==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-99 1D2T . COMPND 2 MOLECULE: ACID PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA BLATTAE; . AUTHOR K.ISHIKAWA,Y.MIHARA,K.GONDOH,E.SUZUKI,Y.ASANO . 222 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 2 0 1 0 1 0 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A G 0 0 79 0, 0.0 14,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.1 37.5 71.3 89.6 2 8 A N + 0 0 70 4,-0.1 2,-0.2 3,-0.1 0, 0.0 -0.332 360.0 147.1 -72.3 162.8 38.3 67.8 90.7 3 9 A D >> - 0 0 9 8,-0.1 4,-3.0 11,-0.1 3,-0.8 -0.864 64.6 -58.1-162.3-166.6 39.8 65.2 88.4 4 10 A T T 34 S+ 0 0 29 9,-2.7 10,-0.1 -2,-0.2 7,-0.1 0.797 128.0 60.3 -59.2 -28.2 42.2 62.2 88.4 5 11 A T T 34 S+ 0 0 99 8,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.836 117.7 28.6 -73.3 -25.9 44.9 64.4 89.8 6 12 A T T <4 S+ 0 0 76 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.775 138.9 21.7 -95.2 -31.3 42.9 65.2 92.9 7 13 A K >X + 0 0 65 -4,-3.0 3,-2.5 1,-0.1 4,-1.2 -0.513 64.3 167.8-137.6 66.2 40.8 62.1 93.2 8 14 A P T 34 S+ 0 0 76 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.554 75.0 63.6 -67.8 -4.6 42.5 59.2 91.3 9 15 A D T 34 S+ 0 0 91 1,-0.1 3,-0.1 -3,-0.1 87,-0.1 0.595 113.9 31.5 -86.4 -16.9 40.2 56.7 92.8 10 16 A L T <4 S+ 0 0 36 -3,-2.5 88,-2.5 1,-0.2 89,-0.7 0.429 119.3 47.3-124.7 -6.9 37.2 58.2 91.1 11 17 A Y < - 0 0 4 -4,-1.2 -1,-0.2 87,-0.2 85,-0.2 -0.994 41.4-176.8-133.5 139.7 38.6 59.6 87.9 12 18 A Y S S+ 0 0 12 -2,-0.3 2,-0.2 -3,-0.1 194,-0.1 0.599 74.7 67.2 -87.5 -26.9 40.8 58.2 85.2 13 19 A L S S- 0 0 0 1,-0.1 -9,-2.7 191,-0.1 -8,-0.3 -0.519 73.4-125.4-103.7 163.9 40.8 61.5 83.4 14 20 A K > - 0 0 85 -11,-0.2 3,-0.7 -2,-0.2 4,-0.3 -0.594 34.7-103.5 -94.3 168.6 41.9 65.0 83.7 15 21 A N G > S+ 0 0 58 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.891 122.4 53.3 -52.7 -39.0 40.2 68.2 83.5 16 22 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.805 104.3 57.3 -69.7 -28.8 41.6 68.8 80.0 17 23 A E G < S+ 0 0 54 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.406 82.6 119.7 -81.2 5.8 40.3 65.5 78.9 18 24 A A S < S- 0 0 32 -3,-1.5 2,-0.3 -4,-0.3 86,-0.1 -0.463 71.6-108.4 -75.4 148.0 36.8 66.2 79.7 19 25 A I - 0 0 31 -2,-0.1 2,-2.2 1,-0.1 88,-0.3 -0.482 31.8-126.4 -57.1 121.2 33.8 66.1 77.2 20 26 A N > + 0 0 90 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 -0.470 35.4 176.3 -74.1 84.5 32.8 69.7 76.8 21 27 A S H > S+ 0 0 0 -2,-2.2 4,-1.9 82,-0.3 -1,-0.2 0.834 74.7 57.4 -58.9 -32.2 29.2 69.2 77.5 22 28 A L H 4 S+ 0 0 58 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.929 111.8 43.3 -66.6 -41.7 28.3 72.8 77.3 23 29 A A H 4 S+ 0 0 75 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.890 119.7 39.7 -64.3 -43.0 29.6 72.8 73.7 24 30 A L H < S+ 0 0 99 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.892 100.2 75.7 -76.8 -47.2 28.1 69.5 72.5 25 31 A L S < S- 0 0 11 -4,-1.9 164,-0.0 -5,-0.2 0, 0.0 -0.359 78.3-119.6 -70.9 147.3 24.6 69.4 74.0 26 32 A P - 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.353 