==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-04 1U2T . COMPND 2 MOLECULE: SUCROSE-PHOSPHATASE (SPP); . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP. PCC 6803; . AUTHOR S.FIEULAINE,J.E.LUNN,F.BOREL,J.-L.FERRER . 244 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 1 0 0 0 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 0 198 0, 0.0 2,-0.2 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 13.8 54.7 31.6 98.7 2 2 A R - 0 0 70 1,-0.1 33,-0.2 2,-0.0 32,-0.1 -0.677 360.0-122.0-102.2 158.7 54.8 29.2 101.7 3 3 A Q S S+ 0 0 75 31,-0.7 2,-0.3 -2,-0.2 240,-0.3 0.565 90.8 35.8 -75.8 -9.3 57.8 27.8 103.4 4 4 A L E -a 35 0A 0 30,-1.0 32,-2.6 238,-0.1 2,-0.6 -0.991 51.9-161.5-150.7 139.3 56.9 24.1 102.8 5 5 A L E -ab 36 181A 0 175,-2.4 177,-2.0 -2,-0.3 2,-0.7 -0.925 24.8-163.4-115.8 97.9 55.3 22.0 100.2 6 6 A L E -ab 37 182A 0 30,-2.9 32,-2.5 -2,-0.6 2,-0.6 -0.771 9.9-179.1 -90.7 112.9 54.3 18.8 102.1 7 7 A I E +ab 38 183A 0 175,-2.9 177,-2.0 -2,-0.7 2,-0.3 -0.914 11.1 175.2-115.4 109.3 53.5 15.8 99.8 8 8 A S E -ab 39 184A 0 30,-2.2 32,-2.9 -2,-0.6 2,-0.2 -0.854 29.3-130.8-120.8 152.6 52.5 12.7 101.6 9 9 A D > - 0 0 5 175,-0.7 5,-1.2 -2,-0.3 32,-0.2 -0.521 20.5-148.5 -85.5 157.5 51.3 9.2 100.7 10 10 A L I >>> + 0 0 0 30,-0.5 5,-2.6 3,-0.2 3,-2.4 0.884 68.8 68.9 -93.8 -78.8 48.2 8.0 102.6 11 11 A D I 345S- 0 0 72 1,-0.3 5,-0.1 2,-0.2 175,-0.1 -0.178 124.6 -9.9 -48.9 121.3 48.1 4.2 103.2 12 12 A N I 345S+ 0 0 46 3,-0.4 217,-0.7 1,-0.2 -1,-0.3 0.446 136.7 61.2 67.2 1.5 50.7 3.2 105.7 13 13 A T I <45S+ 0 0 0 -3,-2.4 220,-0.2 215,-0.1 -3,-0.2 0.644 122.5 6.0-116.7 -74.1 52.3 6.6 105.6 14 14 A W I < - 0 0 58 -3,-0.3 4,-2.2 1,-0.1 213,-0.2 -0.968 63.8-168.0-128.2 109.9 48.8 4.8 113.1 18 18 A Q H > S+ 0 0 76 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.932 84.7 54.2 -68.0 -46.5 46.0 6.9 114.4 19 19 A Q H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 114.9 43.1 -53.4 -43.3 47.8 8.4 117.4 20 20 A A H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.885 109.7 54.1 -71.6 -41.4 50.5 9.6 115.1 21 21 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.897 112.3 49.3 -59.4 -36.1 48.1 10.9 112.4 22 22 A E H X S+ 0 0 107 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.910 112.1 42.1 -72.1 -44.3 46.5 12.9 115.2 23 23 A H H X S+ 0 0 81 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.733 114.7 54.2 -77.4 -16.8 49.6 14.5 116.7 24 24 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.928 113.1 41.2 -76.0 -47.1 50.9 15.1 113.2 25 25 A Q H X S+ 0 0 32 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.788 113.2 55.4 -69.8 -27.6 47.7 16.9 