==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-13 4JYP . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR Y.GUO,Z.ZHENG,J.P.NOEL . 534 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0 0 0 0 2 2 4 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 5 1 2 2 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 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 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 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 G > 0 0 74 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.9 -76.1 -67.6 -2.1 2 3 A V H > + 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.866 360.0 52.1 -62.8 -36.3 -79.7 -66.9 -1.3 3 4 A V H > S+ 0 0 46 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.940 112.2 45.8 -65.5 -44.9 -79.2 -67.2 2.5 4 5 A E H 4>S+ 0 0 28 1,-0.2 5,-2.7 2,-0.2 3,-0.4 0.918 114.2 47.5 -65.2 -43.5 -76.3 -64.7 2.4 5 6 A E H ><5S+ 0 0 127 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.909 108.2 56.1 -61.1 -42.9 -78.2 -62.3 0.2 6 7 A A H 3<5S+ 0 0 16 -4,-2.4 51,-0.3 1,-0.3 -1,-0.2 0.771 113.9 39.8 -63.3 -25.6 -81.3 -62.6 2.4 7 8 A H T 3<5S- 0 0 8 -4,-1.2 42,-3.0 -3,-0.4 -1,-0.3 0.200 109.4-120.6-107.5 11.4 -79.3 -61.5 5.4 8 9 A N T < 5 - 0 0 44 -3,-1.6 -3,-0.2 40,-0.2 -2,-0.1 0.870 41.5-164.7 52.1 41.3 -77.2 -58.9 3.6 9 10 A V < - 0 0 23 -5,-2.7 2,-0.4 -6,-0.1 39,-0.2 -0.338 10.3-170.1 -61.5 133.8 -74.0 -60.7 4.5 10 11 A K E -A 47 0A 42 37,-2.4 37,-2.6 -2,-0.1 2,-0.5 -0.994 5.3-167.0-124.8 134.1 -70.8 -58.8 4.1 11 12 A V E -A 46 0A 64 -2,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.988 3.7-172.2-123.5 121.7 -67.4 -60.4 4.4 12 13 A I E -A 45 0A 0 33,-2.8 33,-2.8 -2,-0.5 2,-0.1 -0.953 55.1 -7.7-119.1 111.4 -64.4 -58.1 4.7 13 14 A G - 0 0 17 -2,-0.5 2,-0.2 31,-0.2 31,-0.1 -0.339 68.4-115.9 97.7 178.1 -60.9 -59.7 4.5 14 15 A S + 0 0 94 -2,-0.1 3,-0.1 417,-0.1 2,-0.1 -0.791 53.0 83.7-141.6-175.2 -59.7 -63.3 4.4 15 16 A G S S- 0 0 47 -2,-0.2 29,-0.1 1,-0.1 28,-0.0 -0.240 82.7 -69.7 100.6 170.1 -57.7 -65.7 6.4 16 17 A E S S+ 0 0 183 -2,-0.1 2,-0.4 27,-0.1 71,-0.2 0.927 104.0 86.1 -66.9 -48.0 -58.4 -68.1 9.3 17 18 A A + 0 0 48 25,-0.1 27,-2.9 -3,-0.1 2,-0.4 -0.398 64.5 174.7 -65.8 114.0 -58.9 -65.5 12.1 18 19 A T E -b 44 0A 5 -2,-0.4 71,-2.5 69,-0.3 2,-0.4 -0.950 23.8-167.2-132.9 137.4 -62.6 -64.6 11.8 19 20 A I E -bc 45 89A 0 25,-2.8 27,-2.9 -2,-0.4 2,-0.4 -0.993 7.0-163.3-126.0 131.5 -65.0 -62.4 13.7 20 21 A V E -bc 46 90A 0 69,-2.8 71,-2.9 -2,-0.4 2,-0.5 -0.956 6.6-158.5-117.9 130.4 -68.8 -62.5 13.2 21 22 A L E -bc 47 91A 0 25,-2.5 27,-1.0 -2,-0.4 2,-0.4 -0.955 6.2-170.8-118.9 124.0 -71.0 -59.7 14.5 22 23 A G E - c 0 92A 0 69,-2.8 71,-2.7 -2,-0.5 2,-0.1 -0.937 13.8-142.6-116.2 137.8 -74.7 -60.0 15.2 23 24 A H - 0 0 4 25,-0.5 73,-0.2 -2,-0.4 6,-0.1 -0.388 11.2-116.9-100.8 