-0.0 -0.950 48.1 -43.2-154.0 129.8 -33.2 53.8 15.6 35 35 A Q T 3 S- 0 0 146 -2,-0.3 -1,-0.1 1,-0.3 24,-0.0 -0.261 124.1 -21.3 49.7-128.6 -36.8 54.3 14.6 36 36 A D T 3 S+ 0 0 100 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.273 140.5 6.0 -94.5 14.2 -38.8 53.2 17.6 37 37 A G E < S-B 34 0A 6 -3,-3.2 -3,-1.8 22,-0.2 2,-0.3 -0.219 90.5 -75.9-151.5-116.8 -36.1 51.1 19.1 38 38 A M E -BC 33 58A 0 20,-2.1 20,-2.4 -5,-0.3 2,-0.4 -0.980 18.3-123.9-161.4 163.0 -32.4 50.4 18.4 39 39 A L E +BC 32 57A 0 -7,-1.9 -7,-1.8 -2,-0.3 2,-0.3 -0.927 40.6 177.9-108.9 133.1 -30.0 48.5 16.2 40 40 A I E -BC 31 56A 0 16,-2.3 16,-2.7 -2,-0.4 -9,-0.2 -0.952 34.3 -96.0-138.2 159.5 -27.6 46.3 18.3 41 41 A T - 0 0 8 -11,-1.4 30,-1.9 -2,-0.3 14,-0.1 -0.383 47.5-115.9 -68.4 148.7 -24.8 43.8 17.7 42 42 A P B -H 70 0B 17 0, 0.0 2,-0.2 0, 0.0 29,-0.1 -0.387 25.1-107.0 -83.7 169.8 -26.0 40.1 17.6 43 43 A T S S+ 0 0 65 26,-1.9 2,-1.9 28,-0.2 26,-0.2 -0.518 94.2 20.2 -87.7 162.6 -25.0 37.4 20.1 44 44 A G S S+ 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 27,-0.0 -0.349 88.8 106.3 82.6 -62.7 -22.6 34.7 19.0 45 45 A I S S- 0 0 57 -2,-1.9 2,-0.2 1,-0.1 -1,-0.1 -0.330 70.6-128.9 -61.1 117.6 -20.8 36.3 16.0 46 46 A P > - 0 0 53 0, 0.0 3,-3.0 0, 0.0 4,-0.4 -0.551 29.1-109.7 -67.5 135.5 -17.2 37.3 17.0 47 47 A Y G > S+ 0 0 66 1,-0.3 3,-1.2 -2,-0.2 -32,-0.1 0.677 113.8 61.6 -38.3 -34.2 -16.7 40.9 15.9 48 48 A E G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -34,-0.1 -3,-0.0 0.630 103.8 49.9 -75.6 -10.6 -14.3 40.1 13.0 49 49 A K G < S+ 0 0 138 -3,-3.0 -1,-0.3 2,-0.1 2,-0.2 0.378 86.3 123.5-102.3 1.5 -17.0 38.1 11.2 50 50 A L < + 0 0 19 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.0 -0.443 35.1 178.3 -71.3 128.6 -19.6 40.9 11.6 51 51 A T >> - 0 0 61 -2,-0.2 3,-2.7 1,-0.1 4,-0.5 -0.895 45.9-102.7-124.1 157.6 -21.2 42.3 8.4 52 52 A E G >4 S+ 0 0 71 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.842 119.2 63.9 -46.1 -40.4 -23.9 45.0 8.2 53 53 A S G 34 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.532 93.5 62.6 -65.4 -9.4 -26.5 42.2 7.7 54 54 A H G <4 S+ 0 0 65 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.696 75.2 105.5 -87.3 -25.5 -25.9 40.8 11.2 55 55 A I << - 0 0 0 -3,-1.3 2,-0.4 -4,-0.5 -14,-0.2 -0.339 66.5-137.9 -60.7 135.1 -26.9 43.9 13.1 56 56 A V E -C 40 0A 0 -16,-2.7 -16,-2.3 13,-0.1 2,-0.5 -0.841 5.5-143.3-106.9 134.5 -30.3 43.3 14.7 57 57 A F E -C 39 0A 29 -2,-0.4 8,-2.0 -18,-0.2 2,-0.4 -0.795 17.2-175.7 -95.0 130.6 -33.3 45.6 15.0 58 58 A I E -CD 38 64A 0 -20,-2.4 -20,-2.1 -2,-0.5 6,-0.2 -0.992 16.7-141.5-123.4 130.3 -35.3 45.4 18.2 59 59 A D > - 0 0 30 4,-2.4 3,-1.5 -2,-0.4 -22,-0.2 -0.185 33.6 -90.4 -84.9-177.4 -38.5 47.6 18.5 60 60 A G T 3 S+ 0 0 31 1,-0.3 -23,-0.1 2,-0.1 -1,-0.1 0.693 125.1 59.5 -66.9 -17.5 -39.9 49.5 21.4 61 61 A N T 3 S- 0 0 