112.2 26 26 A E H X S+ 0 0 133 -4,-1.8 4,-0.5 2,-0.2 3,-0.3 0.930 110.7 44.0 -70.3 -45.6 47.6 18.7 115.6 27 27 A Y H >< S+ 0 0 62 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.936 114.2 48.9 -63.2 -48.9 51.1 20.1 115.1 28 28 A L H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.646 100.7 68.4 -67.3 -15.9 50.5 21.1 111.5 29 29 A G H >< S+ 0 0 44 -4,-0.8 3,-0.7 -3,-0.3 -1,-0.3 0.720 91.3 58.8 -77.0 -20.6 47.2 22.8 112.6 30 30 A D T << S+ 0 0 122 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.480 118.9 29.1 -86.8 -1.5 49.0 25.5 114.5 31 31 A R T X S+ 0 0 72 -3,-0.7 3,-1.9 -4,-0.2 4,-0.3 -0.175 74.5 145.6-147.6 41.7 50.9 26.6 111.4 32 32 A R G X S+ 0 0 66 -3,-0.7 3,-0.7 1,-0.3 -2,-0.1 0.774 70.5 55.3 -54.8 -32.7 48.5 25.7 108.7 33 33 A G G 3 S+ 0 0 51 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.539 92.4 72.4 -81.9 -5.3 49.4 28.7 106.5 34 34 A N G < S+ 0 0 64 -3,-1.9 -30,-1.0 -6,-0.2 -31,-0.7 0.563 101.3 34.7 -85.4 -9.2 53.1 27.9 106.4 35 35 A F E < -a 4 0A 0 -3,-0.7 2,-0.4 -4,-0.3 -30,-0.2 -0.956 68.0-130.5-143.4 161.1 52.8 24.9 104.1 36 36 A Y E -a 5 0A 28 -32,-2.6 -30,-2.9 -2,-0.3 2,-0.4 -0.902 30.2-148.7-106.4 139.3 50.9 23.6 101.1 37 37 A L E +a 6 0A 0 -2,-0.4 25,-1.9 -32,-0.2 24,-1.8 -0.929 18.1 176.5-116.8 137.1 49.6 20.1 101.6 38 38 A A E -ac 7 62A 0 -32,-2.5 -30,-2.2 -2,-0.4 2,-0.5 -0.995 19.5-147.2-140.3 131.5 49.1 17.4 98.9 39 39 A Y E -ac 8 63A 0 23,-1.6 25,-3.0 -2,-0.4 2,-0.7 -0.864 10.8-164.3 -98.1 126.1 48.0 13.8 99.3 40 40 A A E + c 0 64A 0 -32,-2.9 -30,-0.5 -2,-0.5 2,-0.3 -0.926 26.8 155.4-113.1 104.6 49.6 11.5 96.7 41 41 A T - 0 0 4 23,-2.0 26,-3.3 -2,-0.7 27,-0.7 -0.860 53.2-132.8-130.1 162.6 47.7 8.3 96.6 42 42 A G S S+ 0 0 18 24,-0.3 2,-0.1 -2,-0.3 23,-0.1 0.527 81.0 101.4 -88.2 -6.4 46.9 5.4 94.3 43 43 A R S S- 0 0 71 1,-0.1 23,-2.8 23,-0.1 24,-0.2 -0.384 82.0-105.0 -78.0 154.2 43.2 5.7 95.2 44 44 A S > - 0 0 32 21,-0.2 4,-1.5 66,-0.2 5,-0.1 -0.284 37.6-105.4 -69.8 164.6 40.6 7.4 93.1 45 45 A Y H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.887 122.5 50.2 -60.8 -38.3 39.5 10.8 94.3 46 46 A H H > S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.949 110.4 47.6 -64.0 -50.2 36.2 9.3 95.6 47 47 A S H > S+ 0 0 21 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.745 111.7 54.8 -62.3 -24.0 38.0 6.5 97.4 48 48 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.920 103.7 50.1 -76.7 -46.5 40.3 9.2 98.9 49 49 A R H X S+ 0 0 72 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.850 108.5 57.3 -60.8 -32.7 37.5 11.5 100.3 50 50 A E H >X S+ 0 0 90 -4,-1.7 4,-2.2 2,-0.2 3,-0.8 0.957 104.9 48.6 -60.8 -51.4 36.2 8.3 101.9 51 