==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-98 2AXE . COMPND 2 MOLECULE: ACETYL XYLAN ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM PURPUROGENUM; . AUTHOR D.GHOSH,M.ERMAN,M.W.SAWICKI,P.LALA,D.R.WEEKS,N.LI, . 207 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 0 0 1 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 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 176 0, 0.0 78,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.2 26.1 7.8 35.8 2 2 A a - 0 0 54 76,-0.0 2,-0.0 4,-0.0 4,-0.0 -0.910 360.0-131.8-105.8 137.4 22.7 7.2 34.3 3 3 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 33,-0.1 -0.299 17.2-123.5 -75.0 164.1 20.4 10.0 33.3 4 4 A A S S+ 0 0 76 1,-0.2 79,-2.8 78,-0.1 2,-0.4 0.850 99.8 26.9 -74.5 -30.8 16.7 10.0 34.4 5 5 A I E -a 83 0A 16 77,-0.2 32,-1.6 30,-0.1 2,-0.4 -0.996 67.6-177.8-132.9 134.7 15.7 10.2 30.7 6 6 A H E -ab 84 37A 7 77,-2.5 79,-2.0 -2,-0.4 2,-0.4 -0.992 10.9-155.3-130.8 140.4 17.5 8.9 27.6 7 7 A V E -ab 85 38A 1 30,-2.4 32,-2.2 -2,-0.4 2,-0.4 -0.925 4.5-157.0-123.7 148.9 16.3 9.3 24.0 8 8 A F E -ab 86 39A 0 77,-2.4 79,-2.8 -2,-0.4 2,-0.4 -0.982 12.0-167.8-119.0 127.6 17.0 7.2 20.9 9 9 A G E -ab 87 40A 0 30,-1.8 32,-3.0 -2,-0.4 2,-0.4 -0.946 5.3-162.9-121.0 138.0 16.6 8.8 17.4 10 10 A A E -a 88 0A 0 77,-2.4 79,-2.0 -2,-0.4 82,-0.2 -0.986 15.8-140.6-125.6 130.6 16.6 7.0 14.1 11 11 A R - 0 0 16 7,-0.5 9,-0.2 -2,-0.4 81,-0.1 -0.288 17.5-103.5 -89.7 166.8 17.1 8.9 10.8 12 12 A E > - 0 0 29 1,-0.2 3,-1.5 79,-0.2 -1,-0.1 -0.272 55.5 -61.0 -85.0 173.4 15.6 8.6 7.4 13 13 A T T 3 S+ 0 0 31 1,-0.3 33,-0.2 33,-0.1 -1,-0.2 -0.346 118.6 2.2 -64.3 132.2 17.0 7.0 4.2 14 14 A T T 3 S+ 0 0 71 31,-2.9 -1,-0.3 1,-0.3 32,-0.1 0.221 92.7 138.7 72.4 -3.3 20.2 8.6 2.9 15 15 A A < - 0 0 21 -3,-1.5 -1,-0.3 30,-0.2 3,-0.1 -0.369 62.2-101.3 -62.6 148.8 20.4 11.1 5.8 16 16 A S - 0 0 99 1,-0.2 4,-0.3 -3,-0.1 -1,-0.1 -0.320 57.0 -70.0 -67.6 153.1 23.9 11.5 7.1 17 17 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.106 103.3 50.4 -48.3 138.8 24.8 9.7 10.4 18 18 A G S S- 0 0 23 23,-0.3 -7,-0.5 -3,-0.1 23,-0.1 -0.958 112.9 -39.0 126.1-148.3 23.0 11.1 13.4 19 19 A Y > - 0 0 67 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 0.567 64.1-173.4 -92.5 -18.9 19.3 11.8 14.0 20 20 A G G > S- 0 0 30 -4,-0.3 3,-1.6 1,-0.3 -1,-0.2 -0.247 73.0 -11.4 51.1-135.9 18.3 13.2 10.6 21 21 A S G > S+ 0 0 32 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.497 124.7 77.3 -74.7 -2.8 14.8 14.5 10.7 22 22 A S G <> S+ 0 0 1 -3,-2.4 4,-2.2 1,-0.2 3,-0.4 0.623 72.2 90.7 -77.4 -5.8 14.1 12.9 14.0 23 23 A S H <> S+ 0 0 41 -3,-1.6 4,-3.2 1,-0.2 5,-0.4 0.840 71.3 67.6 -55.3 -34.7 16.1 15.8 15.4 24 24 A T H <> S+ 0 0 71 -3,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.961 112.3 27.6 -59.7 -50.2 13.1 18.1 15.9 25 25 A V H > S+ 0 0 3 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.843 118.2 59.9 -86.4 -19.3 11.4 16.1 18.7 26 26 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.974 111.0 41.4 -62.8 -46.9 14.7 14.7 19.9 27 27 A N H X S+ 0 0 89 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.793 108.9 61.5 -67.3 -29.8 15.9 18.2 20.6 28 28 A G H X S+ 0 0 13 -4,-1.2 4,-1.0 -5,-0.4 -1,-0.2 0.928 107.5 43.0 -62.3 -44.0 12.5 19.1 22.0 29 29 A V H X S+ 0 0 1 -4,-2.0 4,-1.7 -3,-0.2 3,-0.4 0.925 111.6 53.5 -66.9 -48.4 12.8 16.5 24.7 30 30 A L H < S+ 0 0 48 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.867 113.1 43.0 -55.0 -39.6 16.4 17.3 25.6 31 31 A S H < S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.714 112.7 53.2 -84.4 -18.0 15.7 21.0 26.0 32 32 A A H < S+ 0 0 32 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.701 118.4 37.3 -82.7 -23.2 12.5 20.3 27.9 33 33 A X S >< S- 0 0 43 -4,-1.7 3,-2.4 -5,-0.1 -1,-0.3 -0.708 82.0-154.9-132.9 76.1 14.5 18.0 30.3 34 34 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.225 83.6 33.5 -52.6 141.5 17.9 19.4 31.1 35 35 A G T 3 S+ 0 0 66 1,-0.4 -30,-0.1 -5,-0.1 -31,-0.1 0.062 90.5 120.7 89.5 -19.4 20.3 16.6 32.1 36 36 A S < - 0 0 16 -3,-2.4 -1,-0.4 -6,-0.3 2,-0.3 -0.375 49.6-153.8 -69.6 156.9 18.6 14.2 29.7 37 37 A T E -b 6 0A 64 -32,-1.6 -30,-2.4 -3,-0.1 2,-0.3 -0.898 7.4-156.9-132.8 162.2 20.8 12.7 27.1 38 38 A A E -b 7 0A 25 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.939 4.8-165.7-138.8 158.6 20.3 11.2 23.6 39 39 A E E -b 8 0A 63 -32,-2.2 -30,-1.8 -2,-0.3 2,-0.3 -0.986 21.7-124.6-143.3 146.7 22.0 8.8 21.1 40 40 A A E -b 9 0A 19 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.683 30.5-112.9 -87.2 139.9 21.5 8.2 17.4 41 41 A I - 0 0 2 -32,-3.0 2,-0.8 -2,-0.3 -30,-0.3 -0.584 26.6-136.9 -69.8 130.2 20.7 4.7 16.2 42 42 A N + 0 0 137 -2,-0.3 29,-0.1 25,-0.1 -1,-0.1 -0.798 51.9 121.4 -91.5 109.5 23.6 3.3 14.1 43 43 A Y S S- 0 0 17 -2,-0.8 -32,-0.1 1,-0.1 17,-0.1 -0.964 73.3 -93.2-160.9 164.4 22.2 1.6 11.0 44 44 A P - 0 0 24 0, 0.0 -30,-0.2 0, 0.0 3,-0.1 0.802 35.1-164.4 -55.5 -38.3 22.6 1.9 7.2 45 45 A A + 0 0 0 15,-0.2 -31,-2.9 1,-0.2 2,-0.3 0.947 47.0 137.3 47.1 53.3 19.5 4.2 6.7 46 46 A b - 0 0 0 -33,-0.2 -1,-0.2 10,-0.2 14,-0.2 -0.864 55.1-167.4-132.8 163.5 19.9 3.2 3.0 47 47 A G S S- 0 0 31 -2,-0.3 9,-0.3 -3,-0.1 10,-0.2 -0.155 79.4 -66.3-140.5 37.2 17.9 2.1 -0.0 48 48 A G S S+ 0 0 41 7,-2.7 8,-0.2 1,-0.3 2,-0.1 0.199 90.8 137.1 97.0 -9.0 20.7 0.9 -2.3 49 49 A Q > > - 0 0 79 6,-0.3 5,-2.5 1,-0.1 3,-0.7 -0.375 56.7-134.3 -67.6 145.8 22.5 4.2 -2.9 50 50 A S G > 5S+ 0 0 116 1,-0.2 