==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-11 2YFO . COMPND 2 MOLECULE: ALPHA-GALACTOSIDASE-SUCROSE KINASE AGASK; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS GNAVUS E1; . AUTHOR G.SULZENBACHER,L.BRUEL,M.TISON-CERVERA,A.PUJOL,C.NICOLETTI,J . 719 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 60 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 1 0 1 0 1 1 0 0 1 2 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 1 3 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 . 8 2 3 4 2 3 5 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 3 1 0 0 1 1 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 A 0 0 28 0, 0.0 13,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.5 55.6 35.4 54.6 2 3 A I E -A 13 0A 9 11,-0.2 2,-0.3 129,-0.1 11,-0.2 -0.987 360.0-178.0-131.9 125.0 57.7 33.7 52.0 3 4 A I E -A 12 0A 89 9,-2.6 9,-2.5 -2,-0.4 2,-0.4 -0.934 14.5-157.6-124.5 142.4 61.5 34.6 51.7 4 5 A Y E -A 11 0A 54 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.987 2.2-163.1-119.2 127.7 64.2 33.5 49.4 5 6 A N E >> -A 10 0A 55 5,-2.8 5,-1.5 -2,-0.4 4,-1.5 -0.926 8.2-167.8-103.3 103.7 67.9 33.8 50.4 6 7 A P T 45S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.825 81.0 54.8 -67.8 -29.1 69.7 33.5 47.0 7 8 A N T 45S+ 0 0 143 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.922 121.2 28.7 -71.3 -42.8 73.2 33.0 48.5 8 9 A K T 45S- 0 0 77 2,-0.1 -1,-0.2 -3,-0.0 16,-0.1 0.550 103.5-130.5 -88.8 -10.8 72.2 30.0 50.6 9 10 A K T <5 + 0 0 86 -4,-1.5 15,-2.6 1,-0.2 2,-0.4 0.870 55.0 153.4 57.8 42.1 69.4 29.0 48.2 10 11 A I E < -AB 5 23A 3 -5,-1.5 -5,-2.8 13,-0.2 2,-0.5 -0.871 34.5-160.1-105.5 132.8 67.0 28.8 51.1 11 12 A F E -AB 4 22A 0 11,-2.1 11,-2.5 -2,-0.4 2,-0.5 -0.953 11.3-166.5-107.4 127.6 63.2 29.3 50.9 12 13 A T E -AB 3 21A 16 -9,-2.5 -9,-2.6 -2,-0.5 2,-0.5 -0.973 7.1-164.8-118.5 129.8 61.5 30.1 54.2 13 14 A L E -AB 2 20A 0 7,-3.1 7,-2.5 -2,-0.5 2,-0.5 -0.957 12.1-169.8-110.9 120.2 57.8 30.0 54.8 14 15 A H E + B 0 19A 20 -13,-2.9 5,-0.2 -2,-0.5 2,-0.2 -0.954 9.5 179.7-113.0 133.5 56.5 31.8 57.9 15 16 A T - 0 0 0 3,-2.7 138,-0.2 -2,-0.5 139,-0.2 -0.437 55.9 -79.9-104.6-171.4 53.1 31.6 59.4 16 17 A A S S+ 0 0 36 137,-2.4 138,-0.1 136,-0.2 137,-0.1 0.894 125.7 5.6 -58.2 -39.3 52.1 33.4 62.6 17 18 A H S S+ 0 0 125 136,-0.3 21,-1.4 281,-0.1 2,-0.3 0.356 121.5 64.5-130.6 4.6 53.6 30.8 64.8 18 19 A T E - C 0 37A 4 19,-0.3 -3,-2.7 135,-0.1 2,-0.4 -0.917 53.3-155.8-134.8 157.1 55.4 28.3 62.5 19 20 A T E -BC 14 36A 0 17,-2.3 17,-2.2 -2,-0.3 2,-0.4 -0.996 4.1-171.4-132.4 136.4 58.4 28.1 60.1 20 21 A Y E -BC 13 