51 A L H 3X>S+ 0 0 6 -4,-1.5 4,-2.9 1,-0.3 5,-0.5 0.922 106.4 57.9 -53.6 -47.9 39.4 7.6 103.7 52 52 A Q H 3X>S+ 0 0 23 -4,-2.2 5,-0.9 1,-0.2 4,-0.7 0.818 108.3 47.1 -53.3 -33.7 39.5 11.2 104.9 53 53 A K H <<5S+ 0 0 84 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.906 113.9 46.4 -76.6 -42.4 36.1 10.6 106.5 54 54 A Q H <5S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.947 128.5 22.9 -65.2 -51.7 37.1 7.3 108.2 55 55 A V H <5S- 0 0 21 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.2 0.476 107.1-117.6 -96.0 -4.0 40.5 8.4 109.6 56 56 A G T << - 0 0 38 -4,-0.7 -3,-0.2 -5,-0.5 -4,-0.2 0.960 38.0-166.7 68.5 53.7 39.7 12.1 109.7 57 57 A L < - 0 0 12 -5,-0.9 2,-0.3 -6,-0.2 -1,-0.1 -0.317 23.5-110.8 -68.3 154.7 42.3 13.4 107.3 58 58 A M - 0 0 30 1,-0.1 -1,-0.1 -2,-0.0 -6,-0.0 -0.701 41.7 -92.0 -89.8 143.1 42.9 17.2 107.3 59 59 A E - 0 0 96 -2,-0.3 2,-0.1 1,-0.1 -22,-0.1 -0.314 45.9-149.3 -56.4 115.5 41.8 19.1 104.1 60 60 A P - 0 0 10 0, 0.0 -22,-0.2 0, 0.0 3,-0.1 -0.415 19.2-127.2 -84.6 163.1 44.8 19.3 101.7 61 61 A D S S+ 0 0 34 -24,-1.8 2,-0.3 1,-0.2 -23,-0.2 0.805 94.3 14.5 -76.6 -30.6 45.4 22.1 99.2 62 62 A Y E -c 38 0A 22 -25,-1.9 -23,-1.6 11,-0.1 2,-0.5 -0.980 63.3-144.9-144.7 155.3 45.7 19.5 96.4 63 63 A W E -cD 39 72A 7 9,-1.7 9,-2.6 -2,-0.3 2,-1.2 -0.947 6.5-169.1-124.2 108.4 44.9 15.8 95.8 64 64 A L E +cD 40 71A 0 -25,-3.0 -23,-2.0 -2,-0.5 3,-0.3 -0.771 32.3 177.7 -95.8 88.6 47.3 13.9 93.5 65 65 A T E >> + D 0 70A 0 5,-1.7 5,-2.0 -2,-1.2 4,-0.8 -0.435 44.6 28.5 -97.4 168.5 45.1 10.8 93.1 66 66 A A T >45S- 0 0 3 -23,-2.8 3,-0.9 1,-0.3 -24,-0.3 0.890 138.7 -48.9 52.3 45.8 45.2 7.5 91.2 67 67 A V T 345S- 0 0 0 -26,-3.3 95,-0.8 -3,-0.3 -1,-0.3 0.836 108.8 -54.3 65.0 34.7 49.0 7.5 91.4 68 68 A G T 345S+ 0 0 0 -27,-0.7 -1,-0.2 2,-0.3 -2,-0.2 0.575 108.4 122.9 78.5 8.1 49.0 11.1 90.1 69 69 A S T <<5S+ 0 0 1 -3,-0.9 2,-0.4 -4,-0.8 -3,-0.2 0.739 80.6 34.4 -72.7 -21.4 46.9 10.3 87.0 70 70 A E E - 0 0 15 -7,-1.8 4,-1.3 1,-0.1 -7,-0.3 -0.841 26.0-174.4 -95.8 114.5 43.0 19.8 86.4 79 79 A Q H > S+ 0 0 112 -2,-0.7 4,-2.1 2,-0.2 -1,-0.1 0.693 83.0 56.2 -82.4 -20.6 42.1 19.8 82.7 80 80 A H H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.889 108.4 48.2 -75.3 -40.0 45.6 20.8 81.6 81 81 A W H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.886 111.7 51.2 -65.2 -38.3 47.1 17.9 83.5 82 82 A A H X S+ 0 0 4 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.961 112.5 43.8 -63.3 -52.2 44.5 15.6 81.9 83 83 A D H X S+ 0 0 89 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.870 111.6 56.5 -59.9 -37.5 45.3 16.8 78.4 84 84 A Y H < S+ 0 0 83 