3,-1.9 3,-0.2 -1,-0.1 0.840 99.5 71.3 -71.9 -24.5 26.3 4.0 -2.7 51 51 A S G 3 5S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.851 104.4 40.0 -58.4 -32.9 26.4 7.2 -0.5 52 52 A b G < 5S- 0 0 25 -3,-0.7 3,-0.4 3,-0.1 -1,-0.3 0.119 135.8 -79.9-107.9 25.3 25.0 5.2 2.4 53 53 A G T < 5 - 0 0 69 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.453 61.3 -94.7 100.4 -1.0 26.9 2.0 1.8 54 54 A G S - 0 0 60 -9,-0.3 4,-3.2 -8,-0.2 5,-0.2 -0.272 26.3-106.6 -63.2 160.0 19.2 -2.4 -0.1 57 57 A Y H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.940 122.1 51.3 -51.6 -48.0 16.2 -1.1 1.7 58 58 A S H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.935 113.0 43.3 -59.7 -46.0 15.5 -4.7 2.9 59 59 A S H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 113.2 52.8 -68.4 -36.8 19.0 -5.2 4.2 60 60 A S H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -15,-0.2 0.928 110.2 47.9 -62.3 -45.6 19.0 -1.7 5.8 61 61 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.942 110.4 51.0 -61.8 -45.5 15.7 -2.4 7.6 62 62 A A H X S+ 0 0 38 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.919 114.1 44.3 -56.9 -47.5 16.9 -5.8 8.9 63 63 A Q H X S+ 0 0 103 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.833 111.7 54.3 -67.0 -36.0 20.1 -4.3 10.3 64 64 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.911 104.7 52.5 -66.6 -41.4 18.2 -1.4 11.8 65 65 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.929 112.9 45.1 -61.9 -41.9 15.8 -3.5 13.7 66 66 A A H X S+ 0 0 48 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.894 111.9 53.0 -65.2 -39.9 18.7 -5.4 15.2 67 67 A A H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.914 109.5 47.8 -61.9 -44.5 20.5 -2.2 15.9 68 68 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.942 113.7 48.4 -61.0 -45.2 17.5 -0.7 17.7 69 69 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.915 113.7 45.6 -62.4 -45.1 17.1 -3.8 19.8 70 70 A S H X S+ 0 0 79 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.935 115.3 45.1 -67.7 -46.1 20.8 -4.0 20.7 71 71 A A H X S+ 0 0 23 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.882 118.8 41.3 -69.0 -38.8 21.2 -0.4 21.7 72 72 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.911 116.3 48.5 -75.5 -43.3 18.0 -0.1 23.7 73 73 A N H X S+ 0 0 39 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.913 114.7 45.4 -64.0 -42.3 18.3 -3.5 25.4 74 74 A S H X S+ 0 0 70 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.947 112.7 50.1 -68.7 -42.5 22.0 -2.8 26.4 75 75 A F H X S+ 0 0 28 -4,-1.8 4,-2.7 -5,-0.3 3,-0.3 0.951 109.7 51.9 -59.9 -47.3 21.2 0.7 27.6 76 76 A N H < S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 107.5 51.7 -57.9 -40.1 18.3 -0.6 29.7 77 77 A S H < S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.1 43.2 -64.8 -32.1 20.5 -3.3 31.4 78 78 A Q H < S+ 0 0 159 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.892 130.0 25.0 -76.0 -39.6 23.0 -0.6 32.2 79 79 A a S >< S+ 0 0 7 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 -0.632 70.5 169.0-129.2 67.6 20.4 2.0 33.4 80 80 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.639 76.7 47.5 -64.1 -17.4 17.4 -0.0 34.5 81 81 A S T 3 S+ 0 0 103 2,-0.1 2,-0.4 -5,-0.0 -5,-0.1 0.372 86.0 112.5-107.3 9.0 15.5 2.9 36.1 82 82 A T < - 0 0 1 -3,-1.9 2,-0.3 -6,-0.2 -77,-0.2 -0.655 67.6-127.1 -82.4 132.9 16.0 5.3 33.2 83 83 A K E -a 5 0A 78 -79,-2.8 -77,-2.5 -2,-0.4 2,-0.4 -0.609 27.3-146.3 -80.0 136.4 12.9 6.3 31.3 84 84 A I E -ac 6 125A 0 40,-3.1 42,-2.5 -2,-0.3 43,-1.1 -0.847 16.1-171.0-113.0 139.5 13.3 5.8 27.5 85 85 A V E -ac 7 127A 0 -79,-2.0 -77,-2.4 -2,-0.4 2,-0.4 -0.991 9.3-157.6-123.0 133.7 11.9 7.7 24.6 86 86 A L E -ac 8 128A 0 41,-2.2 43,-2.5 -2,-0.4 2,-0.4 -0.919 9.2-177.3-109.0 139.0 12.1 6.5 21.0 87 87 A V E +ac 9 129A 2 -79,-2.8 -77,-2.4 -2,-0.4 2,-0.4 -0.986 6.3 172.6-135.1 126.0 11.9 8.8 17.9 88 88 A G E -ac 10 130A 1 41,-2.7 43,-2.3 -2,-0.4 2,-0.5 -0.990 16.6-156.7-140.3 132.7 12.0 7.5 14.4 89 89 A Y E > - c 0 131A 3 -79,-2.0 3,-2.4 -2,-0.4 43,-0.2 -0.924 61.4 -47.8-109.2 123.4 11.5 9.3 11.0 90 90 A S T >> S+ 0 0 11 41,-3.7 4,-2.1 -2,-0.5 3,-0.8 -0.313 137.9 10.7 57.0-119.2 10.4 7.3 8.0 91 91 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.865 131.9 58.1 -55.8 -33.5 12.6 4.2 7.6 92 92 A G H <> S+ 0 0 0 -3,-2.4 4,-1.1 1,-0.2 -1,-0.3 0.829 105.4 49.5 -63.9 -33.4 13.8 5.1 11.1 93 93 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 38,-0.3 -2,-0.2 0.905 107.9 53.8 -67.7 -42.5 10.2 4.8 12.2 94 94 A E H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.884 106.1 50.9 -64.9 -38.4 9.7 1.5 10.5 95 95 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.865 113.6 44.7 -70.5 -30.1 12.7 -0.2 12.3 96 96 A M H X S+ 0 0 0 -4,-1.1 4,-3.0 2,-0.2 5,-0.4 0.859 108.5 58.7 -76.7 -37.7 11.5 1.0 15.7 97 97 A D H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.954 111.0 40.9 -52.9 -53.8 7.9 -0.1 14.9 98 98 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 18,-0.4 0.944 115.1 51.6 -64.6 -43.5 9.0 -3.6 14.3 99 99 A A H < S+ 0 0 0 -4,-1.7 17,-1.9 -5,-0.2 18,-1.5 0.900 121.7 31.1 -60.6 -42.0 11.4 -3.7 17.2 100 100 A L H < S+ 0 0 1 -4,-3.0 63,-0.2 15,-0.2 -1,-0.2 0.846 130.2 32.9 -87.9 -35.9 8.8 -2.4 19.7 101 101 A c H < S- 0 0 6 -4,-2.9 -3,-0.2 -5,-0.4 -2,-0.2 0.598 89.4-154.2-100.7 -13.4 5.6 -3.9 18.2 102 102 A G < + 0 0 0 -4,-2.3 -1,-0.2 -5,-0.4 12,-0.2 -0.394 50.6 124.3 74.1-156.0 6.8 -7.2 16.8 103 103 A G S S- 0 0 30 10,-2.8 