149 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.540 117.8-109.3 -86.0 -9.8 -41.8 46.4 22.4 62 62 A G S < S+ 0 0 21 -3,-1.5 2,-0.5 1,-0.3 -2,-0.1 0.511 74.6 135.6 93.6 4.6 -38.7 44.3 22.8 63 63 A K - 0 0 149 3,-0.0 -4,-2.4 1,-0.0 -1,-0.3 -0.761 39.5-156.2 -88.5 126.9 -39.5 42.2 19.7 64 64 A H B -D 58 0A 71 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.648 31.9 -74.2-101.7 162.8 -36.4 41.6 17.5 65 65 A E > - 0 0 51 -8,-2.0 3,-1.5 -2,-0.2 -1,-0.1 -0.153 59.3 -94.8 -52.6 145.8 -36.1 40.8 13.8 66 66 A E T 3 S+ 0 0 181 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.310 105.2 12.5 -66.6 134.1 -37.0 37.3 12.8 67 67 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.544 104.4 99.5 80.9 7.0 -34.1 34.9 12.5 68 68 A K < - 0 0 54 -3,-1.5 -1,-0.2 -11,-0.1 -4,-0.1 -0.992 60.7-146.1-127.8 133.4 -31.5 37.1 14.2 69 69 A L - 0 0 108 -2,-0.4 -26,-1.9 -26,-0.2 3,-0.1 -0.867 17.5-146.9-101.2 121.2 -30.4 36.8 17.8 70 70 A P B -H 42 0B 10 0, 0.0 -27,-0.1 0, 0.0 -29,-0.1 -0.363 43.0 -65.2 -78.7 168.8 -29.6 40.1 19.5 71 71 A S > - 0 0 5 -30,-1.9 3,-1.6 1,-0.2 4,-0.2 -0.132 43.8-122.9 -48.9 145.7 -26.9 40.4 22.1 72 72 A S T 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.701 112.7 55.1 -67.3 -17.8 -27.7 38.5 25.3 73 73 A E T >> S+ 0 0 11 1,-0.2 3,-1.1 2,-0.1 4,-0.5 0.182 71.7 115.6-101.9 21.4 -27.3 41.9 27.1 74 74 A W H X> + 0 0 41 -3,-1.6 4,-1.8 1,-0.2 3,-1.2 0.787 58.1 73.1 -62.7 -35.0 -29.8 43.9 25.0 75 75 A R H 3> S+ 0 0 78 -3,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.773 97.4 47.6 -52.2 -37.4 -32.3 44.6 27.8 76 76 A F H <> S+ 0 0 2 -3,-1.1 4,-2.1 2,-0.2 -1,-0.3 0.670 105.4 59.0 -81.7 -13.1 -30.1 47.1 29.5 77 77 A H H < - 0 0 33 -4,-2.8 3,-2.5 -5,-0.2 -1,-0.3 -0.793 62.3-176.0-122.5 92.4 -31.9 58.9 29.0 85 85 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.872 87.6 57.1 -51.6 -39.7 -33.9 60.4 26.1 86 86 A D T 3 S+ 0 0 78 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.576 83.9 103.0 -70.2 -13.8 -30.9 62.3 25.0 87 87 A A < + 0 0 1 -3,-2.5 75,-0.2 -7,-0.2 3,-0.1 -0.592 36.6 166.6 -73.6 126.9 -28.8 59.1 24.6 88 88 A N + 0 0 69 73,-2.5 -55,-2.5 -2,-0.4 2,-0.3 0.480 64.9 33.2-116.4 -8.4 -28.4 58.0 21.0 89 89 A A E -AE 32 161A 0 72,-1.7 72,-1.8 -57,-0.3 2,-0.4 -0.990 62.4-160.7-147.8 145.1 -25.6 55.4 21.3 90 90 A V E -AE 31 160A 0 -59,-2.2 -59,-2.2 -2,-0.3 2,-0.4 -0.996 1.9-168.0-131.9 133.7 -24.7 52.9 24.0 91 91 A V E -AE 30 159A 0 68,-2.7 68,-2.5 -2,-0.4 2,-0.4 -0.990 8.2-179.0-122.6 125.3 -21.4 51.1 24.5 92 92 A H E +AE 29 158A 0 -63,-2.3 -63,-1.7 -2,-0.4 2,-0.3 -0.984 13.6 146.5-124.3 141.7 -21.1 48.2 26.9 93 93 A N E - E 0 157A 1 64,-2.0 64,-2.6 -2,-0.4 -70,-0.1 -0.958 50.6-121.5-159.6 174.1 -17.9 46.2 27.7 94 94 A H + 0 0 56 -72,-0.5 -70,-0.1 -2,-0.3 62,-0.1 -0.375 40.5 178.4-117.4 46.2 -16.1 44.4 30.4 95 95 A A > - 0 0 1 1,-0.1 