170.3 -77.0 -57.1 16.0 24 25 A G > - 0 0 0 4,-0.2 3,-1.4 1,-0.2 26,-0.1 -0.289 46.2 -57.4 -98.2-178.4 -79.9 -56.5 18.3 25 26 A F T 3 S+ 0 0 36 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.254 116.9 17.7 -56.1 138.4 -83.6 -55.6 18.0 26 27 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.353 116.6 65.7 87.7 -9.3 -84.5 -52.4 16.2 27 28 A T < - 0 0 5 -3,-1.4 -1,-0.3 149,-0.1 27,-0.3 -0.440 64.5-144.2-125.1-161.4 -81.1 -52.0 14.4 28 29 A D > - 0 0 10 -2,-0.2 3,-2.4 -3,-0.1 -4,-0.2 -0.834 52.4 -60.5-153.6-169.5 -79.0 -53.7 11.7 29 30 A Q G > S+ 0 0 20 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.703 119.0 78.6 -59.6 -18.1 -75.4 -54.4 11.0 30 31 A S G > S+ 0 0 30 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.678 72.5 80.3 -62.5 -16.3 -74.7 -50.7 10.8 31 32 A V G < S+ 0 0 0 -3,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.766 88.7 57.0 -59.2 -23.6 -74.7 -50.7 14.7 32 33 A W G X> S+ 0 0 1 -3,-1.8 4,-2.5 1,-0.2 3,-1.5 0.280 70.0 114.8 -90.4 8.0 -71.1 -51.9 14.3 33 34 A K T <4 S+ 0 0 90 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.757 78.7 44.2 -58.2 -27.3 -69.9 -49.0 12.3 34 35 A H T 34 S+ 0 0 73 -3,-0.4 -1,-0.3 214,-0.3 4,-0.2 0.604 116.8 46.5 -92.1 -11.7 -67.5 -47.7 15.0 35 36 A L T X4 S+ 0 0 0 -3,-1.5 3,-1.7 2,-0.1 4,-0.3 0.868 99.1 64.8 -91.6 -46.7 -66.1 -51.2 15.8 36 37 A V G >X S+ 0 0 7 -4,-2.5 3,-2.2 1,-0.3 4,-1.7 0.825 91.3 63.2 -51.0 -41.5 -65.4 -52.7 12.4 37 38 A P G 34 S+ 0 0 26 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.830 104.7 49.2 -55.0 -29.5 -62.7 -50.2 11.4 38 39 A H G <4 S+ 0 0 97 -3,-1.7 -2,-0.2 -4,-0.2 4,-0.1 0.427 112.8 47.4 -89.2 -0.8 -60.6 -51.5 14.3 39 40 A L T X> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.3 3,-1.2 0.694 88.5 78.3-107.1 -29.6 -61.0 -55.2 13.4 40 41 A V T 3< S+ 0 0 3 -4,-1.7 -2,-0.1 1,-0.3 5,-0.1 0.710 88.6 57.2 -65.7 -21.4 -60.4 -55.3 9.6 41 42 A D T 34 S+ 0 0 132 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.798 120.7 27.5 -76.2 -26.7 -56.6 -55.3 9.9 42 43 A D T <4 S+ 0 0 100 -3,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.597 121.5 39.5-110.7 -16.9 -56.4 -58.3 12.1 43 44 A Y S < S- 0 0 38 -4,-2.0 2,-0.6 -31,-0.1 -25,-0.2 -0.955 72.4-115.4-137.0 151.5 -59.6 -60.3 11.2 44 45 A R E - b 0 18A 50 -27,-2.9 -25,-2.8 -2,-0.3 2,-0.5 -0.807 46.8-149.4 -73.2 121.8 -61.8 -61.5 8.5 45 46 A V E -Ab 12 19A 0 -33,-2.8 -33,-2.8 -2,-0.6 2,-0.5 -0.871 14.4-166.3-107.2 128.0 -65.0 -59.7 9.5 46 47 A V E -Ab 11 20A 0 -27,-2.9 -25,-2.5 -2,-0.5 2,-0.4 -0.964 6.5-177.2-114.7 124.8 -68.5 -61.0 8.8 47 48 A L E +Ab 10 21A 7 -37,-2.6 -37,-2.4 -2,-0.5 2,-0.3 -0.926 8.4 165.1-114.8 145.8 -71.6 -58.8 9.2 48 49 A Y - 0 0 5 -27,-1.0 -25,-0.5 -2,-0.4 2,-0.4 -0.990 29.7-122.4-154.2 159.3 -75.2 -59.9 8.7 49 50 A D - 0 0 3 -42,-3.0 2,-0.2 -2,-0.3 -21,-0.1 -0.826 28.9-116.4-102.9 