35A 0 -7,-2.5 -7,-3.1 -2,-0.4 2,-0.4 -0.999 15.7-173.3-125.2 127.5 58.9 25.7 57.2 21 22 A Q E +BC 12 34A 5 13,-2.9 12,-2.5 -2,-0.4 13,-1.8 -0.982 10.8 172.7-135.6 142.2 62.3 25.8 55.5 22 23 A M E -BC 11 32A 0 -11,-2.5 -11,-2.1 -2,-0.4 2,-0.3 -0.882 11.4-155.7-139.7 163.6 63.9 24.2 52.4 23 24 A Q E -BC 10 31A 25 8,-2.5 8,-3.1 -2,-0.3 2,-0.6 -0.997 18.4-133.0-148.7 137.6 67.1 24.5 50.5 24 25 A V E - C 0 30A 7 -15,-2.6 6,-0.2 -2,-0.3 5,-0.0 -0.861 35.7-144.8 -86.2 121.2 68.4 23.9 47.0 25 26 A D > - 0 0 5 4,-2.6 3,-1.7 -2,-0.6 -1,-0.0 -0.198 29.7 -91.3 -81.8 176.8 71.7 22.1 47.4 26 27 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.661 127.3 51.6 -66.5 -16.0 74.9 22.5 45.2 27 28 A L T 3 S- 0 0 44 2,-0.1 33,-0.1 34,-0.0 34,-0.0 0.494 122.7-103.3 -93.7 -4.6 73.7 19.6 43.0 28 29 A G S < S+ 0 0 13 -3,-1.7 76,-2.6 1,-0.3 2,-0.2 0.420 72.9 141.4 97.5 2.0 70.2 21.1 42.5 29 30 A Y - 0 0 13 74,-0.2 -4,-2.6 1,-0.1 2,-1.0 -0.560 52.2-128.4 -78.8 144.3 68.3 18.9 44.9 30 31 A L E -C 24 0A 9 72,-0.4 45,-2.2 -2,-0.2 46,-0.5 -0.769 32.5-168.2 -97.2 103.2 65.5 20.4 46.9 31 32 A L E -CD 23 74A 0 -8,-3.1 -8,-2.5 -2,-1.0 2,-0.5 -0.587 19.7-128.3 -93.4 148.2 66.1 19.5 50.5 32 33 A H E +C 22 0A 4 41,-1.2 -10,-0.3 -10,-0.2 3,-0.1 -0.881 28.3 173.2 -95.0 124.6 63.8 19.9 53.5 33 34 A L E - 0 0 12 -12,-2.5 2,-0.3 -2,-0.5 -11,-0.2 0.810 53.4 -16.4 -96.6 -44.3 65.4 21.6 56.4 34 35 A Y E -C 21 0A 54 -13,-1.8 -13,-2.9 150,-0.1 -1,-0.3 -0.982 36.4-176.1-165.4 145.0 62.8 22.3 59.1 35 36 A Y E +C 20 0A 7 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.852 54.2 66.9-149.5 121.0 59.1 22.5 60.0 36 37 A G E S+C 19 0A 1 -17,-2.2 -17,-2.3 -2,-0.3 3,-0.1 -0.930 77.9 16.3 172.2-148.1 58.1 23.6 63.5 37 38 A E E S-C 18 0A 90 -2,-0.3 -19,-0.3 -19,-0.2 -1,-0.1 -0.206 89.2 -83.7 -54.8 145.1 58.2 26.6 65.9 38 39 A K + 0 0 101 -21,-1.4 2,-0.3 -20,-0.1 -1,-0.1 -0.172 59.6 164.1 -58.0 132.4 58.8 30.0 64.3 39 40 A T - 0 0 29 -3,-0.1 4,-0.1 2,-0.1 -3,-0.1 -0.986 39.8-155.0-150.4 142.0 62.5 30.8 63.7 40 41 A N + 0 0 149 -2,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.356 66.2 112.5 -90.4 0.5 64.6 33.3 61.7 41 42 A S S S- 0 0 63 1,-0.1 2,-0.8 2,-0.0 -2,-0.1 -0.330 76.6-114.9 -70.1 156.6 67.6 31.0 61.7 42 43 A S > - 0 0 43 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.839 27.3-163.5 -85.9 115.8 69.1 29.2 58.8 43 44 A M G > + 0 0 12 -2,-0.8 3,-1.8 1,-0.2 4,-0.3 0.258 59.8 107.8 -91.3 15.6 68.4 25.6 59.6 44 45 A D G > + 0 0 44 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.735 63.3 76.4 -64.8 -20.0 70.8 24.2 57.1 45 46 A Y G < S+ 0 0 164 