==== 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 03-JUN-04 1TJ3 . COMPND 2 MOLECULE: SUCROSE-PHOSPHATASE; . 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) . 11031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 10.2 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 . 3 1.2 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 . 19 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 16.4 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 0 1 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 . 1 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 . 1 1 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 0 195 0, 0.0 2,-0.2 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 -8.3 55.1 32.1 98.8 2 2 A R - 0 0 69 1,-0.1 33,-0.1 2,-0.1 32,-0.1 -0.549 360.0-123.0 -90.7 162.3 55.0 29.6 101.6 3 3 A Q S S+ 0 0 81 31,-0.6 2,-0.4 -2,-0.2 32,-0.2 0.646 87.6 40.2 -80.6 -17.1 58.1 28.0 103.1 4 4 A L E -a 35 0A 0 30,-1.2 32,-2.5 238,-0.1 2,-0.7 -0.995 52.4-162.2-140.7 138.0 57.2 24.4 102.6 5 5 A L E -ab 36 181A 1 175,-2.6 177,-2.4 -2,-0.4 2,-0.6 -0.919 23.5-164.6-113.6 98.3 55.5 22.2 99.9 6 6 A L E +ab 37 182A 0 30,-2.4 32,-2.5 -2,-0.7 2,-0.5 -0.789 10.5 178.0 -91.8 117.0 54.5 19.1 101.8 7 7 A I E +ab 38 183A 0 175,-3.1 177,-1.7 -2,-0.6 2,-0.3 -0.978 9.1 164.5-121.0 127.5 53.6 16.1 99.5 8 8 A S E -ab 39 184A 0 30,-2.1 32,-2.2 -2,-0.5 177,-0.2 -0.995 36.1-122.4-146.1 150.2 52.7 12.8 101.0 9 9 A D > - 0 0 5 175,-1.5 5,-1.3 -2,-0.3 32,-0.2 -0.478 25.0-145.1 -80.7 159.6 51.1 9.5 100.1 10 10 A L T > >S+ 0 0 0 3,-0.2 5,-3.1 4,-0.2 3,-1.6 0.932 71.0 68.1 -93.6 -68.5 48.1 8.5 102.3 11 11 A D B 3 5S-h 15 0B 50 1,-0.3 5,-0.1 3,-0.2 175,-0.1 -0.323 122.3 -5.8 -59.7 131.4 47.9 4.8 102.9 12 12 A N T 3 5S+ 0 0 74 3,-0.6 217,-0.5 1,-0.2 -1,-0.3 0.478 136.0 58.9 62.9 3.9 50.7 3.5 105.1 13 13 A T T < 5S+ 0 0 0 -3,-1.6 219,-0.2 2,-0.3 -3,-0.2 0.580 123.5 4.3-119.4 -78.3 52.3 6.9 105.0 14 14 A W T - 0 0 64 -3,-0.3 4,-2.5 -4,-0.2 5,-0.2 -0.894 66.0-167.2-115.6 96.5 48.9 5.1 112.8 18 18 A Q H > S+ 0 0 75 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.849 85.8 50.6 -53.6 -41.3 46.0 7.1 114.0 19 19 A Q H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 113.9 44.3 -66.0 -42.0 47.8 8.6 117.0 20 20 A A H > S+ 0 0 5 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.817 110.3 55.4 -71.7 -30.4 50.7 9.7 114.8 21 21 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 110.0 