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.915 112.9 39.5 -60.3 -45.6 49.0 16.6 79.2 85 85 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.769 109.6 61.2 -76.0 -27.8 48.6 12.9 80.1 86 86 A S H >< S+ 0 0 53 -4,-2.3 3,-0.7 -5,-0.2 2,-0.6 0.667 78.8 107.5 -73.6 -17.0 46.2 12.2 77.3 87 87 A E T 3< S- 0 0 100 -4,-1.0 3,-0.1 -3,-0.4 -4,-0.0 -0.524 99.3 -10.9 -71.6 114.0 48.8 13.2 74.7 88 88 A H T 3 S+ 0 0 124 -2,-0.6 -1,-0.2 1,-0.3 2,-0.2 0.305 98.9 138.8 82.9 -7.8 50.2 10.1 72.8 89 89 A W < - 0 0 24 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.3 -0.479 34.0-170.5 -73.4 136.2 48.5 7.8 75.3 90 90 A Q > + 0 0 95 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 -0.787 11.0 171.1-128.3 85.5 46.9 4.6 73.9 91 91 A R H > S+ 0 0 49 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.959 74.4 55.6 -62.2 -51.8 44.9 3.0 76.7 92 92 A D H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 110.6 43.3 -47.4 -53.4 43.2 0.4 74.5 93 93 A I H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.966 113.2 50.6 -60.6 -54.6 46.4 -1.1 73.0 94 94 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.893 112.5 47.9 -50.3 -45.4 48.3 -1.2 76.3 95 95 A Q H X S+ 0 0 60 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.894 105.4 57.5 -63.6 -43.6 45.4 -3.0 78.0 96 96 A A H X S+ 0 0 66 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.917 112.7 43.0 -52.9 -44.3 45.0 -5.5 75.2 97 97 A I H < S+ 0 0 37 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.944 114.4 48.4 -67.1 -51.4 48.6 -6.4 75.8 98 98 A A H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.879 108.4 54.7 -58.8 -40.5 48.3 -6.4 79.6 99 99 A D H 3< S+ 0 0 70 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 93.1 71.7 -62.5 -34.4 45.2 -8.5 79.5 100 100 A G T 3< S+ 0 0 67 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.3 0.578 80.0 95.4 -58.4 -8.6 47.1 -11.1 77.5 101 101 A F X - 0 0 27 -3,-1.6 3,-0.9 -4,-0.2 -3,-0.0 -0.764 60.9-161.3 -91.0 123.2 49.0 -11.9 80.7 102 102 A E T 3 S+ 0 0 196 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.889 90.3 61.3 -67.6 -39.4 47.7 -14.9 82.6 103 103 A A T 3 S+ 0 0 20 18,-0.1 19,-2.2 23,-0.1 2,-0.4 0.543 96.9 78.1 -66.0 -5.8 49.5 -13.8 85.8 104 104 A L E < -H 121 0B 14 -3,-0.9 17,-0.2 17,-0.2 15,-0.0 -0.905 57.8-171.8-113.5 134.1 47.5 -10.6 85.7 105 105 A K E -H 120 0B 150 15,-2.2 15,-2.5 -2,-0.4 -3,-0.0 -0.979 32.8-111.5-120.5 130.4 43.9 -10.0 86.8 106 106 A P E -H 119 0B 77 0, 0.0 13,-0.3 0, 0.0 2,-0.1 -0.309 30.8-124.8 -60.3 141.1 42.1 -6.7 86.1 107 107 A Q - 0 0 22 11,-2.4 11,-0.1 1,-0.2 4,-0.1 -0.451 49.4 -68.2 -80.3 161.4 41.4 -4.7 89.2 108 108 A S > - 0 0 70 1,-0.1 3,-2.2 -2,-0.1 -1,-0.2 -0.071 49.1-111.7 -47.2 149.4 37.7 -3.6 89.7 109 109 A P G > S+ 0 0 106 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.891 115.4 68.2 -52.9 -40.6 36.5 -1.1 87.2 110 110 A L G 3 S+ 0 0 140 1,-0.3 -66,-0.2 -66,-0.0 -2,-0.1 0.497 95.0 59.0 -60.2 -0.4 36.3 1.6 89.9 111 111 A E G < S+ 0 0 60 -3,-2.2 -1,-0.3 -4,-0.1 2,-0.2 0.363 96.5 78.8-106.6 0.4 40.1 1.4 90.0 112 112 A Q < + 0 0 49 -3,-3.1 5,-0.2 -4,-0.2 -46,-0.0 -0.679 48.9 162.3-109.2 162.4 40.5 2.3 86.4 113 113 A N B > -K 116 0C 26 3,-1.7 3,-2.4 -2,-0.2 -2,-0.0 -0.951 58.0 -73.3-163.9 171.3 40.4 5.6 84.5 114 114 A P T 3 S+ 0 0 73 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 0.709 133.0 28.5 -44.7 -27.5 41.5 7.1 81.1 115 115 A W T 3 S+ 0 0 29 1,-0.1 2,-0.3 -25,-0.0 46,-0.0 0.022 112.5 70.1-126.0 24.0 45.1 7.2 82.3 116 116 A K B < +K 113 0C 5 -3,-2.4 -3,-1.7 41,-0.1 2,-0.6 -0.824 46.5 175.9-150.5 107.4 45.2 4.3 84.7 117 117 A I E - 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0 0 8 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.865 39.7-124.3-110.9 144.6 58.1 25.9 95.1 177 177 A E > - 0 0 113 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.593 17.2-124.4 -88.4 147.8 61.7 24.8 95.3 178 178 A P G > S+ 0 0 33 0, 0.0 3,-1.8 0, 0.0 21,-0.9 0.881 116.0 60.1 -54.8 -35.7 62.7 21.1 95.6 179 179 A S G 3 S+ 0 0 63 1,-0.3 19,-0.0 19,-0.2 -3,-0.0 0.728 104.9 48.6 -63.2 -23.8 64.6 22.2 98.7 180 180 A Q G < S+ 0 0 58 -3,-1.9 -175,-2.4 -176,-0.1 2,-0.3 0.263 99.5 90.2 -98.3 6.4 61.3 23.4 100.1 181 181 A T E < -b 5 0A 0 -3,-1.8 18,-2.3 -4,-0.2 2,-0.4 -0.833 52.1-170.4-110.4 145.8 59.5 20.1 99.3 182 182 A L E -bf 6 199A 0 -177,-2.0 -175,-2.9 -2,-0.3 2,-0.4 -0.987 5.3-164.3-134.7 122.7 59.2 16.9 101.3 183 183 A V E -bf 7 200A 1 16,-2.9 18,-2.7 -2,-0.4 2,-0.4 -0.873 4.3-163.4-108.5 141.2 57.8 13.7 100.0 184 184 A C E +bf 8 201A 0 -177,-2.0 -175,-0.7 -2,-0.4 2,-0.3 -0.973 22.3 139.3-125.3 136.7 56.6 10.8 102.2 185 185 A G E - f 0 202A 0 16,-1.7 18,-1.8 -2,-0.4 21,-0.1 -0.974 35.9-165.4-163.5 176.8 56.1 7.2 101.1 186 186 A D + 0 0 3 -2,-0.3 21,-3.3 16,-0.2 24,-0.4 0.471 68.6 48.0-145.5 -19.9 56.3 3.5 101.8 187 187 A S S > S- 0 0 6 19,-0.2 3,-1.4 23,-0.1 4,-0.4 -0.497 89.9 -84.1-121.5-170.0 55.7 1.5 98.6 188 188 A G G > S+ 0 0 7 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.728 120.1 61.4 -68.1 -25.3 56.5 1.2 94.9 189 189 A N G 3 S+ 0 0 22 1,-0.2 -26,-0.4 2,-0.1 -1,-0.3 0.408 101.9 57.4 -81.7 5.3 54.0 3.8 93.8 190 190 A D G X> S+ 0 0 0 -3,-1.4 3,-1.9 2,-0.1 4,-1.3 0.535 79.2 87.9-105.7 -15.7 56.0 6.2 95.9 191 191 A I H <> S+ 0 0 33 -3,-0.7 4,-1.4 -4,-0.4 5,-0.2 0.883 81.4 61.4 -51.7 -41.3 59.3 