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.677 79.9 70.9 -64.2 -17.8 73.1 23.2 60.0 46 47 A V G < S+ 0 0 38 -3,-1.8 -1,-0.3 -13,-0.1 2,-0.2 0.782 77.2 97.5 -74.4 -18.3 70.8 20.3 60.8 47 48 A L < - 0 0 14 -3,-1.6 2,-0.3 -4,-0.3 25,-0.0 -0.457 55.4-176.4 -70.8 135.1 72.0 18.5 57.6 48 49 A T - 0 0 102 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.896 11.2-153.4-130.9 162.2 74.8 15.9 58.2 49 50 A Y + 0 0 110 -2,-0.3 2,-0.3 18,-0.1 18,-0.1 -0.999 20.5 154.4-142.5 127.4 76.8 13.7 55.9 50 51 A A - 0 0 41 16,-0.6 2,-0.9 -2,-0.4 18,-0.1 -0.973 52.1 -99.7-147.5 156.3 78.5 10.4 56.4 51 52 A D - 0 0 100 -2,-0.3 2,-0.5 16,-0.0 15,-0.2 -0.745 47.9-173.1 -75.9 103.6 79.6 7.5 54.2 52 53 A R > - 0 0 92 -2,-0.9 3,-2.4 13,-0.5 -2,-0.0 -0.936 30.9-104.7-109.5 119.8 76.7 5.1 55.0 53 54 A G T 3 S+ 0 0 57 -2,-0.5 3,-0.1 1,-0.3 -2,-0.0 -0.185 99.6 2.5 -55.1 132.3 77.0 1.7 53.6 54 55 A F T 3 S+ 0 0 208 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.419 95.9 117.1 72.2 4.0 74.8 1.0 50.5 55 56 A S < - 0 0 6 -3,-2.4 -3,-0.4 10,-0.1 -1,-0.2 -0.880 57.7-159.8 -95.7 101.2 73.5 4.6 50.5 56 57 A G - 0 0 31 -2,-0.9 14,-0.5 26,-0.4 13,-0.4 -0.149 6.3-114.7 -92.8-177.7 74.9 5.6 47.1 57 58 A N - 0 0 62 11,-0.2 11,-0.2 12,-0.1 -1,-0.1 -0.845 21.5-106.2-125.9 137.8 75.6 8.9 45.4 58 59 A P > - 0 0 15 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.340 38.4-117.2 -51.4 144.5 74.5 10.9 42.4 59 60 A Y G > S+ 0 0 236 1,-0.3 3,-2.2 2,-0.2 -2,-0.0 0.908 116.6 62.8 -49.1 -40.4 77.0 10.8 39.6 60 61 A A G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -33,-0.1 3,-0.1 0.650 86.9 70.1 -66.1 -15.6 77.4 14.5 40.2 61 62 A A G X S- 0 0 15 -3,-1.8 3,-2.1 1,-0.2 -1,-0.3 0.559 85.9-166.9 -75.5 -6.6 78.6 14.0 43.7 62 63 A G T < - 0 0 44 -3,-2.2 -1,-0.2 -4,-0.3 -5,-0.1 -0.364 64.6 -12.3 62.7-126.8 81.8 12.6 42.2 63 64 A M T 3 S+ 0 0 180 -2,-0.1 2,-1.2 -3,-0.1 -1,-0.3 0.314 103.2 115.0 -90.9 7.0 84.0 10.8 44.8 64 65 A D X + 0 0 71 -3,-2.1 3,-1.2 1,-0.2 -1,-0.0 -0.646 37.5 177.3 -85.2 96.6 82.0 12.2 47.7 65 66 A R T 3 S+ 0 0 162 -2,-1.2 -13,-0.5 1,-0.3 -1,-0.2 0.549 70.6 74.0 -75.7 -5.8 80.4 9.0 49.2 66 67 A T T 3 S+ 0 0 48 -15,-0.2 2,-0.6 -5,-0.1 -16,-0.6 0.417 78.9 83.2 -88.2 -1.3 78.9 11.0 52.0 67 68 A Y < + 0 0 15 -3,-1.2 2,-0.4 -18,-0.1 -6,-0.1 -0.910 56.0 152.5-110.2 107.6 76.2 12.6 49.8 68 69 A S >> - 0 0 5 -2,-0.6 4,-2.3 -11,-0.2 3,-1.6 -0.986 45.6-152.2-142.0 131.6 73.1 10.4 49.3 69 70 A L T 34 S+ 0 0 0 12,-0.4 14,-0.1 -13,-0.4 13,-0.1 0.537 99.7 71.4 -74.7 -5.2 69.5 10.9 48.5 70 71 A D T 34 S+ 0 0 6 -14,-0.5 -1,-0.3 13,-0.2 14,-0.1 0.589 114.6 24.4 -78.2 -10.1 68.9 7.6 