48.7 -66.2 -40.0 48.3 11.0 112.2 22 22 A E H X S+ 0 0 102 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.898 112.2 43.2 -69.4 -43.2 46.8 13.1 115.0 23 23 A H H X S+ 0 0 83 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.785 113.1 54.0 -77.3 -19.8 49.9 14.6 116.5 24 24 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.918 112.9 44.2 -72.5 -42.6 51.3 15.3 113.0 25 25 A Q H X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.845 109.9 53.9 -71.2 -33.4 48.1 17.1 112.2 26 26 A E H X S+ 0 0 134 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.937 111.2 48.1 -66.3 -41.5 47.9 19.0 115.5 27 27 A Y H >< S+ 0 0 65 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.984 114.8 42.0 -59.7 -61.1 51.5 20.3 114.8 28 28 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.813 105.5 69.5 -57.2 -28.9 50.8 21.4 111.2 29 29 A G H >< S+ 0 0 38 -4,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.793 95.3 52.0 -61.4 -29.1 47.5 22.8 112.4 30 30 A D T << S+ 0 0 129 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.345 119.7 34.1 -89.9 7.2 49.3 25.6 114.4 31 31 A R T X S+ 0 0 74 -3,-1.7 3,-2.2 -4,-0.2 -1,-0.2 -0.084 75.8 141.6-148.5 31.7 51.3 26.7 111.4 32 32 A R G X + 0 0 67 -3,-0.6 3,-0.9 1,-0.3 -2,-0.1 0.750 67.1 56.5 -50.5 -35.1 48.8 26.0 108.7 33 33 A G G 3 S+ 0 0 51 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.436 93.8 71.0 -82.9 2.9 49.6 29.1 106.6 34 34 A N G < S+ 0 0 67 -3,-2.2 -30,-1.2 -6,-0.2 -31,-0.6 0.398 98.5 40.4 -99.3 2.7 53.3 28.2 106.3 35 35 A F E < -a 4 0A 0 -3,-0.9 2,-0.4 -32,-0.2 -30,-0.2 -0.999 67.0-131.8-152.8 148.2 52.9 25.2 103.9 36 36 A Y E -a 5 0A 32 -32,-2.5 -30,-2.4 -2,-0.3 2,-0.5 -0.827 31.8-148.1 -93.8 133.8 51.1 24.0 100.9 37 37 A L E +a 6 0A 0 -2,-0.4 24,-1.9 -32,-0.2 25,-1.8 -0.906 19.6 175.2-111.2 134.2 49.7 20.5 101.4 38 38 A A E -ac 7 62A 0 -32,-2.5 -30,-2.1 -2,-0.5 2,-0.6 -0.997 19.7-150.2-138.4 131.2 49.3 17.9 98.7 39 39 A Y E -ac 8 63A 0 23,-1.6 25,-3.4 -2,-0.4 2,-0.8 -0.900 8.6-167.1-101.0 119.6 48.2 14.3 99.0 40 40 A A E + c 0 64A 0 -32,-2.2 2,-0.3 -2,-0.6 25,-0.2 -0.858 26.3 163.1-107.8 93.8 49.8 12.1 96.2 41 41 A T - 0 0 0 23,-1.5 26,-2.8 -2,-0.8 27,-0.5 -0.725 50.4-134.1-113.5 161.8 47.7 8.9 96.5 42 42 A G S S+ 0 0 19 24,-0.3 2,-0.1 -2,-0.3 23,-0.1 0.384 82.0 98.6 -90.6 2.3 47.2 5.9 94.3 43 43 A R S S- 0 0 48 1,-0.1 23,-3.4 23,-0.1 24,-0.2 -0.440 83.1-103.1 -86.0 162.8 43.5 6.2 95.1 44 44 A S > - 0 0 32 21,-0.2 4,-2.2 -2,-0.1 5,-0.1 -0.291 39.3-104.1 -74.8 169.5 40.8 7.9 92.9 45 45 A Y H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 123.9 46.3 -63.1 -44.3 39.7 11.3 94.0 46 46 A H H > S+ 0 0 150 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 110.4 52.2 -64.6 -41.9 36.5 9.9 95.4 47 47 A S H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 110.4 50.3 -60.4 -39.2 38.3 7.1 97.2 48 48 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.905 107.5 51.5 -65.7 -43.2 40.5 9.7 98.8 49 49 A R H X S+ 0 0 55 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.915 108.8 53.4 -60.4 -42.0 37.7 11.9 100.0 50 50 A E H >X S+ 0 0 35 -4,-2.2 4,-2.1 1,-0.2 3,-1.0 0.969 108.4 48.1 -55.6 -56.0 36.1 8.8 101.6 51 51 A L H 3X>S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.3 5,-0.5 0.894 104.9 60.6 -51.8 -43.0 39.3 8.0 103.4 52 52 A Q H 3X>S+ 0 0 24 -4,-2.4 4,-1.6 1,-0.2 5,-1.1 0.877 106.5 46.9 -53.2 -38.3 39.5 11.6 104.6 53 53 A K H <<5S+ 0 0 165 -4,-1.6 -1,-0.2 -3,-1.0 -2,-0.2 0.934 110.5 52.9 -69.7 -45.9 36.1 11.0 106.3 54 54 A Q H <5S+ 0 0 140 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.938 126.8 18.0 -54.4 -56.7 37.3 7.7 107.9 55 55 A V H <5S- 0 0 26 -4,-2.4 -1,-0.2 -34,-0.0 -2,-0.2 0.539 104.4-114.4 -96.9 -9.6 40.4 9.0 109.6 56 56 A G T << - 0 0 40 -4,-1.6 -3,-0.2 -5,-0.5 2,-0.2 0.973 38.7-164.8 74.2 54.8 39.8 12.8 109.5 57 57 A L < - 0 0 6 -5,-1.1 2,-0.1 -6,-0.2 -1,-0.1 -0.488 25.6-108.3 -71.1 140.3 42.5 13.9 107.2 58 58 A M - 0 0 31 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.466 43.0 -93.5 -72.1 142.3 43.2 17.6 107.2 59 59 A E - 0 0 94 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.369 46.5-150.5 -59.0 121.2 42.0 19.5 104.1 60 60 A P - 0 0 12 0, 0.0 -22,-0.2 0, 0.0 3,-0.1 -0.454 20.4-125.7 -90.3 164.8 44.9 19.7 101.6 61 61 A D S S+ 0 0 34 -24,-1.9 2,-0.3 1,-0.2 -23,-0.2 0.763 92.7 13.4 -79.6 -27.6 45.6 22.4 99.0 62 62 A Y E -c 38 0A 22 -25,-1.8 -23,-1.6 11,-0.1 2,-0.5 -0.966 61.0-142.7-146.5 162.1 45.8 19.8 96.3 63 63 A W E -cD 39 72A 10 9,-1.3 9,-2.3 -2,-0.3 2,-1.1 -0.967 7.1-170.9-129.7 111.3 45.1 16.2 95.5 64 64 A L E +cD 40 71A 0 -25,-3.4 -23,-1.5 -2,-0.5 3,-0.3 -0.809 32.6 178.3-101.4 87.7 47.5 14.3 93.3 65 65 A T E >>> + D 0 70A 0 5,-1.8 5,-1.4 -2,-1.1 3,-1.1 -0.350 45.0 27.2 -91.7 170.8 45.3 11.3 92.9 66 66 A A G >45S- 0 0 5 -23,-3.4 3,-1.0 1,-0.3 -24,-0.3 0.853 134.2 -53.8 46.0 46.4 45.5 8.0 91.0 67 67 A V G 345S- 0 0 0 -26,-2.8 95,-0.7 -3,-0.3 -1,-0.3 0.815 