141.9 -78.7 -58.8 9.5 50 51 A N > - 0 0 13 -2,-0.4 3,-2.3 -26,-0.1 6,-0.1 -0.487 41.9 -97.1 -66.3 144.2 -81.3 -60.7 11.5 51 52 A M T 3 S+ 0 0 6 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.400 115.4 36.4 -60.6 135.0 -84.3 -61.8 9.5 52 53 A G T 3 S+ 0 0 4 1,-0.4 129,-0.3 5,-0.1 -1,-0.3 0.209 82.8 132.4 100.3 -16.8 -87.0 -59.2 10.3 53 54 A A S X S- 0 0 7 -3,-2.3 3,-2.4 1,-0.1 -1,-0.4 -0.340 73.8-108.9 -58.1 153.2 -84.6 -56.3 10.4 54 55 A G T 3 S+ 0 0 21 122,-0.4 -1,-0.1 1,-0.3 -26,-0.1 0.758 118.7 60.5 -59.2 -25.5 -85.8 -53.3 8.3 55 56 A T T 3 S+ 0 0 54 2,-0.1 -1,-0.3 -48,-0.0 2,-0.2 0.390 95.7 82.1 -82.8 0.4 -83.1 -54.0 5.7 56 57 A T S < S- 0 0 14 -3,-2.4 -49,-0.1 -6,-0.1 -50,-0.1 -0.705 91.9 -96.1-107.6 162.0 -84.5 -57.5 5.1 57 58 A N > - 0 0 67 -51,-0.3 3,-2.2 -2,-0.2 4,-0.2 -0.643 25.0-149.7 -77.3 116.6 -87.3 -58.7 2.9 58 59 A P G > S+ 0 0 49 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.729 93.0 71.7 -61.2 -19.9 -90.5 -59.1 5.0 59 60 A D G 3 S+ 0 0 130 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.738 95.1 54.3 -65.4 -21.5 -91.6 -61.9 2.7 60 61 A Y G < S+ 0 0 117 -3,-2.2 2,-1.4 -54,-0.1 -1,-0.3 0.450 78.5 107.5 -90.3 -3.1 -88.9 -64.0 4.2 61 62 A F < - 0 0 10 -3,-1.5 2,-0.8 -4,-0.2 3,-0.1 -0.643 53.8-167.1 -82.2 96.5 -90.0 -63.5 7.8 62 63 A D > - 0 0 83 -2,-1.4 4,-2.1 1,-0.2 5,-0.2 -0.738 7.9-157.5 -85.0 106.7 -91.5 -66.9 8.7 63 64 A F T 4 S+ 0 0 82 -2,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.859 90.8 49.2 -59.7 -36.6 -93.4 -66.2 11.9 64 65 A D T >4 S+ 0 0 130 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.922 109.9 50.9 -67.9 -42.5 -93.3 -69.9 13.0 65 66 A R G >4 S+ 0 0 93 1,-0.2 3,-0.6 2,-0.1 6,-0.4 0.894 116.4 40.7 -61.6 -39.0 -89.6 -70.2 12.3 66 67 A Y G 3< S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.311 83.8 98.3 -98.2 11.0 -88.8 -67.1 14.4 67 68 A S G < S+ 0 0 69 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.2 0.619 91.8 40.0 -71.3 -13.1 -91.3 -67.8 17.2 68 69 A N S X S- 0 0 78 -3,-0.6 3,-1.7 -4,-0.2 4,-0.5 -0.978 89.6-120.8-130.7 149.5 -88.4 -69.1 19.1 69 70 A L T >> S+ 0 0 4 -2,-0.3 4,-1.5 1,-0.3 3,-0.8 0.749 105.6 77.1 -61.6 -21.0 -84.8 -67.7 19.3 70 71 A E H 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.823 83.3 64.2 -59.4 -31.1 -83.6 -71.0 17.9 71 72 A G H <> S+ 0 0 3 -3,-1.7 4,-1.5 -6,-0.4 -1,-0.2 0.901 103.9 46.3 -58.2 -41.8 -84.8 -70.0 14.4 72 73 A Y H <> S+ 0 0 14 -3,-0.8 4,-2.1 -4,-0.5 -1,-0.2 0.860 109.4 55.0 -67.8 -34.9 -82.3 -67.1 14.4 73 74 A S H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.878 105.2 52.7 -67.2 -35.0 -79.6 -69.5 15.7 74 75 A F H X S+ 0 0 88 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.896 107.7 52.2 -65.0 -39.4 -80.2 -71.8 12.7 75 76 A D H X S+ 0 0 10 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.921 109.3 49.7 -60.0 -44.3 -79.8 -68.8 10.4 76 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.936 111.5 47.1 -63.0 -46.2 -76.5 -68.0 12.0 77 78 A I H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.909 110.2 54.5 -62.8 -37.8 -75.2 -71.6 11.7 78 79 A A H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.897 108.3 48.3 -61.3 -43.0 -76.4 -71.6 8.1 79 80 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.932 111.6 49.5 -63.1 -46.3 -74.4 -68.5 7.3 80 81 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.916 113.5 46.6 -60.3 -43.9 -71.2 -69.9 8.9 81 82 A E H ><5S+ 0 0 102 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.927 111.2 50.8 -63.9 -45.3 -71.6 -73.1 7.0 82 83 A D H 3<5S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 112.3 47.2 -62.3 -34.3 -72.2 -71.4 3.7 83 84 A L T 3<5S- 0 0 44 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.443 111.4-123.9 -86.3 -1.0 -69.1 -69.2 4.2 84 85 A K T < 5 + 0 0 173 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.2 0.840 51.1 164.0 60.6 37.7 -67.1 -72.3 5.2 85 86 A I < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.771 18.6-179.6 -88.4 118.6 -66.1 -70.8 8.5 86 87 A E + 0 0 169 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.664 69.5 10.9 -93.3 -17.6 -64.8 -73.5 10.8 87 88 A S + 0 0 60 -71,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.953 68.2 165.3-159.2 136.7 -64.2 -71.2 13.8 88 89 A C E - d 0 111A 2 22,-1.6 24,-2.7 -2,-0.3 25,-0.8 -0.982 38.8-118.2-145.7 160.9 -65.0 -67.7 14.8 89 90 A I E -cd 19 113A 17 -71,-2.5 -69,-2.8 -2,-0.3 2,-0.5 -0.889 39.1-150.6 -86.1 130.5 -65.1 -65.1 17.6 90 91 A F E -cd 20 114A 0 23,-2.5 25,-3.0 -2,-0.5 2,-0.6 -0.932 12.6-166.4-110.6 127.1 -68.8 -64.1 17.8 91 92 A V E -cd 21 115A 0 -71,-2.9 -69,-2.8 -2,-0.5 2,-0.5 -0.960 12.7-171.5-110.5 115.3 -69.8 -60.7 19.0 92 93 A G E -cd 22 116A 0 23,-2.6 25,-2.5 -2,-0.6 2,-0.5 -0.945 10.8-155.5-116.2 121.7 -73.5 -60.5 19.8 93 94 A H E > - d 0 117A 1 -71,-2.7 3,-2.0 -2,-0.5 25,-0.2 -0.815 61.2 -44.7 -93.0 129.1 -75.4 -57.4 20.7 94 95 A S T >> S+ 0 0 7 23,-3.3 3,-2.0 -2,-0.5 4,-0.8 -0.269 136.9 10.4 54.4-124.3 -78.6 -57.7 22.7 95 96 A V H >> S+ 0 0 5 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.825 123.6 67.5 -57.5 -31.3 -80.7 -60.6 21.5 96 97 A S H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.801 90.3 63.3 -61.1 -26.2 -77.8 -61.7 19.3 97 98 A A H <> S+ 0 0 0 -3,-2.0 4,-2.0 20,-0.2 -1,-0.2 0.939 108.6 40.4 -59.4 -45.8 -75.8 -62.6 22.4 98 99 A M H X S+ 0 0 12 -4,-2.6 4,-1.3 1,-0.2 3,-0.7 0.918 111.1 51.6 -62.1 -42.4 -78.0 -71.1 21.4 103 104 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.890 106.4 56.1 -59.6 -36.6 -76.0 -71.7 18.2 104 105 A S H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.729 99.7 59.0 -72.2 -21.6 -73.0 -72.6 20.4 105 106 A L H << S+ 0 0 56 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.869 