4,-2.6 62,-0.1 5,-0.2 -0.274 33.5-122.5 -49.0 137.8 -12.9 46.5 30.3 96 96 A V H > S+ 0 0 66 -75,-0.4 4,-2.5 1,-0.2 5,-0.2 0.880 103.8 43.4 -57.0 -48.3 -10.4 45.2 33.0 97 97 A H H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 115.5 48.2 -67.6 -43.4 -9.9 48.2 35.1 98 98 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 113.8 49.0 -57.1 -48.9 -13.5 49.3 35.2 99 99 A T H X S+ 0 0 24 -4,-2.6 4,-1.3 2,-0.2 55,-0.3 0.899 107.3 53.9 -61.5 -38.0 -14.4 45.7 36.1 100 100 A A H X S+ 0 0 36 -4,-2.5 4,-1.4 -5,-0.2 3,-0.4 0.929 109.8 47.3 -64.5 -41.8 -11.8 45.5 38.8 101 101 A V H X>S+ 0 0 0 -4,-2.2 5,-1.3 1,-0.2 4,-0.7 0.935 110.1 54.4 -63.8 -37.5 -13.3 48.6 40.5 102 102 A S H <5S+ 0 0 0 -4,-2.2 52,-0.9 1,-0.2 -1,-0.2 0.717 103.6 55.5 -68.0 -22.7 -16.8 47.1 40.0 103 103 A I H <5S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.841 106.9 49.0 -76.6 -34.9 -15.7 44.0 41.9 104 104 A L H <5S- 0 0 92 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.684 110.2-135.3 -74.8 -13.3 -14.6 46.2 44.8 105 105 A N T <5 + 0 0 71 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.922 55.4 136.9 57.2 53.0 -18.1 47.7 44.4 106 106 A R < - 0 0 86 -5,-1.3 -1,-0.2 18,-0.1 2,-0.2 -0.894 53.2-126.1-125.8 150.9 -16.9 51.3 44.7 107 107 A S - 0 0 56 -2,-0.3 18,-0.1 18,-0.1 43,-0.0 -0.555 33.5-109.7 -86.6 163.7 -17.8 54.4 42.7 108 108 A I B -I 123 0C 0 15,-2.5 15,-1.4 -2,-0.2 70,-0.1 -0.867 38.1-152.2 -95.9 116.2 -14.9 56.3 41.1 109 109 A P - 0 0 33 0, 0.0 2,-2.3 0, 0.0 3,-0.3 -0.206 38.1 -71.8 -79.1 178.3 -14.5 59.6 43.1 110 110 A A S S+ 0 0 4 11,-0.4 84,-3.1 84,-0.2 3,-0.1 -0.394 73.7 138.8 -76.2 73.1 -13.1 62.9 41.7 111 111 A I S S+ 0 0 34 -2,-2.3 2,-0.3 82,-0.2 -1,-0.2 0.618 73.5 27.5 -88.4 -15.8 -9.4 62.0 41.4 112 112 A H S > S- 0 0 65 -3,-0.3 3,-1.7 82,-0.1 -1,-0.2 -0.985 80.5-121.7-145.6 146.9 -9.0 63.7 38.0 113 113 A Y G > S+ 0 0 118 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.752 104.9 73.6 -65.7 -21.3 -10.9 66.7 36.5 114 114 A M G > S+ 0 0 30 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.596 70.9 88.0 -69.4 -7.7 -12.0 64.6 33.5 115 115 A I G X >S+ 0 0 1 -3,-1.7 3,-1.5 1,-0.3 5,-0.7 0.781 75.5 70.9 -58.0 -27.8 -14.5 62.8 35.9 116 116 A A G X 5S+ 0 0 4 -3,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.711 75.8 80.7 -65.1 -19.4 -16.9 65.7 34.9 117 117 A A G < 5S+ 0 0 16 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.761 90.1 52.7 -59.0 -26.4 -17.2 64.2 31.4 118 118 A A G < 5S- 0 0 2 -3,-1.5 30,-2.0 2,-0.2 31,-0.4 0.363 129.2 -95.1 -90.2 1.2 -19.8 61.7 32.8 119 119 A G T < 5S+ 0 0 35 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.279 88.0 19.3 108.7 -8.4 -21.8 64.5 34.3 120 120 A G S - 0 0 76 -2,-0.3 3,-1.3 1,-0.1 6,-0.4 -0.248 57.6-100.1 -51.9 139.2 -27.9 38.5 37.0 131 131 A F T 3 S+ 0 0 115 1,-0.2 -1,-0.1 5,-0.1 3,-0.1 -0.215 104.3 