50.4 71 72 A A T <4 S+ 0 0 16 -3,-1.6 -2,-0.2 2,-0.0 -1,-0.1 0.694 101.8 91.1-117.6 -38.1 69.8 9.6 53.6 72 73 A L S < S- 0 0 6 -4,-2.3 2,-0.3 1,-0.1 -23,-0.0 -0.321 76.8-111.6 -75.4 147.8 69.1 13.3 53.0 73 74 A P - 0 0 4 0, 0.0 -41,-1.2 0, 0.0 2,-0.3 -0.564 41.2-169.7 -79.5 137.0 65.7 15.0 53.8 74 75 A Q B -D 31 0A 8 -43,-0.3 -43,-0.3 -2,-0.3 109,-0.1 -0.937 34.5-140.9-134.1 146.7 63.8 16.1 50.7 75 76 A E S S+ 0 0 0 -45,-2.2 106,-0.4 -2,-0.3 -44,-0.1 0.836 103.3 7.0 -68.5 -36.5 60.8 18.1 49.7 76 77 A Y S S- 0 0 11 -46,-0.5 -1,-0.2 26,-0.1 26,-0.2 -0.569 78.8-166.5-152.7 71.4 59.7 15.8 47.0 77 78 A P - 0 0 0 0, 0.0 11,-2.1 0, 0.0 12,-1.0 -0.301 13.1-168.1 -66.9 154.8 61.6 12.5 46.8 78 79 A S B > -e 89 0B 2 10,-0.2 3,-0.8 9,-0.2 2,-0.6 -0.928 31.2 -95.5-144.5 161.5 61.3 10.3 43.7 79 80 A L T 3 S+ 0 0 64 10,-2.6 21,-1.9 -2,-0.3 12,-0.3 -0.726 107.2 46.1 -79.3 117.2 62.0 6.9 42.3 80 81 A G T 3 S+ 0 0 29 -2,-0.6 -1,-0.2 3,-0.3 10,-0.0 0.505 82.8 88.9 123.3 13.2 65.3 7.4 40.3 81 82 A T S < S- 0 0 13 -3,-0.8 -12,-0.4 2,-0.3 -11,-0.1 0.385 105.4 -98.0-111.4 -2.1 67.6 9.3 42.7 82 83 A G S S+ 0 0 30 1,-0.4 2,-0.4 -13,-0.1 -26,-0.4 0.406 82.7 135.8 90.3 -4.5 69.2 6.4 44.5 83 84 A D - 0 0 11 -5,-0.4 -1,-0.4 -14,-0.1 -3,-0.3 -0.692 35.5-172.0 -75.6 127.5 66.7 6.9 47.4 84 85 A Y + 0 0 179 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.392 52.9 97.3-103.4 1.5 65.3 3.5 48.6 85 86 A R S S- 0 0 18 1,-0.2 2,-0.1 176,-0.0 -2,-0.0 -0.141 95.8 -66.2 -74.1 174.7 62.7 4.9 51.0 86 87 A N - 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0 0 28 -2,-0.3 2,-0.3 1,-0.1 -260,-0.2 -0.524 44.0 -98.9 -82.8 156.3 32.7 1.7 45.8 482 483 A M + 0 0 13 -262,-3.0 2,-0.2 -2,-0.2 3,-0.1 -0.553 49.7 160.4 -75.1 133.3 34.2 1.7 42.3 483 484 A A + 0 0 27 -2,-0.3 3,-0.2 -44,-0.1 -37,-0.1 -0.758 47.8 53.3-136.6-175.9 35.1 -1.7 40.8 484 485 A D S S- 0 0 14 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.867 70.0-169.8 54.7 40.4 35.8 -3.0 37.3 485 486 A V - 0 0 27 1,-0.2 -1,-0.2 -3,-0.1 -52,-0.1 -0.478 7.2-170.7 -69.9 116.8 38.3 -0.3 36.8 486 487 A Y + 0 0 98 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.561 57.5 15.2 -96.6 -10.5 39.1 -0.5 33.1 487 488 A A S > S- 0 0 36 -209,-0.1 3,-1.1 1,-0.0 4,-0.4 -0.979 73.4-107.6-160.4 162.7 42.1 1.9 32.6 488 489 A G T 3 S+ 0 0 23 -2,-0.3 -208,-2.0 1,-0.2 4,-0.2 0.480 113.8 51.6 -78.9 -4.3 44.8 3.7 34.6 489 490 A N T 3> S+ 0 0 38 -210,-0.2 4,-2.6 -208,-0.1 -1,-0.2 0.461 88.1 86.3 -97.0 -13.4 43.2 7.2 34.1 490 491 A L H <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.2 5,-0.3 0.904 81.4 52.6 -66.1 -46.5 39.7 6.3 35.3 