114.5 36.7 -69.6 -37.4 -75.0 -75.3 22.1 106 107 A N H < S+ 0 0 90 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.853 137.6 17.2 -81.8 -35.9 -75.6 -77.0 18.8 107 108 A R >< + 0 0 75 -4,-2.7 3,-1.7 -5,-0.2 4,-0.3 -0.556 62.7 160.3-137.3 69.2 -72.2 -76.3 17.3 108 109 A P G > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.792 73.8 70.8 -63.5 -21.9 -69.7 -75.3 20.0 109 110 A D G 3 S+ 0 0 89 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.731 90.6 59.9 -63.5 -23.2 -66.9 -76.2 17.5 110 111 A L G < S+ 0 0 6 -3,-1.7 -22,-1.6 -7,-0.1 2,-0.4 0.594 100.3 61.3 -83.2 -10.2 -67.8 -73.1 15.4 111 112 A F E < +d 88 0A 9 -3,-1.4 -22,-0.2 -4,-0.3 3,-0.1 -0.963 44.4 176.4-126.5 128.4 -67.1 -70.6 18.2 112 113 A S E S- 0 0 59 -24,-2.7 2,-0.3 -2,-0.4 -23,-0.2 0.696 80.3 -1.8 -95.7 -22.6 -63.8 -69.9 20.1 113 114 A K E -d 89 0A 6 -25,-0.8 -23,-2.5 93,-0.1 2,-0.4 -0.962 58.7-145.7-164.1 144.6 -65.3 -67.1 22.2 114 115 A I E -de 90 208A 0 93,-2.4 95,-2.7 -2,-0.3 2,-0.6 -0.995 10.2-164.7-117.8 126.0 -68.5 -65.1 22.6 115 116 A V E -de 91 209A 0 -25,-3.0 -23,-2.6 -2,-0.4 2,-0.4 -0.962 13.5-159.3-108.1 120.2 -68.4 -61.4 23.4 116 117 A M E -de 92 210A 0 93,-3.5 95,-2.5 -2,-0.6 2,-0.5 -0.833 9.6-169.0-104.9 137.8 -71.8 -60.2 24.6 117 118 A I E S-de 93 211A 2 -25,-2.5 -23,-3.3 -2,-0.4 -20,-0.2 -0.985 76.3 -12.5-126.1 119.6 -72.9 -56.6 24.6 118 119 A S S S+ 0 0 0 93,-2.3 2,-0.2 -2,-0.5 94,-0.1 0.860 92.5 169.0 63.6 37.6 -76.1 -55.6 26.4 119 120 A A + 0 0 5 92,-0.5 -1,-0.2 -27,-0.1 108,-0.1 -0.523 16.9 175.6 -85.7 151.5 -77.2 -59.3 26.8 120 121 A S - 0 0 2 -26,-0.2 3,-0.1 -2,-0.2 -22,-0.1 -0.958 24.6-160.1-151.0 135.3 -80.0 -60.7 29.0 121 122 A P S S+ 0 0 0 0, 0.0 76,-3.1 0, 0.0 77,-0.6 0.540 88.3 14.2 -86.7 -7.8 -81.3 -64.2 29.3 122 123 A R - 0 0 44 74,-0.2 74,-0.1 75,-0.2 71,-0.1 -0.823 51.0-175.0-170.1 125.2 -84.6 -63.0 30.8 123 124 A Y + 0 0 6 72,-0.5 10,-1.7 70,-0.4 2,-0.3 0.721 64.4 88.2 -95.8 -28.4 -86.3 -59.6 31.0 124 125 A V B S-g 133 0B 10 71,-0.3 10,-0.2 69,-0.3 2,-0.1 -0.595 74.2-129.3 -81.1 131.7 -89.3 -60.5 33.1 125 126 A N + 0 0 33 8,-2.9 2,-0.3 -2,-0.3 5,-0.2 -0.420 26.3 177.5 -71.6 148.4 -89.0 -60.3 36.9 126 127 A D B > -H 129 0C 69 3,-2.6 3,-1.6 -2,-0.1 5,-0.0 -0.861 51.0 -85.6-136.0-180.0 -90.0 -63.1 39.3 127 128 A V T 3 S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.731 129.3 29.9 -61.1 -19.7 -89.7 -63.3 43.1 128 129 A D T 3 S+ 0 0 148 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.191 117.2 59.0-123.0 15.6 -86.1 -64.6 42.8 129 130 A Y B < -H 126 0C 17 -3,-1.6 -3,-2.6 97,-0.0 2,-0.6 -0.957 58.7-155.5-149.6 128.3 -84.9 -62.9 39.6 130 131 A Q + 0 0 106 -2,-0.3 -5,-0.1 -5,-0.2 -6,-0.1 -0.917 25.9 155.8-104.6 112.5 -84.6 -59.3 38.4 131 132 A G - 0 0 0 -2,-0.6 -1,-0.1 -8,-0.3 -7,-0.1 0.511 62.9-105.7-105.1 -15.9 -84.7 -58.8 