10,-0.2 -4,-0.1 11,-0.1 0.336 71.4-117.6 84.1 -4.3 4.9 -8.7 13.9 104 104 A G - 0 0 1 8,-0.3 7,-0.2 -6,-0.2 9,-0.1 -0.048 20.9 -97.3 63.1-171.0 7.9 -8.8 11.5 105 105 A D B > > -F 110 0B 1 5,-2.1 5,-1.9 1,-0.1 3,-1.8 -0.696 39.6-179.7-143.6 74.3 8.2 -6.9 8.2 106 106 A P G > 5S+ 0 0 107 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.800 77.1 58.5 -59.3 -32.4 7.2 -9.5 5.6 107 107 A N G 3 5S+ 0 0 112 1,-0.3 -49,-0.1 2,-0.1 46,-0.0 0.791 110.4 43.6 -69.8 -22.6 7.7 -7.2 2.7 108 108 A Q G < 5S- 0 0 31 -3,-1.8 -1,-0.3 2,-0.2 -46,-0.2 0.386 119.2-106.9-101.9 5.5 11.3 -6.7 3.6 109 109 A G T < 5S+ 0 0 55 -3,-1.0 2,-0.9 -4,-0.5 -2,-0.1 0.605 71.0 142.2 83.3 11.8 12.0 -10.3 4.4 110 110 A Y B < +F 105 0B 37 -5,-1.9 -5,-2.1 1,-0.2 -1,-0.2 -0.787 23.2 177.3 -91.3 110.4 12.2 -9.9 8.2 111 111 A T + 0 0 128 -2,-0.9 2,-0.3 -7,-0.2 -1,-0.2 0.730 43.8 97.7 -93.2 -28.8 10.5 -13.2 9.3 112 112 A N - 0 0 75 1,-0.1 -8,-0.3 -7,-0.1 4,-0.1 -0.452 48.0-171.9 -64.6 122.4 10.7 -13.0 13.0 113 113 A T + 0 0 96 -2,-0.3 -10,-2.8 -10,-0.2 -1,-0.1 0.442 46.6 113.5 -98.3 2.4 7.5 -11.8 14.4 114 114 A A S S- 0 0 47 -12,-0.2 -10,-0.2 -11,-0.1 -12,-0.2 -0.437 79.1-103.5 -74.1 148.8 8.6 -11.5 18.1 115 115 A V - 0 0 52 -14,-0.2 -15,-0.2 1,-0.1 -16,-0.2 -0.494 33.0-155.6 -57.7 135.7 9.0 -8.2 19.9 116 116 A Q + 0 0 45 -17,-1.9 -16,-0.2 -18,-0.4 2,-0.1 0.725 65.5 85.9 -97.6 -23.9 12.7 -7.6 19.8 117 117 A L S S- 0 0 9 -18,-1.5 -48,-0.1 1,-0.1 -47,-0.1 -0.503 88.3-107.6 -69.0 146.5 13.1 -5.3 22.8 118 118 A S > - 0 0 38 -49,-0.2 4,-2.9 -2,-0.1 5,-0.2 -0.281 27.0-109.0 -69.0 161.3 13.4 -7.1 26.1 119 119 A S H > S+ 0 0 112 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.857 121.5 50.8 -59.0 -36.2 10.5 -7.1 28.6 120 120 A S H > S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 111.2 48.0 -67.6 -41.9 12.5 -4.8 30.9 121 121 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.924 108.6 52.7 -67.7 -43.5 13.2 -2.4 28.1 122 122 A V H < S+ 0 0 28 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.912 106.6 55.3 -56.9 -39.9 9.6 -2.4 26.9 123 123 A N H < S+ 0 0 103 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.877 111.1 43.1 -59.7 -38.5 8.5 -1.5 30.5 124 124 A M H < S+ 0 0 24 -4,-1.4 -40,-3.1 -3,-0.3 2,-0.7 0.593 86.9 98.9 -92.5 -9.9 10.8 1.6 30.6 125 125 A V E < +c 84 0A 0 -4,-1.6 -40,-0.2 -3,-0.2 3,-0.1 -0.710 48.6 173.4 -68.8 116.3 10.0 2.8 27.1 126 126 A K E + 0 0 44 -42,-2.5 2,-0.3 -2,-0.7 -41,-0.2 0.651 59.6 13.3-102.5 -23.4 7.4 5.5 28.1 127 127 A A E -c 85 0A 0 -43,-1.1 -41,-2.2 2,-0.0 2,-0.4 -0.947 55.6-167.4-157.9 137.2 6.8 7.1 24.7 128 128 A A E -cd 86 167A 0 38,-2.7 40,-2.5 -2,-0.3 2,-0.5 -0.999 7.6-164.0-128.7 129.6 7.5 6.3 21.0 129 129 A I E -cd 87 168A 0 -43,-2.5 -41,-2.7 -2,-0.4 2,-0.4 -0.971 7.4-177.5-118.0 117.7 7.2 8.8 18.2 130 130 A F E -cd 88 169A 0 38,-2.4 40,-2.6 -2,-0.5 2,-0.4 -0.970 2.3-172.4-114.2 132.8 7.0 7.7 14.6 131 131 A M E S-cd 89 170A 3 -43,-2.3 -41,-3.7 -2,-0.4 -38,-0.3 -0.990 71.3 -4.0-125.2 126.3 6.8 10.1 11.7 132 132 A G S S+ 0 0 0 38,-2.5 39,-0.1 -2,-0.4 -1,-0.1 0.746 80.5 178.4 71.8 23.2 6.2 9.0 8.1 133 133 A D > - 0 0 0 37,-0.4 3,-2.5 1,-0.1 18,-0.2 -0.461 27.6-147.8 -65.9 111.0 6.4 5.3 9.0 134 134 A P T 3 S+ 0 0 0 0, 0.0 19,-1.8 0, 0.0 17,-0.2 0.611 96.1 67.8 -59.0 -10.3 5.8 3.2 5.8 135 135 A M T 3 S+ 0 0 4 19,-0.2 20,-2.0 17,-0.1 43,-0.1 0.349 75.0 133.0 -85.9 5.0 4.2 0.5 8.1 136 136 A F < + 0 0 4 -3,-2.5 15,-2.2 18,-0.2 2,-0.3 -0.300 29.1 174.7 -60.1 136.4 1.3 3.0 8.7 137 137 A R B > -G 150 0C 74 13,-0.2 3,-0.7 17,-0.2 13,-0.2 -0.899 31.7-120.3-143.2 115.0 -2.1 1.6 8.3 138 138 A A T 3 S+ 0 0 33 11,-2.6 10,-0.1 -2,-0.3 3,-0.1 -0.116 92.0 51.5 -52.5 142.7 -5.2 3.7 9.1 139 139 A G T 3 S+ 0 0 81 1,-0.4 2,-0.3 4,-0.1 -1,-0.2 0.434 73.3 124.0 110.3 -0.6 -7.4 2.3 11.9 140 140 A L X - 0 0 27 -3,-0.7 3,-1.7 1,-0.1 -1,-0.4 -0.724 64.9-128.0 -92.8 144.3 -4.8 1.7 14.6 141 141 A S T 3 S+ 0 0 100 -2,-0.3 -1,-0.1 1,-0.3 19,-0.0 0.761 104.2 55.0 -64.9 -22.6 -5.4 3.4 18.0 142 142 A Y T 3 S+ 0 0 6 26,-0.1 27,-2.4 2,-0.0 2,-0.3 0.342 89.0 99.6 -94.6 11.2 -1.9 4.9 18.1 143 143 A E E < -e 169 0A 31 -3,-1.7 2,-0.3 25,-0.2 27,-0.2 -0.719 43.8-178.6-105.1 148.4 -2.1 6.8 14.8 144 144 A V E +e 170 0A 34 25,-3.0 27,-1.8 -2,-0.3 2,-0.2 -0.983 35.5 67.5-137.1 152.4 -2.8 10.4 14.0 145 145 A G S S- 0 0 33 -2,-0.3 27,-0.2 25,-0.2 -2,-0.0 -0.614 84.1 -74.8 128.0 173.4 -3.0 12.3 10.8 146 146 A T S S+ 0 0 98 -2,-0.2 2,-0.3 2,-0.0 26,-0.3 0.556 82.5 118.0 -88.8 -2.5 -5.2 12.5 7.7 147 147 A d + 0 0 7 24,-2.0 24,-0.1 1,-0.2 -10,-0.0 -0.447 33.7 177.2 -62.7 121.1 -4.0 9.3 5.9 148 148 A A + 0 0 93 -2,-0.3 -1,-0.2 -10,-0.1 31,-0.1 0.226 70.0 41.8-110.0 15.7 -7.0 7.0 5.6 149 149 A A S S- 0 0 34 29,-0.1 -11,-2.6 -12,-0.0 2,-0.3 0.224 89.4-110.3-123.9-113.2 -5.2 4.2 3.7 150 150 A G B -G 137 0C 7 -13,-0.2 -13,-0.2 23,-0.1 29,-0.1 -0.954 21.8 -89.4 179.4 170.4 -1.6 2.9 4.5 151 151 A G > - 0 0 9 -15,-2.2 3,-1.8 27,-0.3 27,-0.2 -0.091 47.9 -87.3 -91.6-177.0 2.0 2.7 3.3 152 152 A F T 3 S+ 0 0 88 25,-1.5 -17,-0.1 1,-0.3 26,-0.1 0.748 130.5 33.7 -71.3 -19.6 4.1 0.4 1.1 153 153 A D T 3 S+ 0 0 5 -19,-1.8 -1,-0.3 24,-0.3 -46,-0.1 -0.103 91.6 169.3-117.9 33.7 4.9 -1.9 4.1 154 154 A Q < - 0 0 84 -3,-1.8 -18,-0.2 1,-0.1 -17,-0.2 -0.010 38.4-108.8 -52.7 141.1 1.5 -1.3 5.9 155 155 A R - 0 0 6 -20,-2.0 -1,-0.1 1,-0.1 3,-0.1 -0.284 43.0 -99.5 -59.6 156.2 0.5 -3.5 8.8 156 156 A P > - 0 0 78 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.369 