491 492 A S H > S+ 0 0 8 -213,-0.5 4,-1.3 -4,-0.4 -1,-0.2 0.936 118.2 38.5 -56.3 -44.2 39.9 6.8 39.0 492 493 A Y H > S+ 0 0 8 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.933 117.8 47.2 -73.1 -45.5 41.3 10.3 38.6 493 494 A D H X S+ 0 0 33 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.854 106.6 59.1 -68.6 -32.1 39.1 11.3 35.6 494 495 A Y H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.940 108.1 45.8 -56.7 -48.4 35.9 10.0 37.3 495 496 A V H X S+ 0 0 2 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.890 107.6 55.7 -68.6 -37.8 36.5 12.3 40.2 496 497 A L H X S+ 0 0 50 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.921 109.0 50.4 -54.9 -41.6 37.2 15.3 37.9 497 498 A G H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 108.6 50.7 -63.0 -43.5 33.8 14.5 36.4 498 499 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.945 112.3 46.0 -58.6 -48.6 32.2 14.4 39.8 499 500 A Y H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.852 110.6 54.0 -65.8 -34.9 33.6 17.8 40.7 500 501 A D H X S+ 0 0 70 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.951 111.9 44.0 -62.5 -47.8 32.7 19.2 37.3 501 502 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 114.7 50.0 -59.8 -46.0 29.1 18.2 37.8 502 503 A M H X S+ 0 0 2 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.911 111.3 47.8 -64.1 -41.6 29.1 19.4 41.4 503 504 A E H X S+ 0 0 60 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.913 112.4 49.9 -62.8 -44.2 30.6 22.8 40.4 504 505 A R H X S+ 0 0 77 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.894 112.5 48.2 -59.3 -43.3 28.0 23.1 37.6 505 506 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.940 112.8 45.8 -65.2 -47.4 25.2 22.3 40.1 506 507 A C H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.6 50.2 -67.1 -33.1 26.4 24.8 42.7 507 508 A S H < S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.876 113.8 44.4 -71.0 -39.6 26.9 27.5 40.1 508 509 A R H < S+ 0 0 124 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.825 126.1 32.6 -72.1 -30.4 23.4 27.0 38.7 509 510 A Y S >< S+ 0 0 34 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.3 -0.640 71.3 163.3-126.9 70.1 21.8 26.8 42.1 510 511 A P T 3 S+ 0 0 87 0, 0.0 -188,-0.3 0, 0.0 -1,-0.1 0.627 72.3 54.8 -74.6 -11.7 23.9 29.1 44.3 511 512 A D T 3 S+ 0 0 82 -190,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.450 83.1 115.4 -97.2 0.7 21.4 29.4 47.1 512 513 A L < - 0 0 26 -3,-1.5 2,-0.7 -6,-0.2 -39,-0.2 -0.438 64.1-137.4 -68.4 137.1 21.1 25.6 47.6 513 514 A L E -b 473 0G 1 -41,-2.2 -39,-2.1 -2,-0.1 2,-0.5 -0.917 27.4-160.9 -88.0 