5.5 94.1 192 192 A G H 34 S+ 0 0 7 -4,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.758 100.1 55.9 -59.3 -24.5 58.4 8.3 91.6 193 193 A L H X4 S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.2 5,-0.4 0.925 108.2 45.2 -73.5 -45.2 58.4 10.7 94.5 194 194 A F H 3< S+ 0 0 1 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.663 101.3 66.4 -73.3 -15.5 61.9 9.9 95.6 195 195 A E T 3< S+ 0 0 113 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.686 90.6 90.8 -75.0 -16.4 63.1 10.1 91.9 196 196 A T S < S- 0 0 1 -3,-1.1 -13,-0.1 -4,-0.3 -31,-0.1 -0.244 91.2-120.1 -71.8 163.4 62.1 13.7 92.4 197 197 A S S S+ 0 0 60 2,-0.0 -16,-0.1 -2,-0.0 -1,-0.1 0.270 80.2 108.0 -90.4 11.4 64.8 16.2 93.6 198 198 A A S S- 0 0 1 -5,-0.4 -16,-0.2 1,-0.1 -19,-0.2 -0.294 83.6 -89.0 -81.8 170.2 62.7 17.1 96.7 199 199 A R E -f 182 0A 77 -18,-2.3 -16,-2.9 -21,-0.9 2,-0.3 -0.506 52.3-160.5 -75.4 150.4 63.5 16.0 100.2 200 200 A G E -fg 183 222A 0 21,-2.9 23,-2.8 -18,-0.2 2,-0.4 -0.974 20.6-158.9-140.3 153.7 62.1 12.6 101.1 201 201 A V E -fg 184 223A 0 -18,-2.7 -16,-1.7 -2,-0.3 2,-0.7 -0.994 7.7-157.7-132.1 125.7 61.2 10.5 104.0 202 202 A I E -fg 185 224A 0 21,-2.7 23,-1.5 -2,-0.4 -16,-0.2 -0.915 27.1-125.8-102.7 113.4 60.8 6.7 103.9 203 203 A V > - 0 0 0 -18,-1.8 3,-1.7 -2,-0.7 25,-0.2 -0.185 17.1-118.3 -57.2 149.2 58.6 5.5 106.7 204 204 A R T 3 S+ 0 0 132 23,-2.7 24,-0.2 1,-0.3 -1,-0.1 0.929 114.4 54.7 -53.8 -49.9 60.1 2.8 108.9 205 205 A N T 3 S+ 0 0 48 -193,-0.2 -1,-0.3 22,-0.1 -2,-0.1 0.125 84.3 151.5 -73.4 23.0 57.3 0.3 108.0 206 206 A A < - 0 0 12 -3,-1.7 -19,-0.2 1,-0.1 -20,-0.1 -0.144 48.8-103.9 -59.1 151.1 58.2 0.8 104.3 207 207 A Q > - 0 0 54 -21,-3.3 4,-2.2 1,-0.1 3,-0.4 -0.314 31.3-106.4 -72.3 157.6 57.5 -2.0 101.8 208 208 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.819 115.4 55.2 -54.8 -39.2 60.3 -4.2 100.4 209 209 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.892 109.6 46.6 -66.7 -38.0 60.4 -2.6 96.9 210 210 A L H > S+ 0 0 0 -3,-0.4 4,-3.1 -24,-0.4 -1,-0.2 0.950 114.6 45.9 -68.5 -46.8 60.9 0.9 98.3 211 211 A L H X S+ 0 0 44 -4,-2.2 4,-2.1 -25,-0.2 -2,-0.2 0.907 113.4 51.2 -61.6 -38.3 63.6 -0.2 100.6 212 212 A H H X S+ 0 0 108 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.915 111.1 47.8 -64.2 -40.5 65.1 -2.1 97.8 213 213 A W H >X>S+ 0 0 23 -4,-2.3 4,-3.4 1,-0.2 3,-0.7 0.946 108.2 55.5 -62.6 -48.7 65.0 1.0 95.6 214 214 A Y H 3X5S+ 0 0 55 -4,-3.1 4,-2.6 1,-0.3 -2,-0.2 0.894 102.3 56.0 -50.4 -48.4 66.5 3.1 98.4 215 215 A D H 3<5S+ 0 0 125 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.840 117.9 34.1 -54.7 -37.5 69.6 0.8 98.6 216 216 A Q H <<5S+ 0 0 117 