110.9 -46.0 63.3 32.1 49.3 8.0 91.1 68 68 A G G <45S+ 0 0 0 -3,-1.1 -1,-0.3 -27,-0.5 -2,-0.2 0.500 109.3 123.8 88.9 4.0 49.4 11.5 89.6 69 69 A S T <<5S+ 0 0 0 -3,-1.0 2,-0.4 -4,-0.8 -3,-0.2 0.894 78.6 23.2 -62.7 -41.6 46.9 10.6 86.9 70 70 A E E < -D 65 0A 31 -5,-1.4 -5,-1.8 2,-0.0 2,-0.5 -0.991 67.6-156.5-132.1 138.2 44.6 13.4 87.9 71 71 A I E -D 64 0A 0 -2,-0.4 7,-3.1 7,-0.3 2,-0.6 -0.952 9.1-159.0-115.4 123.9 45.3 16.7 89.8 72 72 A Y E -DE 63 77A 37 -9,-2.3 -9,-1.3 -2,-0.5 5,-0.2 -0.911 4.2-166.7-109.0 119.1 42.5 18.4 91.6 73 73 A H E > - E 0 76A 38 3,-2.6 3,-1.5 -2,-0.6 -11,-0.1 -0.383 45.0 -95.5 -87.0 173.3 42.8 22.1 92.4 74 74 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.882 129.4 47.9 -60.3 -33.2 40.4 23.7 94.9 75 75 A E T 3 S- 0 0 108 1,-0.3 2,-0.2 2,-0.0 -3,-0.0 0.427 125.7 -84.2 -86.7 0.5 38.2 24.7 92.0 76 76 A G E < S-E 73 0A 29 -3,-1.5 -3,-2.6 2,-0.0 -1,-0.3 -0.714 72.4 -8.5 130.1-179.4 38.3 21.3 90.3 77 77 A L E -E 72 0A 63 -5,-0.2 2,-0.9 -2,-0.2 -5,-0.2 -0.202 65.0-116.9 -55.2 137.0 40.2 18.9 88.0 78 78 A D > - 0 0 13 -7,-3.1 4,-1.3 1,-0.2 -7,-0.3 -0.685 28.6-173.1 -80.0 108.9 43.2 20.4 86.2 79 79 A Q H > S+ 0 0 108 -2,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.710 80.6 60.7 -76.2 -21.4 42.2 20.1 82.6 80 80 A H H > S+ 0 0 115 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.974 104.7 47.8 -67.5 -52.8 45.6 21.3 81.4 81 81 A W H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 111.2 52.2 -53.3 -43.5 47.4 18.3 83.1 82 82 A A H X S+ 0 0 3 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.884 110.5 45.7 -63.6 -41.0 44.8 15.9 81.5 83 83 A D H X S+ 0 0 89 -4,-1.8 4,-0.6 -3,-0.2 -1,-0.2 0.784 112.2 54.8 -72.9 -24.7 45.4 17.3 78.0 84 84 A Y H >< S+ 0 0 85 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.910 110.9 42.0 -73.3 -43.5 49.1 17.0 78.7 85 85 A L H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.707 105.9 66.9 -76.7 -19.1 49.0 13.4 79.7 86 86 A S H >< S+ 0 0 53 -4,-1.3 3,-1.5 -5,-0.2 -1,-0.2 0.721 73.6 107.8 -75.0 -21.4 46.6 12.6 76.8 87 87 A E T << S- 0 0 104 -4,-0.6 3,-0.1 -3,-0.6 -3,-0.0 -0.394 99.6 -10.1 -62.4 125.2 49.2 13.3 74.1 88 88 A H T 3 S+ 0 0 128 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.526 100.1 136.9 65.9 4.3 50.4 10.2 72.4 89 89 A W < - 0 0 25 -3,-1.5 2,-0.4 53,-0.1 -1,-0.2 -0.725 29.9-179.6 -86.9 125.4 48.7 8.1 75.0 90 90 A Q >> + 0 0 109 -2,-0.5 4,-1.7 1,-0.2 3,-0.6 -0.708 4.9 175.5-129.5 83.4 46.8 