111.8 22.3 24.1 50.9 514 515 A L E -b 474 0G 4 -2,-0.7 20,-0.8 17,-0.3 2,-0.6 -0.849 7.7-166.0 -98.7 121.9 24.1 21.0 49.5 515 516 A E E -bc 475 534G 1 -41,-2.8 -39,-2.3 -2,-0.5 20,-0.2 -0.979 14.9-141.7-104.8 121.2 24.7 18.1 52.0 516 517 A G E +bc 476 535G 4 18,-2.2 20,-2.8 -2,-0.6 2,-0.3 -0.439 25.9 172.4 -76.4 152.5 27.2 15.6 50.8 517 518 A C + 0 0 6 -41,-1.7 4,-0.2 18,-0.2 2,-0.1 -0.978 25.2 173.4-156.3 150.0 26.6 11.9 51.5 518 519 A S B > S-j 521 0L 6 2,-2.3 4,-1.5 -2,-0.3 -39,-0.2 -0.556 90.3 -46.7-156.9 84.5 28.1 8.5 50.7 519 520 A G T 4 S- 0 0 3 2,-0.1 20,-0.5 -2,-0.1 -320,-0.5 0.954 119.6 -50.6 46.9 54.9 26.3 5.9 52.8 520 521 A G B 4 S-K 538 0M 0 18,-0.3 -2,-2.3 1,-0.1 2,-0.5 -0.774 129.2 -0.9 83.3-130.7 27.0 8.3 55.6 521 522 A G B >4 S+j 518 0L 0 16,-0.6 3,-0.9 -2,-0.5 -1,-0.1 -0.203 85.1 124.3 -92.6 39.8 30.6 9.5 55.8 522 523 A G T 3< S+ 0 0 1 -4,-1.5 -298,-2.2 -2,-0.5 -1,-0.2 0.560 88.5 28.8 -77.0 -11.3 32.1 7.6 52.9 523 524 A R T 3 S+ 0 0 8 -3,-0.4 2,-1.4 -300,-0.2 -1,-0.3 -0.413 77.3 150.4-139.6 56.5 33.4 10.8 51.3 524 525 A F < + 0 0 0 -3,-0.9 2,-0.3 -300,-0.3 -3,-0.1 -0.714 34.3 123.9 -91.6 86.7 33.8 12.9 54.4 525 526 A D S >> S- 0 0 0 -2,-1.4 4,-1.7 -297,-0.1 3,-0.5 -0.943 75.6-107.8-148.6 161.1 36.7 15.0 53.1 526 527 A A H 3> S+ 0 0 0 -276,-0.6 4,-1.0 -2,-0.3 -275,-0.2 0.733 113.3 66.3 -70.0 -22.7 37.7 18.6 52.5 527 528 A G H 34 S+ 0 0 0 -277,-0.4 3,-0.4 -275,-0.2 4,-0.3 0.929 107.2 40.8 -59.2 -45.1 37.3 18.1 48.8 528 529 A M H X> S+ 0 0 5 -3,-0.5 4,-2.8 1,-0.2 3,-1.7 0.861 107.4 62.3 -69.7 -36.7 33.6 17.7 49.3 529 530 A L H 3< S+ 0 0 1 -4,-1.7 -209,-0.4 1,-0.3 -1,-0.2 0.717 89.2 69.8 -66.0 -20.3 33.4 20.4 51.9 530 531 A Y T 3< S+ 0 0 39 -4,-1.0 -210,-0.9 -3,-0.4 -1,-0.3 0.811 117.0 23.9 -59.7 -30.3 34.5 22.9 49.2 531 532 A Y T <4 S+ 0 0 14 -3,-1.7 -17,-0.3 -4,-0.3 -2,-0.2 0.787 127.9 42.4-102.6 -43.3 31.0 22.3 47.7 532 533 A S < - 0 0 1 -4,-2.8 -1,-0.3 1,-0.1 -17,-0.1 -0.959 62.2-155.2-115.5 122.0 28.9 21.1 50.6 533 534 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -18,-0.1 0.550 84.0 33.0 -77.0 -7.8 29.1 22.8 54.0 534 535 A Q E -c 515 0G 3 -20,-0.8 -18,-2.2 -6,-0.1 2,-0.4 -0.983 65.3-163.3-142.8 154.3 27.9 19.7 55.7 535 536 A I E -cd 516 562G 1 26,-2.7 28,-3.0 -2,-0.3 2,-0.4 -0.994 38.4-102.6-135.4 136.0 28.2 16.0 55.1 536 537 A W E - d 0 563G 2 -20,-2.8 -18,-0.3 -2,-0.4 3,-0.1 -0.480 36.5-152.2 -61.8 115.0 26.1 13.2 56.6 537 538 A C - 0 0 0 26,-1.4 -16,-0.6 -2,-0.4 2,-0.3 0.874 60.4 -22.0 -71.9 -35.8 28.5 12.0 59.1 538 539 A S B -K 520 0M 0 25,-0.3 -18,-0.3 -18,-0.3 -1,-0.2 -0.947 44.1-126.4-165.6 150.0 27.3 