47.9 -88.2 -66.3 160.9 21.6 71.4 72.9 27 33 A P - 0 0 89 0, 0.0 3,-0.1 0, 0.0 81,-0.0 -0.404 52.7 -97.4 -66.1 157.7 20.2 73.8 75.6 28 34 A P - 0 0 22 0, 0.0 8,-0.1 0, 0.0 7,-0.1 -0.350 54.6 -78.6 -68.6 159.8 17.6 72.1 77.9 29 35 A P - 0 0 25 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.319 53.7-133.5 -57.0 132.9 14.0 72.7 77.0 30 36 A A > - 0 0 62 -3,-0.1 3,-2.3 1,-0.1 6,-0.5 -0.521 21.6 -98.5 -85.6 151.0 12.9 76.1 78.1 31 37 A V T 3 S+ 0 0 109 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.530 116.4 41.1 -66.9 132.5 9.8 77.0 80.0 32 38 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.3 -2,-0.3 2,-0.2 0.155 96.9 110.1 101.8 -19.1 7.4 78.2 77.3 33 39 A S S <> S- 0 0 37 -3,-2.3 4,-2.3 1,-0.1 -1,-0.4 -0.580 73.2-131.1 -89.0 153.7 8.5 75.5 74.9 34 40 A I H > S+ 0 0 146 -2,-0.2 4,-2.4 2,-0.2 5,-0.1 0.854 110.3 61.2 -63.8 -31.8 6.6 72.5 73.7 35 41 A A H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.973 105.0 48.0 -65.8 -39.8 9.6 70.4 74.5 36 42 A F H > S+ 0 0 8 -6,-0.5 4,-3.0 2,-0.2 5,-0.2 0.941 105.2 58.7 -62.3 -42.3 9.2 71.5 78.2 37 43 A L H X S+ 0 0 114 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.925 107.6 47.8 -46.0 -43.4 5.5 70.6 77.9 38 44 A N H X S+ 0 0 85 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.927 106.3 54.8 -65.3 -43.6 6.7 67.2 77.1 39 45 A D H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 145,-0.2 0.953 110.2 50.3 -50.4 -50.2 9.2 67.0 80.0 40 46 A Q H X S+ 0 0 45 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.927 109.1 48.2 -51.9 -47.4 6.2 67.9 82.2 41 47 A A H X S+ 0 0 50 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.868 110.3 52.2 -65.9 -34.4 4.0 65.2 80.8 42 48 A M H X S+ 0 0 67 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.879 108.4 52.9 -65.7 -36.4 6.8 62.6 81.2 43 49 A Y H X S+ 0 0 8 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.946 110.8 45.9 -55.3 -54.8 7.1 63.8 84.9 44 50 A E H X S+ 0 0 68 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 112.5 50.7 -63.2 -39.5 3.3 63.2 85.5 45 51 A Q H X S+ 0 0 96 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.938 110.7 46.9 -61.9 -46.2 3.4 59.9 83.8 46 52 A G H >X S+ 0 0 4 -4,-2.5 4,-1.2 1,-0.2 3,-0.8 0.949 108.8 58.9 -58.4 -43.8 6.4 58.7 85.9 47 53 A R H >< S+ 0 0 106 -4,-2.8 3,-0.7 1,-0.3 4,-0.3 0.915 104.1 48.6 -48.5 -47.5 4.5 60.0 88.8 48 54 A L H 3< S+ 0 0 105 -4,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.740 106.5 58.5 -65.4 -21.8 1.6 57.7 88.1 49 55 A L H X< S+ 0 0 53 -4,-1.2 3,-2.5 -3,-0.8 6,-0.9 0.694 81.1 89.2 -79.2 -17.2 4.0 54.8 87.7 50 56 A R T << S+ 0 0 56 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.1 0.820 82.7 55.1 -49.8 -37.4 5.3 55.3 91.3 51 57 A N T 3 S+ 0 0 160 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.556 98.5 80.6 -72.9 -7.4 2.6 53.0 92.7 52 58 A T S <> S- 0 0 58 -3,-2.5 4,-2.6 1,-0.1 5,-0.1 -0.403 97.0 -97.4 -94.5 178.5 3.6 50.1 90.5 53 59 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 129.6 50.9 -58.4 -34.9 6.2 47.4 90.6 54 60 A R