5.1 73.6 91 91 A R H 3> S+ 0 0 46 -2,-0.4 4,-2.8 23,-0.2 5,-0.3 0.877 74.0 60.2 -51.2 -51.1 45.2 3.3 76.5 92 92 A D H 3> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.845 107.6 44.9 -52.5 -40.4 43.3 0.7 74.4 93 93 A I H <> S+ 0 0 78 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.939 113.5 49.0 -70.2 -46.8 46.5 -0.7 72.9 94 94 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.881 113.0 49.3 -59.4 -37.2 48.3 -0.8 76.2 95 95 A Q H X S+ 0 0 60 -4,-2.8 4,-3.5 2,-0.2 -1,-0.2 0.892 106.1 55.3 -69.6 -41.1 45.3 -2.6 77.7 96 96 A A H X S+ 0 0 68 -4,-2.0 4,-0.6 -5,-0.3 -2,-0.2 0.934 113.4 42.3 -57.2 -46.7 45.1 -5.1 74.9 97 97 A I H >< S+ 0 0 40 -4,-2.2 3,-1.1 2,-0.2 4,-0.3 0.955 116.9 46.2 -64.8 -51.6 48.7 -6.1 75.6 98 98 A A H >< S+ 0 0 0 -4,-2.6 3,-2.0 1,-0.3 -2,-0.2 0.916 106.3 58.9 -58.3 -46.7 48.4 -6.0 79.4 99 99 A D H 3< S+ 0 0 79 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.701 93.8 70.6 -56.6 -20.7 45.2 -8.0 79.3 100 100 A G T << S+ 0 0 64 -3,-1.1 2,-0.6 -4,-0.6 -1,-0.3 0.657 74.0 95.1 -73.9 -16.4 47.1 -10.8 77.5 101 101 A F X - 0 0 27 -3,-2.0 3,-1.6 -4,-0.3 -3,-0.0 -0.675 62.9-155.9 -81.0 118.8 49.1 -11.8 80.6 102 102 A E T 3 S+ 0 0 109 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.830 93.8 60.2 -61.2 -31.6 47.4 -14.7 82.4 103 103 A A T 3 S+ 0 0 21 23,-0.1 19,-2.0 -3,-0.1 2,-0.5 0.549 94.0 79.0 -74.4 -8.6 49.2 -13.6 85.6 104 104 A L E < -I 121 0C 12 -3,-1.6 17,-0.2 17,-0.2 -1,-0.0 -0.902 57.9-173.8-108.6 124.1 47.5 -10.2 85.5 105 105 A K E -I 120 0C 55 15,-2.1 15,-2.2 -2,-0.5 -3,-0.0 -0.949 32.6-111.0-113.8 133.3 44.0 -9.7 86.6 106 106 A P E -I 119 0C 84 0, 0.0 13,-0.3 0, 0.0 2,-0.1 -0.277 29.9-126.2 -59.8 143.8 42.3 -6.3 86.1 107 107 A Q - 0 0 24 11,-2.3 11,-0.1 1,-0.2 5,-0.1 -0.346 52.2 -56.3 -82.6 174.4 41.6 -4.3 89.2 108 108 A S > - 0 0 61 1,-0.1 3,-2.4 2,-0.1 4,-0.3 -0.095 49.6-117.9 -48.7 145.0 38.2 -2.9 89.9 109 109 A P G > S+ 0 0 107 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.862 115.7 62.4 -56.1 -33.4 36.7 -0.7 87.1 110 110 A L G 3 S+ 0 0 142 1,-0.3 -66,-0.1 -66,-0.0 -2,-0.1 0.496 93.5 62.6 -72.1 -1.8 36.7 2.1 89.6 111 111 A E G < S+ 0 0 59 -3,-2.4 -1,-0.3 7,-0.1 2,-0.2 0.425 95.2 83.2 -97.1 -3.8 40.5 1.9 89.9 112 112 A Q < + 0 0 46 -3,-1.8 5,-0.2 -4,-0.3 -46,-0.0 -0.577 49.8 165.3 -99.6 162.1 40.7 2.8 86.3 113 113 A N B > -L 116 0D 23 3,-1.5 3,-2.5 -2,-0.2 -2,-0.0 -0.944 56.5 -80.5-163.6 164.7 40.6 6.2 84.5 114 114 A P T 3 S+ 0 0 