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.858 138.0 14.8 -89.0 -39.7 70.3 1.3 94.9 217 217 A W H <5S+ 0 0 170 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.583 84.0 129.2-114.7 -11.5 69.2 4.9 94.3 218 218 A G << - 0 0 30 -4,-2.6 2,-0.1 -5,-0.6 -23,-0.0 -0.176 35.3-178.1 -49.2 129.1 68.8 6.5 97.8 219 219 A D > - 0 0 98 4,-0.0 3,-0.7 0, 0.0 -1,-0.1 -0.281 44.0 -78.1-113.9-159.3 70.7 9.8 98.0 220 220 A S T 3 S+ 0 0 110 1,-0.2 -2,-0.1 -2,-0.1 -21,-0.0 0.608 124.0 60.1 -82.0 -11.6 71.4 12.4 100.6 221 221 A R T 3 S+ 0 0 53 -27,-0.1 -21,-2.9 -22,-0.1 2,-0.6 0.463 90.5 90.3 -91.3 -1.4 68.0 14.1 100.2 222 222 A H E < -g 200 0A 8 -3,-0.7 2,-0.5 -23,-0.2 -21,-0.2 -0.854 60.7-166.5-103.0 115.5 66.5 10.7 101.3 223 223 A Y E -g 201 0A 54 -23,-2.8 -21,-2.7 -2,-0.6 2,-1.0 -0.869 14.4-147.2-106.5 126.0 65.9 10.2 105.0 224 224 A R E -g 202 0A 88 -2,-0.5 -21,-0.1 -23,-0.2 -23,-0.1 -0.796 27.4-138.3 -90.8 101.7 65.1 6.8 106.4 225 225 A A - 0 0 2 -23,-1.5 7,-0.1 -2,-1.0 8,-0.1 -0.206 10.9-148.3 -59.5 149.5 62.8 7.6 109.3 226 226 A Q S S+ 0 0 145 5,-0.1 2,-0.2 6,-0.1 -1,-0.1 0.641 84.5 66.7 -89.4 -20.0 63.2 5.7 112.5 227 227 A S S S- 0 0 47 4,-0.1 -23,-2.7 2,-0.1 2,-0.3 -0.583 78.9-131.6-100.2 163.1 59.5 6.0 113.0 228 228 A S > - 0 0 42 -25,-0.2 3,-1.0 -24,-0.2 4,-0.3 -0.736 62.3 -7.4-112.8 161.4 56.6 4.5 111.0 229 229 A H T >> S- 0 0 31 -217,-0.7 3,-2.6 -2,-0.3 4,-0.7 -0.049 129.6 -9.1 51.2-154.8 53.4 6.1 109.6 230 230 A A H >> S+ 0 0 0 -216,-0.4 4,-1.5 1,-0.3 3,-0.9 0.783 129.2 68.8 -40.1 -38.8 52.7 9.8 110.4 231 231 A G H <> S+ 0 0 13 -3,-1.0 4,-2.6 1,-0.3 -1,-0.3 0.861 92.7 58.4 -51.7 -38.9 55.5 9.7 113.0 232 232 A A H <> S+ 0 0 0 -3,-2.6 4,-2.9 -4,-0.3 -1,-0.3 0.891 103.5 53.4 -58.0 -40.2 58.0 9.5 110.1 233 233 A I H S+ 0 0 4 -4,-1.7 5,-2.8 1,-0.2 -1,-0.2 0.887 110.5 44.6 -65.6 -38.8 60.3 17.7 109.3 238 238 A A H <5S+ 0 0 76 -4,-1.8 3,-0.4 3,-0.2 -1,-0.2 0.837 113.9 52.9 -72.6 -32.7 62.5 18.0 112.4 239 239 A H H <5S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.937 114.4 36.9 -67.2 -53.1 65.3 16.4 110.4 240 240 A F T <5S- 0 0 41 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.272 111.0-124.3 -83.6 11.9 65.3 18.7 107.3 241 241 A D T > 5 + 0 0 102 -3,-0.4 3,-0.6 -5,-0.2 -3,-0.2 0.897 48.5 172.3 43.8 51.2 64.5 21.5 109.8 242 242 A F T 3 < + 0 0 19 -5,-2.8 -1,-0.1 1,-0.2 -238,-0.1 -0.527 62.5 24.4 -84.4 158.6 61.3 22.4 107.9 243 243 A L T 3 0 0 12 -240,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.884 360.0 360.0 51.5 36.9 58.9 25.0 109.3 244 244 A S < 0 0 137 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.333 360.0 360.0 -8.7 360.0 62.1 26.1 111.1