46.7 -82.1 -73.5 161.2 -2.2 -6.0 8.1 157 157 A A T 3 S+ 0 0 78 1,-0.2 -18,-0.1 -3,-0.1 0, 0.0 -0.428 116.7 24.3 -61.1 136.8 -5.8 -5.4 9.1 158 158 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.523 84.0 155.4 82.8 9.2 -6.5 -6.2 12.7 159 159 A F < - 0 0 33 -3,-1.4 2,-0.4 -4,-0.0 -1,-0.3 -0.459 22.2-167.0 -66.3 144.6 -2.9 -5.7 13.8 160 160 A S - 0 0 96 -59,-0.1 3,-0.1 -2,-0.1 -20,-0.0 -1.000 11.8-149.0-134.0 134.6 -2.4 -4.9 17.4 161 161 A c > - 0 0 3 -2,-0.4 3,-2.2 1,-0.1 4,-0.2 -0.897 12.2-143.7 -97.8 124.2 0.7 -3.6 19.2 162 162 A P T 3 S+ 0 0 105 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.841 104.9 46.8 -54.3 -33.1 1.2 -4.6 22.8 163 163 A S T > S+ 0 0 12 -63,-0.2 3,-2.3 1,-0.2 4,-0.3 0.089 73.5 129.8 -99.0 26.4 2.7 -1.2 23.5 164 164 A A G X + 0 0 20 -3,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.828 66.3 59.2 -40.1 -46.4 -0.0 0.8 21.6 165 165 A A G 3 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.647 101.4 55.4 -72.1 -8.4 -0.6 3.2 24.5 166 166 A K G < S+ 0 0 41 -3,-2.3 -38,-2.7 -39,-0.1 2,-0.4 0.401 98.7 83.3 -97.2 -0.0 3.0 4.4 24.4 167 167 A I E < -d 128 0A 2 -3,-1.8 2,-0.4 -4,-0.3 -38,-0.2 -0.833 45.3-176.9-117.1 144.8 3.0 5.4 20.8 168 168 A K E -d 129 0A 65 -40,-2.5 -38,-2.4 -2,-0.4 2,-0.5 -0.992 14.2-174.8-125.0 127.3 2.0 8.2 18.5 169 169 A S E -de 130 143A 2 -27,-2.4 -25,-3.0 -2,-0.4 2,-0.4 -0.983 9.7-155.0-125.4 124.5 2.5 7.6 14.8 170 170 A Y E +de 131 144A 2 -40,-2.6 -38,-2.5 -2,-0.5 -37,-0.4 -0.867 23.7 148.7-111.2 132.6 1.9 10.4 12.3 171 171 A e - 0 0 0 -27,-1.8 -24,-2.0 -2,-0.4 2,-0.2 -0.923 24.8-150.4-160.3 131.5 1.0 10.2 8.6 172 172 A D > - 0 0 13 -2,-0.3 3,-1.6 -26,-0.3 9,-0.2 -0.695 28.8-111.7-106.0 160.0 -1.1 12.4 6.1 173 173 A A T 3 S+ 0 0 44 1,-0.3 7,-0.3 -2,-0.2 -23,-0.1 0.751 111.9 55.7 -59.3 -40.9 -3.1 11.4 3.0 174 174 A S T 3 S+ 0 0 48 7,-0.2 9,-2.9 6,-0.1 -1,-0.3 0.524 80.1 114.3 -82.2 -0.5 -0.9 13.0 0.4 175 175 A D < - 0 0 0 -3,-1.6 6,-2.4 7,-0.2 4,-0.5 -0.503 55.1-155.9 -69.5 129.4 2.2 11.1 1.7 176 176 A P S S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.584 87.0 36.4 -81.0 -8.5 3.5 8.7 -1.0 177 177 A X S S+ 0 0 140 -26,-0.1 -25,-1.5 -25,-0.0 -24,-0.3 0.814 125.3 29.3-117.0 -39.3 5.2 6.4 1.5 178 178 A e S S+ 0 0 0 -27,-0.2 -27,-0.3 -6,-0.1 2,-0.2 0.655 135.0 22.5 -94.4 -13.6 3.3 6.1 4.7 179 179 A d S S- 0 0 4 -4,-0.5 -27,-0.2 -29,-0.1 -6,-0.1 -0.475 93.4 -99.2-125.3-164.0 0.0 6.7 2.8 180 180 A N S S+ 0 0 120 -7,-0.3 -6,-0.1 -2,-0.2 -7,-0.1 -0.150 79.2 115.9-118.7 37.4 -1.0 6.2 -0.9 181 181 A G - 0 0 25 -6,-2.4 -7,-0.2 -9,-0.2 -6,-0.2 -0.047 62.2-132.4 -89.8-168.5 -0.6 9.9 -1.9 182 182 A S + 0 0 119 -8,-0.1 2,-0.6 1,-0.1 -7,-0.2 0.096 69.4 99.4-143.4 24.2 1.7 11.6 -4.4 183 