34.7 132 133 A G S S+ 0 0 36 1,-0.2 2,-0.4 87,-0.1 -8,-0.2 0.278 87.1 78.5 113.0 -9.9 -85.9 -55.2 34.7 133 134 A F B -g 124 0B 23 -10,-1.7 -8,-2.9 85,-0.1 2,-0.3 -0.989 58.4-147.1-138.5 138.1 -89.5 -55.6 33.6 134 135 A E >> - 0 0 94 -2,-0.4 4,-1.6 -10,-0.2 3,-0.8 -0.762 33.7-117.7 -93.9 151.4 -92.9 -56.6 35.1 135 136 A Q H 3> S+ 0 0 60 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.860 112.4 59.4 -57.3 -37.3 -95.3 -58.4 32.7 136 137 A E H 3> S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.859 105.5 48.8 -60.7 -36.0 -97.9 -55.6 33.0 137 138 A D H <> S+ 0 0 94 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.847 108.8 52.3 -75.8 -33.2 -95.4 -53.1 31.7 138 139 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.911 107.3 54.1 -62.4 -41.5 -94.5 -55.3 28.8 139 140 A N H X S+ 0 0 81 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 107.8 48.9 -59.5 -41.9 -98.2 -55.6 28.0 140 141 A Q H X S+ 0 0 127 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.869 109.8 53.1 -63.8 -38.1 -98.4 -51.8 27.9 141 142 A L H X S+ 0 0 25 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.935 109.3 46.9 -63.6 -47.9 -95.4 -51.7 25.6 142 143 A F H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.872 110.6 54.2 -63.2 -36.4 -96.9 -54.1 23.2 143 144 A E H X S+ 0 0 142 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.906 108.3 49.1 -61.9 -42.3 -100.2 -52.1 23.3 144 145 A A H X S+ 0 0 40 -4,-2.1 4,-1.9 2,-0.2 8,-0.3 0.883 108.8 52.7 -66.4 -41.1 -98.3 -48.9 22.4 145 146 A I H < S+ 0 0 5 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 112.9 44.2 -57.9 -48.9 -96.5 -50.6 19.5 146 147 A R H < S+ 0 0 206 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.811 110.9 56.0 -68.1 -31.1 -99.8 -51.8 18.0 147 148 A S H < S- 0 0 102 -4,-1.8 2,-0.2 1,-0.2 -1,-0.2 0.949 131.8 -10.8 -68.4 -53.1 -101.6 -48.5 18.6 148 149 A N X - 0 0 87 -4,-1.9 4,-2.4 -5,-0.1 -1,-0.2 -0.749 60.6-169.2-154.4 97.4 -99.2 -46.1 16.7 149 150 A Y H > S+ 0 0 15 -3,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.900 87.1 49.6 -62.8 -44.2 -95.9 -47.6 15.5 150 151 A K H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 112.7 46.9 -60.0 -46.9 -94.3 -44.3 14.5 151 152 A A H > S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 112.6 50.8 -63.2 -40.7 -95.2 -42.6 17.7 152 153 A W H X S+ 0 0 25 -4,-2.4 4,-2.5 -8,-0.3 3,-0.3 0.941 109.7 49.9 -62.0 -47.1 -93.9 -45.6 19.7 153 154 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.904 109.2 51.9 -55.7 -44.4 -90.6 -45.6 17.8 154 155 A L H < S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 116.2 39.8 -66.5 -31.8 -90.1 -41.8 18.4 155 156 A G H X S+ 0 0 44 -4,-1.6 4,-0.6 -3,-0.3 -1,-0.2 0.783 118.5 46.3 -85.0 -30.2 -90.7 -42.2 22.2 156 157 A F H X S+ 0 0 27 -4,-2.5 4,-2.5 -5,-0.2 3,-0.3 0.869 98.9 66.9 -83.1 -38.0 -88.8 -45.5 22.6 