73 0, 0.0 -23,-0.2 0, 0.0 3,-0.1 0.720 131.1 32.8 -44.4 -27.6 41.5 7.5 81.0 115 115 A W T 3 S+ 0 0 25 1,-0.1 2,-0.4 -25,-0.1 46,-0.1 0.166 110.4 69.7-119.8 18.2 45.2 7.6 82.0 116 116 A K B < -L 113 0D 4 -3,-2.5 -3,-1.5 41,-0.1 2,-0.6 -0.914 47.1-179.2-144.9 115.0 45.5 4.7 84.4 117 117 A I E - 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0 0 6 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.736 38.8-126.3 -99.1 148.1 58.1 26.3 95.0 177 177 A E > - 0 0 113 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.588 17.1-120.4 -93.7 154.8 61.7 25.1 95.0 178 178 A P G > S+ 0 0 34 0, 0.0 3,-1.5 0, 0.0 21,-1.0 0.878 117.1 56.6 -58.7 -35.9 62.9 21.5 95.4 179 179 A S G 3 S+ 0 0 64 1,-0.3 19,-0.1 19,-0.2 -3,-0.0 0.661 107.8 48.4 -69.7 -15.4 64.8 22.5 98.5 180 180 A Q G < S+ 0 0 59 -3,-1.5 -175,-2.6 -176,-0.1 2,-0.4 0.305 99.7 89.5-102.8 3.3 61.4 23.8 99.9 181 181 A T E < -b 5 0A 0 -3,-1.5 18,-2.6 -4,-0.2 2,-0.5 -0.880 53.4-169.9-110.1 135.8 59.7 20.5 99.0 182 182 A L E -bf 6 199A 0 -177,-2.4 -175,-3.1 -2,-0.4 2,-0.4 -0.983 5.1-167.0-123.9 122.0 59.3 17.4 101.1 183 183 A V E -bf 7 200A 0 16,-2.6 18,-2.8 -2,-0.5 2,-0.4 -0.893 2.3-164.8-109.7 139.6 58.0 14.1 99.6 184 184 A C E +bf 8 201A 0 -177,-1.7 -175,-1.5 -2,-0.4 2,-0.3 -0.984 17.5 157.4-126.4 131.5 56.9 11.2 101.8 185 185 A G E - f 0 202A 0 16,-1.8 18,-1.8 -2,-0.4 21,-0.1 -0.915 31.7-170.0-147.2 173.8 56.3 7.7 100.6 186 186 A D + 0 0 3 -2,-0.3 21,-3.9 16,-0.2 24,-0.3 0.473 68.9 29.2-141.0 -16.7 56.1 4.0 101.5 187 187 A S S > S- 0 0 6 19,-0.2 3,-1.2 23,-0.1 4,-0.3 -0.624 90.4 -75.6-136.1-164.9 55.9 1.9 98.2 188 188 A G G > S+ 0 0 8 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.725 119.6 62.2 -71.1 -24.0 56.8 1.6 94.6 189 189 A N G 3 S+ 0 0 16 1,-0.2 -26,-0.3 2,-0.1 -1,-0.3 0.389 102.0 56.1 -82.8 5.7 54.2 4.0 93.4 190 190 A D G X> S+ 0 0 0 -3,-1.2 3,-1.4 2,-0.1 4,-1.1 0.469 78.3 91.7-109.3 -9.9 56.1 6.6 95.5 191 191 A I H <> S+ 0 0 34 -3,-0.8 4,-1.3 1,-0.3 3,-0.4 0.885 78.7 62.1 -53.7 -41.8 59.4 6.0 93.7 192 192 A G H 3> S+ 0 0 5 -4,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.831 98.7 58.6 -55.0 -30.8 58.6 8.8 91.2 193 193 A L H X4 S+ 0 0 0 -3,-1.4 3,-0.8 1,-0.2 5,-0.4 0.930 107.8 43.0 -64.6 -45.5 58.6 11.2 94.2 194 194 A F H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.592 101.9 67.5 -77.6 -11.6 62.1 10.4 95.2 195 195 A E H 3< S+ 0 0 112 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.743 90.0 87.3 -75.3 -22.6 63.3 10.5 91.6 196 196 A T S << S- 0 0 0 -3,-0.8 -13,-0.1 -4,-0.7 -31,-0.1 -0.263 92.6-120.2 -69.4 159.5 62.4 14.2 92.1 197 197 A S S S+ 0 0 66 2,-0.1 -1,-0.1 -2,-0.0 -16,-0.1 0.296 77.3 113.3 -88.6 13.5 65.1 16.5 93.4 198 198 A A S S- 0 0 1 -5,-0.4 2,-0.4 1,-0.1 -16,-0.2 -0.258 82.7 -89.4 -77.3 169.1 62.9 17.4 96.4 199 199 A R E -f 182 0A 74 -18,-2.6 -16,-2.6 -21,-1.0 2,-0.3 -0.652 56.6-168.9 -77.8 132.7 63.8 16.5 100.0 200 200 A G E -fg 183 222A 0 21,-2.6 23,-2.9 -2,-0.4 2,-0.4 -0.940 20.4-157.6-132.4 154.7 62.2 13.1 100.7 201 201 A V E -fg 184 223A 0 -18,-2.8 -16,-1.8 -2,-0.3 2,-0.5 -0.987 7.1-153.7-129.4 137.8 61.5 10.8 103.5 202 202 A I E -fg 185 224A 0 21,-2.8 23,-1.7 -2,-0.4 -16,-0.2 -0.947 23.7-128.2-111.3 122.7 60.9 7.0 103.5 203 203 A V > - 0 0 0 -18,-1.8 3,-1.4 -2,-0.5 25,-0.2 -0.303 16.3-121.1 -67.6 153.2 58.8 5.6 106.3 204 204 A R T 3 S+ 0 0 150 23,-2.5 24,-0.2 1,-0.3 -1,-0.1 0.871 113.2 59.5 -62.6 -36.8 60.1 2.7 108.3 205 205 A N T 3 S+ 0 0 45 22,-0.2 -1,-0.3 -193,-0.2 -2,-0.1 0.154 84.1 145.1 -78.3 22.0 57.1 0.6 107.4 206 206 A A < - 0 0 11 -3,-1.4 -19,-0.2 1,-0.1 -20,-0.1 -0.238 54.0-103.6 -64.0 148.0 58.2 1.0 103.7 207 207 A Q >> - 0 0 58 -21,-3.9 4,-2.1 1,-0.1 3,-0.9 -0.405 29.1-110.9 -73.9 147.9 57.7 -1.7 101.2 208 208 A P H 3> S+ 0 0 89 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.843 114.9 56.5 -41.8 -51.4 60.7 -3.8 100.0 209 209 A E H 3> S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 109.0 45.4 -54.3 -44.1 60.7 -2.3 96.5 210 210 A L H <> S+ 0 0 0 -3,-0.9 4,-2.4 -24,-0.3 -1,-0.2 0.940 112.8 50.2 -67.9 -45.4 61.1 1.2 97.8 211 211 A L H X S+ 0 0 37 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.949 109.8 51.5 -56.3 -48.6 63.8 0.2 100.3 212 212 A H H X S+ 0 0 110 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.895 108.0 52.7 -54.9 -41.0 65.6 -1.6 97.4 213 213 A W H >X>S+ 0 0 28 -4,-1.9 4,-3.2 -5,-0.2 3,-0.7 0.918 107.6 52.0 -60.1 -44.1 65.3 1.6 95.4 214 214 A Y H 3X5S+ 0 0 62 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.861 102.1 58.3 -62.0 -38.5 66.9 3.5 98.3 215 215 A D H 3<5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.779 119.3 31.2 -64.5 -24.1 69.9 1.2 98.6 216 216 A Q H <<5S+ 0 0 120 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.801 137.8 17.2-101.9 -39.0 70.7 2.0 94.9 217 217 A W H <5S+ 0 0 167 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.608 81.0 134.7-110.4 -17.3 69.6 5.5 94.3 218 