26.4 -61.3 151.6 -27.2 39.5 33.4 132 132 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.430 96.5 123.8 75.1 2.8 -30.1 39.7 31.0 133 133 A T S <> S- 0 0 48 -3,-1.3 4,-1.8 1,-0.1 -1,-0.2 -0.578 70.1-126.9-100.8 162.1 -32.6 40.3 33.7 134 134 A R H > S+ 0 0 170 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.834 110.2 59.0 -69.5 -32.3 -35.2 43.1 34.4 135 135 A E H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 106.1 47.9 -64.3 -37.9 -33.7 43.7 37.9 136 136 A L H > S+ 0 0 4 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.928 108.7 56.2 -67.0 -42.2 -30.3 44.5 36.4 137 137 A S H X S+ 0 0 11 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.889 106.0 49.8 -54.9 -42.6 -32.1 46.8 33.9 138 138 A E H X S+ 0 0 130 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 108.7 51.8 -63.5 -44.0 -33.7 48.7 36.8 139 139 A H H X S+ 0 0 40 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.894 112.7 45.9 -59.6 -42.7 -30.3 49.2 38.6 140 140 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 110.2 52.4 -66.1 -46.2 -28.8 50.5 35.4 141 141 A A H X S+ 0 0 24 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.912 111.3 47.4 -59.2 -43.3 -31.7 52.9 34.6 142 142 A L H < S+ 0 0 124 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.858 112.2 49.5 -66.6 -39.0 -31.4 54.4 38.1 143 143 A A H >< S+ 0 0 14 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.829 109.7 51.7 -68.0 -36.4 -27.6 54.8 37.9 144 144 A L H 3< S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.509 82.3 93.2 -81.4 -3.9 -27.9 56.5 34.4 145 145 A K T 3< S+ 0 0 156 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.1 0.899 106.9 13.0 -57.8 -40.1 -30.4 59.1 35.6 146 146 A N S < S+ 0 0 100 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.2 0.213 126.5 56.2-123.1 16.9 -27.8 61.6 36.4 147 147 A R - 0 0 31 -3,-0.3 -28,-0.2 -4,-0.2 -24,-0.1 -0.970 63.3-143.3-145.0 154.4 -24.6 60.2 34.8 148 148 A K S S+ 0 0 54 -30,-2.0 12,-3.1 -2,-0.3 2,-0.3 0.478 88.4 35.7 -95.4 -9.4 -23.7 59.1 31.3 149 149 A A E + G 0 159A 0 -31,-0.4 2,-0.3 10,-0.3 10,-0.2 -0.983 62.9 178.4-144.2 148.2 -21.6 56.1 32.4 150 150 A T E - G 0 158A 0 8,-2.1 8,-2.1 -2,-0.3 2,-0.2 -0.986 24.6-129.1-148.1 149.8 -21.9 53.6 35.2 151 151 A L E -fG 125 157A 0 -27,-2.9 -25,-2.8 -2,-0.3 2,-0.5 -0.617 21.7-140.9 -89.8 159.4 -20.0 50.6 36.5 152 152 A L E >> -fG 126 156A 2 4,-2.7 3,-1.8 -2,-0.2 4,-1.7 -0.996 29.1-106.1-124.6 123.4 -22.0 47.3 37.1 153 153 A Q T 34 S- 0 0 41 -27,-2.7 -24,-0.3 -2,-0.5 -50,-0.2 -0.220 98.1 -4.4 -53.2 129.6 -20.9 45.3 40.2 154 154 A H T 34 S+ 0 0 104 -52,-0.9 -1,-0.3 -55,-0.3 -51,-0.1 0.740 133.8 63.3 57.0 32.9 -19.0 42.1 39.3 155 155 A H T <4 S- 0 0 21 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.584 89.6-106.5-147.5 -65.6 -19.6 42.8 35.7 156 156 A G E < - G 0 152A 0 -4,-1.7 -4,-2.7 -58,-0.2 