H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 107.4 54.4 -64.8 -36.8 8.3 49.6 88.2 55 61 A G H > S+ 0 0 2 -6,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.892 105.7 53.0 -56.5 -46.2 7.6 52.4 90.6 56 62 A K H X S+ 0 0 101 -4,-2.6 4,-2.4 -7,-0.2 -2,-0.2 0.958 110.0 46.3 -57.4 -51.6 9.1 50.3 93.3 57 63 A L H X S+ 0 0 54 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.914 110.1 54.5 -54.9 -44.6 12.2 49.6 91.3 58 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.942 107.1 49.8 -60.4 -41.8 12.5 53.3 90.5 59 65 A A H X S+ 0 0 25 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.947 113.2 47.6 -58.5 -43.0 12.4 54.2 94.2 60 66 A E H >X S+ 0 0 95 -4,-2.4 3,-1.0 2,-0.2 4,-0.7 0.962 112.8 47.6 -58.3 -52.4 15.1 51.6 94.9 61 67 A D H >< S+ 0 0 4 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.880 105.8 59.0 -54.5 -40.2 17.2 52.9 92.0 62 68 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.804 98.4 60.7 -64.6 -21.9 16.7 56.4 93.2 63 69 A N H << S+ 0 0 104 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.699 84.1 109.7 -75.5 -19.1 18.3 55.3 96.5 64 70 A L << - 0 0 43 -3,-1.2 2,-0.2 -4,-0.7 -3,-0.0 -0.354 56.7-153.2 -59.4 128.6 21.5 54.4 94.6 65 71 A S >> - 0 0 77 -2,-0.2 3,-1.7 1,-0.1 4,-0.9 -0.502 39.2 -96.0 -82.5 167.9 24.5 56.5 95.1 66 72 A S H >> S+ 0 0 40 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.916 127.0 57.0 -51.7 -40.8 27.1 56.7 92.3 67 73 A G H 34 S+ 0 0 38 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.747 100.8 55.3 -61.4 -24.4 29.0 54.1 94.0 68 74 A G H <> S+ 0 0 20 -3,-1.7 4,-2.4 1,-0.1 -1,-0.2 0.650 84.2 84.9 -90.5 -7.7 26.1 51.6 94.0 69 75 A V H < S+ 0 0 7 -4,-0.5 3,-1.6 1,-0.2 -1,-0.2 0.918 112.0 41.6 -41.2 -53.8 28.1 49.1 89.4 71 77 A N H >4 S+ 0 0 74 -4,-0.5 3,-2.2 1,-0.3 10,-0.3 0.842 100.9 72.1 -71.8 -28.7 26.5 46.6 91.6 72 78 A A H 3< S+ 0 0 19 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.642 93.1 59.1 -51.7 -18.0 23.1 47.7 90.3 73 79 A F T >S+ 0 0 21 -3,-2.2 4,-1.4 1,-0.2 5,-1.0 0.900 80.8 45.6 -59.5 -39.3 24.5 42.5 88.6 75 81 A G H 45S+ 0 0 62 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.958 116.5 44.8 -67.5 -47.7 21.3 41.0 87.4 76 82 A A H 45S+ 0 0 14 -4,-0.3 89,-0.3 1,-0.2 -2,-0.2 0.945 113.1 53.5 -55.4 -47.3 21.7 42.3 83.9 77 83 A F H <5S- 0 0 3 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.777 108.8-124.5 -63.3 -24.9 25.3 41.2 83.9 78 84 A G T <5S+ 0 0 52 -4,-1.4 -3,-0.2 -5,-0.3 -1,-0.1 0.404 80.9 46.0 98.6 -10.0 24.5 37.7 84.9 79 85 A S S S- 0 0 31 -2,-0.9 4,-2.7 1,-0.1 8,-0.3 -0.948 73.8-110.4-143.8 156.3 30.9 43.2 93.9 83 89 A E T 4 S+ 0 0 153 -2,-0.3 8,-0.1 1,-0.2 -1,-0.1 0.859 119.1 49.9 -56.1 -33.5 34.3 43.8 95.6 84 90 A K T 4 S+ 0 0 168 2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.918 124.6 22.2 -69.2 -49.6 34.1 40.3 96.9 85 91 A D T 4 S+ 0 0 73 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.741 136.4 23.2 -95.2 -33.9 33.3 38.5 93.7 86 92 A A X + 0 0 10 -4,-2.7 4,-3.4 1,-0.1 5,-0.2 -0.448 65.9 157.4-135.3 64.8 34.4 40.7 90.9 87 93 