218 A G << - 0 0 31 -4,-1.2 2,-0.2 -5,-0.7 -4,-0.1 -0.074 36.5-173.8 -38.0 115.0 69.2 6.8 97.9 219 219 A D > - 0 0 82 4,-0.0 3,-1.4 1,-0.0 -2,-0.1 -0.440 41.4 -90.1-106.8-177.7 70.9 10.2 97.7 220 220 A S T 3 S+ 0 0 111 1,-0.3 -2,-0.1 -2,-0.2 -21,-0.0 0.708 124.3 60.5 -70.3 -18.2 71.7 12.8 100.5 221 221 A R T 3 S+ 0 0 48 -27,-0.1 -21,-2.6 -22,-0.1 2,-0.6 0.520 92.0 86.4 -83.9 -5.0 68.3 14.5 100.0 222 222 A H E < -g 200 0A 7 -3,-1.4 2,-0.5 -23,-0.2 -21,-0.2 -0.862 62.7-165.7-102.9 122.7 66.7 11.2 100.9 223 223 A Y E -g 201 0A 52 -23,-2.9 -21,-2.8 -2,-0.6 2,-0.9 -0.904 13.9-148.8-112.1 130.5 66.1 10.4 104.6 224 224 A R E -g 202 0A 87 -2,-0.5 -21,-0.1 -23,-0.2 -23,-0.1 -0.831 28.0-143.1 -96.6 100.7 65.2 6.9 106.0 225 225 A A - 0 0 2 -23,-1.7 7,-0.1 -2,-0.9 8,-0.1 -0.113 15.6-145.6 -64.0 159.0 63.1 7.6 109.0 226 226 A Q S S+ 0 0 157 5,-0.1 2,-0.1 6,-0.1 -1,-0.1 0.661 83.6 72.5 -91.9 -25.9 63.1 5.6 112.3 227 227 A S S S- 0 0 46 4,-0.1 -23,-2.5 5,-0.1 2,-0.3 -0.457 76.0-134.7 -89.3 163.0 59.4 6.2 112.7 228 228 A S > - 0 0 40 -25,-0.2 3,-1.2 -24,-0.2 4,-0.5 -0.728 62.7 -8.9-112.7 165.4 56.6 4.6 110.7 229 229 A H T >> S- 0 0 32 -217,-0.5 3,-1.9 -2,-0.3 4,-0.6 -0.034 130.7 -8.8 47.1-145.3 53.5 6.3 109.2 230 230 A A H >> S+ 0 0 0 -216,-0.5 4,-1.3 1,-0.3 3,-1.1 0.773 128.1 69.5 -51.8 -30.6 52.8 9.9 110.1 231 231 A G H <> S+ 0 0 13 -3,-1.2 4,-2.2 1,-0.3 -1,-0.3 0.821 91.3 60.2 -58.8 -32.0 55.6 9.9 112.7 232 232 A A H <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.5 -1,-0.3 0.807 101.5 55.2 -65.3 -29.7 58.1 9.6 109.9 233 233 A I H S+ 0 0 3 -4,-2.3 5,-2.2 1,-0.2 -1,-0.2 0.848 111.7 45.0 -62.2 -34.0 60.4 17.9 109.1 238 238 A A H <5S+ 0 0 78 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.845 112.6 54.5 -76.6 -34.3 62.7 18.1 112.1 239 239 A H H <5S+ 0 0 95 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.968 113.5 36.1 -63.1 -58.9 65.5 16.5 110.1 240 240 A F T <5S- 0 0 40 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.403 110.2-121.0 -78.2 3.8 65.5 18.9 107.1 241 241 A D T > 5 + 0 0 107 -3,-0.3 3,-0.5 -5,-0.2 -3,-0.2 0.912 51.2 168.8 56.9 47.6 64.8 21.8 109.5 242 242 A F T 3 < + 0 0 23 -5,-2.2 -1,-0.2 1,-0.2 -238,-0.1 -0.565 59.7 26.8 -87.3 156.5 61.6 22.8 107.7 243 243 A L T 3 0 0 17 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.902 360.0 360.0 57.3 39.9 59.1 25.2 109.3 244 244 A S < 0 0 141 -3,-0.5 -1,-0.2 0, 0.0 -2,-0.1 -0.037 360.0 360.0 -33.5 360.0 62.2 26.6 111.1