2,-0.3 -0.955 43.1 -36.8 163.4-136.6 -18.3 45.8 33.8 157 157 A L E -EG 93 151A 0 -64,-2.6 -64,-2.0 -2,-0.3 2,-0.4 -0.944 22.0-169.1-140.3 149.5 -19.3 49.2 32.2 158 158 A I E +EG 92 150A 0 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.4 -1.000 15.1 177.8-131.8 127.3 -22.1 51.0 30.3 159 159 A A E -EG 91 149A 0 -68,-2.5 -68,-2.7 -2,-0.4 2,-0.4 -0.998 5.6-168.9-132.5 138.4 -21.5 54.4 28.7 160 160 A C E +E 90 0A 1 -12,-3.1 2,-0.3 -2,-0.4 -70,-0.2 -0.959 14.0 151.4-130.1 149.2 -24.0 56.4 26.7 161 161 A E E -E 89 0A 24 -72,-1.8 -73,-2.5 -2,-0.4 -72,-1.7 -0.895 56.5 -79.9-155.7-175.7 -23.7 59.5 24.6 162 162 A V S S+ 0 0 69 -2,-0.3 2,-0.3 -75,-0.2 -72,-0.1 0.641 108.3 3.2 -72.4 -20.1 -25.1 61.4 21.6 163 163 A N S > S- 0 0 62 -74,-0.1 4,-2.1 1,-0.1 -74,-0.2 -0.957 81.5 -97.7-157.4 168.7 -23.3 59.3 19.0 164 164 A L H > S+ 0 0 5 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.835 117.0 58.6 -60.8 -38.0 -21.0 56.3 18.8 165 165 A E H > S+ 0 0 143 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.934 112.6 37.6 -59.3 -50.3 -17.9 58.4 18.6 166 166 A K H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.825 114.9 55.3 -71.5 -35.4 -18.5 60.2 21.9 167 167 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 111.9 43.3 -62.5 -46.9 -19.9 57.1 23.6 168 168 A L H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.921 112.9 53.0 -63.3 -44.0 -16.7 55.1 22.7 169 169 A W H X S+ 0 0 108 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.909 110.5 47.3 -58.7 -42.0 -14.7 58.1 23.8 170 170 A L H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.886 110.0 52.4 -65.9 -44.2 -16.4 58.2 27.2 171 171 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.921 111.0 48.1 -57.6 -44.6 -16.1 54.5 27.7 172 172 A H H X S+ 0 0 62 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.947 109.9 51.5 -61.5 -50.0 -12.4 54.8 27.1 173 173 A E H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.852 107.7 52.0 -58.4 -36.6 -12.0 57.7 29.4 174 174 A V H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.884 106.5 54.5 -69.4 -32.7 -13.8 55.8 32.2 175 175 A E H X S+ 0 0 16 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.910 108.9 48.4 -66.0 -38.9 -11.3 53.0 31.7 176 176 A V H X S+ 0 0 49 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 111.8 48.5 -66.6 -42.3 -8.4 55.4 32.2 177 177 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.896 110.8 52.6 -64.1 -37.1 -10.0 56.9 35.3 178 178 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.944 110.2 46.5 -63.5 -47.6 -10.5 53.3 36.6 179 179 A Q H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 111.3 52.4 -63.1 -40.8 -6.9 52.5 36.0 180 180 A L H X S+ 0 0 68 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.877 111.0 48.1 -61.3 -37.1 -5.8 55.7 37.7 181 181 A Y H X S+ 0 0 15 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.909 