183 A N >> - 0 0 73 -9,-2.9 3,-1.2 1,-0.1 4,-0.7 -0.822 42.3-175.0-119.3 99.5 3.1 14.6 -2.7 184 184 A A H >> S+ 0 0 49 -2,-0.6 4,-0.8 1,-0.3 3,-0.6 0.796 79.2 72.3 -60.5 -26.1 6.6 13.8 -1.5 185 185 A A H >4 S+ 0 0 70 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.901 90.4 60.2 -57.5 -38.9 6.8 17.3 0.1 186 186 A T H X4 S+ 0 0 26 -3,-1.2 3,-1.6 1,-0.3 4,-0.3 0.879 96.0 60.7 -54.7 -42.7 4.4 16.0 2.7 187 187 A H H << S+ 0 0 5 -4,-0.7 3,-0.4 -3,-0.6 -1,-0.3 0.771 104.4 50.9 -57.2 -26.3 6.8 13.3 3.8 188 188 A Q T << S+ 0 0 101 -3,-1.4 -1,-0.3 -4,-0.8 3,-0.2 0.473 100.7 59.5 -96.0 1.7 9.3 15.9 4.8 189 189 A G <> + 0 0 29 -3,-1.6 4,-2.4 -4,-0.4 3,-0.3 0.397 61.4 105.3-117.5 12.1 7.3 18.3 7.0 190 190 A Y H > S+ 0 0 0 -3,-0.4 4,-2.8 -4,-0.3 5,-0.5 0.768 76.5 65.2 -60.3 -29.6 6.0 16.2 9.9 191 191 A G H > S+ 0 0 9 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.956 111.4 31.6 -59.9 -52.0 8.6 17.8 12.2 192 192 A S H 4 S+ 0 0 118 -3,-0.3 4,-0.3 2,-0.2 -2,-0.2 0.868 122.9 50.2 -74.9 -35.0 7.1 21.3 11.9 193 193 A E H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.918 130.7 10.6 -71.6 -40.5 3.5 20.0 11.5 194 194 A Y H X S+ 0 0 18 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.399 94.0 102.1-122.6 -0.3 3.3 17.6 14.5 195 195 A G H X S+ 0 0 7 -4,-1.3 4,-2.8 -5,-0.5 5,-0.2 0.900 86.4 48.6 -54.5 -45.8 6.5 18.2 16.6 196 196 A S H > S+ 0 0 100 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.894 112.8 47.7 -63.3 -43.0 4.6 20.2 19.2 197 197 A Q H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 112.0 50.9 -60.0 -44.5 1.8 17.5 19.4 198 198 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.944 109.0 50.1 -60.8 -49.2 4.5 14.9 19.7 199 199 A L H X S+ 0 0 45 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.870 107.9 53.4 -58.7 -40.0 6.3 16.8 22.5 200 200 A A H X S+ 0 0 61 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.903 109.4 49.5 -62.7 -37.9 3.1 17.2 24.5 201 201 A F H X S+ 0 0 30 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.957 111.0 47.6 -65.5 -50.3 2.5 13.5 24.3 202 202 A V H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.5 0.924 111.4 53.6 -56.2 -44.3 6.0 12.6 25.4 203 203 A K H 3X S+ 0 0 91 -4,-2.8 4,-2.2 1,-0.3 3,-0.5 0.917 105.5 52.0 -56.3 -47.4 5.5 15.2 28.2 204 204 A S H 3< S+ 0 0 88 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.797 113.3 45.4 -65.1 -21.8 2.3 13.5 29.4 205 205 A K H << S+ 0 0 62 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.748 116.3 44.1 -90.9 -21.6 4.1 10.2 29.6 206 206 A L H < 0 0 7 -4,-1.5 -2,-0.2 -3,-0.5 -3,-0.2 0.759 360.0 360.0 -94.6 -33.4 7.2 11.4 31.3 207 207 A G < 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.634 360.0 360.0 100.9 360.0 5.9 13.7 34.1