157 158 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.897 100.4 47.5 -55.9 -47.2 -85.6 -44.7 20.6 158 159 A P H > S+ 0 0 33 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.871 113.4 50.2 -65.1 -29.5 -84.2 -42.0 23.0 159 160 A L H < S+ 0 0 108 -4,-0.6 58,-0.4 -3,-0.3 -2,-0.2 0.907 113.6 44.3 -70.8 -41.3 -84.9 -44.3 26.0 160 161 A A H < S+ 0 0 5 -4,-2.5 85,-2.9 1,-0.2 86,-0.4 0.910 121.1 38.6 -68.8 -43.5 -83.1 -47.3 24.4 161 162 A V H < S- 0 0 1 -4,-2.6 85,-0.2 -5,-0.3 -2,-0.2 0.855 93.5-168.0 -77.3 -34.0 -80.2 -45.3 23.1 162 163 A G < + 0 0 10 -4,-2.1 -1,-0.1 -5,-0.3 8,-0.1 -0.259 43.0 81.1 70.3-165.3 -79.9 -43.0 26.2 163 164 A G S S- 0 0 58 -4,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.242 99.2 -2.6 64.1-157.8 -77.7 -39.9 26.2 164 165 A D > - 0 0 102 1,-0.1 3,-1.8 -3,-0.1 6,-0.3 -0.471 66.0-137.4 -67.3 132.3 -79.0 -36.7 24.6 165 166 A M T 3 S+ 0 0 132 1,-0.3 -1,-0.1 -2,-0.2 -6,-0.1 0.670 102.0 53.1 -67.8 -16.5 -82.4 -37.2 23.1 166 167 A D T 3 S+ 0 0 115 4,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.249 84.1 129.6 -99.6 11.3 -81.5 -35.1 20.0 167 168 A S S <> S- 0 0 33 -3,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.183 70.7-117.7 -70.2 159.2 -78.3 -37.1 19.2 168 169 A I H > S+ 0 0 132 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.880 116.6 55.3 -57.7 -39.1 -77.3 -38.6 15.8 169 170 A A H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 106.6 48.8 -65.1 -41.8 -77.5 -42.0 17.4 170 171 A V H > S+ 0 0 11 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.934 113.1 47.6 -61.0 -46.3 -81.0 -41.5 18.7 171 172 A Q H X S+ 0 0 123 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.913 112.4 50.3 -60.7 -43.7 -82.1 -40.4 15.2 172 173 A E H X S+ 0 0 31 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.920 112.1 45.6 -60.7 -46.8 -80.3 -43.3 13.6 173 174 A F H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.873 109.1 55.8 -68.9 -36.1 -81.9 -45.9 15.9 174 175 A S H X S+ 0 0 15 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.916 110.0 47.7 -60.0 -38.7 -85.4 -44.3 15.4 175 176 A R H X S+ 0 0 142 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.925 113.9 43.6 -68.8 -48.1 -84.9 -44.7 11.7 176 177 A T H < S+ 0 0 3 -4,-2.3 4,-0.5 2,-0.2 -122,-0.4 0.877 114.3 52.5 -68.6 -33.3 -83.8 -48.4 11.8 177 178 A L H >< S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.2 -2,-0.2 0.946 111.0 44.8 -64.7 -47.9 -86.5 -49.1 14.3 178 179 A F H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.720 99.1 74.0 -71.1 -17.2 -89.3 -47.6 12.2 179 180 A N T 3< S+ 0 0 72 -4,-1.3 -1,-0.3 -153,-0.2 -2,-0.2 0.714 79.3 92.4 -65.9 -21.9 -87.8 -49.5 9.1 180 181 A M S < S- 0 0 8 -3,-1.3 -127,-0.1 -4,-0.5 -126,-0.1 -0.511 93.2-106.1 -72.0 143.5 -89.2 -52.7 10.6 181 182 A R >> - 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