112.5 45.6 -73.2 -40.5 -8.0 54.8 40.8 182 182 A L H X S+ 0 0 40 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.922 112.5 52.2 -69.3 -40.7 -6.7 51.3 41.2 183 183 A T H < S+ 0 0 85 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.914 116.1 38.4 -62.8 -42.6 -3.1 52.3 40.7 184 184 A T H >X S+ 0 0 53 -4,-1.7 4,-3.1 -5,-0.2 3,-1.7 0.894 110.8 59.7 -78.3 -34.7 -3.3 55.0 43.4 185 185 A L H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 97.8 60.1 -63.7 -30.5 -5.5 53.0 45.8 186 186 A A T 3< S+ 0 0 91 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.709 114.7 36.6 -70.6 -16.3 -2.8 50.3 45.9 187 187 A I T <4 S+ 0 0 144 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.838 130.5 8.5 -99.2 -51.6 -0.6 53.0 47.4 188 188 A T < - 0 0 71 -4,-3.1 -1,-0.3 4,-0.0 -2,-0.0 -0.995 67.8-129.4-142.2 140.2 -2.9 55.0 49.5 189 189 A D S S+ 0 0 92 -2,-0.3 2,-0.1 1,-0.1 -4,-0.0 -0.991 91.7 31.4-134.4 124.7 -6.5 54.8 50.8 190 190 A P S S- 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.527 91.6-135.8 -77.3 162.1 -8.4 57.0 50.5 191 191 A V - 0 0 14 -2,-0.1 -2,-0.1 1,-0.1 -6,-0.1 -0.640 28.4-100.7 -82.6 135.9 -7.2 58.5 47.3 192 192 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.349 47.0-169.3 -55.4 137.6 -6.9 62.4 47.2 193 193 A V - 0 0 82 -3,-0.0 2,-0.3 -82,-0.0 -82,-0.2 -0.882 25.5-107.8-130.2 163.1 -9.8 64.0 45.4 194 194 A L - 0 0 64 -84,-3.1 -84,-0.2 -2,-0.3 -82,-0.1 -0.667 47.1-105.6 -87.1 141.2 -10.8 67.4 44.0 195 195 A S > - 0 0 61 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.108 25.1-108.9 -64.9 164.1 -13.6 69.2 46.1 196 196 A D H > S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.871 119.4 54.6 -63.6 -35.6 -17.2 69.5 44.9 197 197 A E H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 107.6 50.6 -60.8 -49.7 -16.7 73.2 44.3 198 198 A E H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 111.5 46.1 -57.1 -44.3 -13.8 72.5 42.0 199 199 A I H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.872 107.4 60.3 -67.0 -31.9 -15.8 70.0 40.1 200 200 A A H X S+ 0 0 55 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 107.3 45.9 -60.0 -41.7 -18.6 72.6 40.0 201 201 A V H X S+ 0 0 77 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.936 111.1 50.2 -66.5 -49.4 -16.3 74.9 38.1 202 202 A V H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 111.4 50.2 -57.2 -43.3 -15.0 72.3 35.7 203 203 A L H < S+ 0 0 68 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.942 111.7 46.2 -60.2 -48.5 -18.6 71.3 34.8 204 204 A E H < S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.922 113.7 52.2 -59.0 -41.0 -19.6 74.9 34.2 205 205 A K H < 0 0 179 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 360.0 360.0 -63.7 -37.7 -16.4 75.2 32.2 206 206 A F < 0 0 124 -4,-2.4 0, 0.0 -5,-0.1 0, 0.0 -0.390 360.0 360.0 -65.8 360.0 -17.1 72.1 30.0