8.4 59.4 539 540 A D S S+ 0 0 34 -20,-0.5 2,-0.8 -2,-0.3 -19,-0.1 0.663 92.7 94.8 -71.2 -17.1 24.4 6.2 58.7 540 541 A N + 0 0 6 1,-0.1 -339,-0.1 33,-0.1 -2,-0.1 -0.703 48.0 170.7 -74.9 111.6 24.9 5.2 62.4 541 542 A T + 0 0 6 -2,-0.8 2,-0.4 27,-0.1 26,-0.4 0.098 31.5 128.4-109.0 17.7 22.5 7.5 64.3 542 543 A D > - 0 0 2 1,-0.2 4,-2.8 24,-0.1 5,-0.2 -0.637 59.0-140.2 -71.3 125.4 23.0 5.6 67.6 543 544 A A H > S+ 0 0 3 -2,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.869 97.5 50.4 -61.3 -38.7 23.9 8.4 70.1 544 545 A I H >> S+ 0 0 16 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.953 114.2 42.3 -69.6 -47.6 26.5 6.3 71.9 545 546 A N H >> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.889 108.3 62.1 -64.0 -35.2 28.3 5.3 68.7 546 547 A R H 3X S+ 0 0 7 -4,-2.8 4,-2.9 1,-0.2 5,-0.4 0.820 92.9 64.4 -60.8 -29.4 28.0 8.8 67.4 547 548 A T H < S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 4,-0.3 0.918 111.3 53.5 -62.3 -42.0 37.1 11.1 65.5 553 554 A T H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-0.9 0.786 99.4 66.1 -63.0 -28.8 35.7 13.4 62.8 554 555 A S T 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.592 77.6 81.2 -71.5 -13.4 36.6 16.4 65.0 555 556 A F T <4 S+ 0 0 2 -3,-1.6 -1,-0.2 -4,-0.4 -245,-0.2 0.876 121.1 0.5 -63.5 -34.0 40.4 15.8 64.7 556 557 A F T <4 S+ 0 0 3 -3,-0.9 -2,-0.2 -4,-0.3 -242,-0.2 0.620 122.4 70.3-117.7 -27.6 40.3 17.6 61.3 557 558 A Y S < S- 0 0 2 -4,-2.3 -246,-0.2 -243,-0.1 -1,-0.1 -0.779 75.8-116.1-111.7 141.9 36.8 18.6 60.5 558 559 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.348 23.8-119.3 -71.5 150.7 34.6 21.3 62.1 559 560 A V G > S+ 0 0 11 1,-0.3 3,-2.2 64,-0.2 65,-0.1 0.865 111.8 66.5 -49.2 -42.9 31.4 20.5 64.0 560 561 A S G 3 S+ 0 0 2 64,-0.4 -1,-0.3 1,-0.3 64,-0.1 0.712 96.9 54.9 -56.9 -23.1 29.5 22.6 61.5 561 562 A A G < S+ 0 0 0 -3,-1.8 -26,-2.7 -27,-0.1 2,-1.0 0.547 85.2 97.2 -83.6 -10.1 30.3 20.1 58.8 562 563 A M E < -d 535 0G 3 -3,-2.2 29,-2.3 -4,-0.3 30,-0.4 -0.689 65.7-146.1 -97.6 104.7 28.9 17.0 60.7 563 564 A G E +d 536 0G 0 -28,-3.0 -26,-1.4 -2,-1.0 -25,-0.3 -0.507 29.8 169.4 -60.6 129.1 25.4 16.0 59.7 564 565 A A - 0 0 1 28,-0.4 2,-0.4 -2,-0.2 28,-0.3 -0.978 10.4-175.2-152.6 124.9 23.7 14.7 62.8 565 566 A H - 0 0 8 -2,-0.3 2,-0.5 26,-0.1 29,-0.3 -0.969 30.5-118.1-126.6 143.6 20.0 13.8 63.4 566 567 A V E -e 594 0G 1 27,-2.9 29,-2.5 -2,-0.4 2,-0.2 -0.676 45.1-176.9 -70.5 122.3 17.9 12.7 66.3 567 568 A S E -e 595 0G 1 -2,-0.5 29,-0.2 -26,-0.4 -24,-0.1 -0.669 24.8 -85.7-119.0 173.8 16.5 9.3 65.3 568 569 A A - 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