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.889 74.4 50.6 -59.3 -42.3 37.2 43.0 92.3 88 94 A A H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 126,-0.3 0.966 117.1 44.0 -59.1 -45.8 39.0 43.9 89.0 89 95 A L H > S+ 0 0 3 125,-0.2 4,-2.3 2,-0.2 5,-0.3 0.936 111.9 50.3 -59.3 -53.2 35.6 44.8 87.5 90 96 A H H X S+ 0 0 22 -4,-3.4 4,-2.3 -8,-0.3 5,-0.2 0.936 111.5 50.2 -54.2 -42.5 34.3 46.7 90.5 91 97 A K H X S+ 0 0 94 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.944 108.9 51.4 -60.7 -50.6 37.5 48.7 90.6 92 98 A L H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 -2,-0.2 0.952 113.7 43.9 -44.3 -55.6 37.3 49.6 86.9 93 99 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.841 113.8 49.3 -67.2 -34.8 33.8 50.8 87.2 94 100 A T H >< S+ 0 0 37 -4,-2.3 3,-1.6 -5,-0.3 4,-0.4 0.890 104.6 58.5 -66.9 -41.6 34.4 52.8 90.4 95 101 A N H 3< S+ 0 0 12 -4,-2.5 4,-0.2 1,-0.3 -1,-0.2 0.710 107.8 46.9 -68.3 -15.8 37.4 54.5 89.0 96 102 A M T 3X S+ 0 0 1 -4,-0.9 4,-2.0 -85,-0.2 5,-0.3 0.377 80.4 104.6-102.6 1.8 35.4 56.0 86.1 97 103 A I H <> S+ 0 0 10 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 0.908 87.3 36.0 -46.5 -52.8 32.4 57.2 88.2 98 104 A E H >>S+ 0 0 43 -88,-2.5 5,-2.7 -4,-0.4 4,-1.9 0.754 106.0 65.5 -88.7 -19.8 33.4 60.9 88.1 99 105 A D H 4>S+ 0 0 0 -89,-0.7 5,-2.3 -4,-0.2 -1,-0.2 0.972 118.6 29.5 -49.3 -54.5 34.7 60.9 84.6 100 106 A A H <5S+ 0 0 0 -4,-2.0 -2,-0.2 3,-0.2 -3,-0.1 0.901 128.3 41.6 -71.5 -43.9 31.1 60.2 83.6 101 107 A G H <5S+ 0 0 8 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.881 133.1 9.7 -77.7 -38.2 29.3 61.9 86.5 102 108 A D T >X5S+ 0 0 31 -4,-1.9 4,-2.0 -5,-0.2 3,-1.5 0.846 125.5 44.9-105.2 -67.9 31.3 65.0 86.8 103 109 A L T 34 S+ 0 0 1 -3,-1.5 4,-2.7 -6,-0.1 -1,-0.2 0.497 92.2 95.1-113.4 -10.9 28.5 66.9 82.7 106 112 A R H X S+ 0 0 48 -4,-2.0 4,-3.1 -3,-0.3 5,-0.4 0.890 79.5 46.7 -62.5 -50.9 30.1 69.8 84.4 107 113 A S H > S+ 0 0 38 -4,-0.4 4,-1.5 -88,-0.3 -1,-0.2 0.901 118.8 42.4 -63.8 -35.6 30.1 72.7 82.0 108 114 A A H > S+ 0 0 0 2,-0.2 4,-2.9 -3,-0.2 5,-0.4 0.938 114.6 52.1 -73.2 -45.7 26.5 72.3 80.9 109 115 A K H X S+ 0 0 32 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.965 114.9 41.1 -45.7 -58.3 25.4 71.6 84.6 110 116 A D H < S+ 0 0 108 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.0 48.4 -69.3 -32.3 27.1 74.7 85.8 111 117 A H H < S+ 0 0 112 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.950 120.4 32.5 -71.4 -48.7 26.0 76.9 83.0 112 118 A Y H < S- 0 0 61 -4,-2.9 -2,-0.2 27,-0.3 -3,-0.2 0.804 77.9-166.2 -80.3 -28.4 22.4 76.0 82.8 113 119 A M < - 0 0 114 -4,-2.8 -3,-0.1 -5,-0.4 -4,-0.1 0.859 22.4-163.6 45.8 42.9 21.8 75.4 86.5 114 120 A R - 0 0 22 -5,-0.3 24,-2.4 25,-0.3 2,-0.3 -0.406 16.5-118.4 -69.6 140.3 18.5 73.8 85.7 115 121 A I - 0 0 55 21,-0.2 21,-0.3 22,-0.1 -1,-0.1 -0.530 28.5-125.4 -68.5 127.1 15.8 73.2 88.4 116 122 A R > - 0 0 39 19,-2.6 4,-2.6 -2,-0.3 5,-0.2 -0.273 25.3-107.4 -66.5 156.7 14.9 69.5 89.0 117 123 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.951 116.2 51.8 -55.4 -54.4 11.2 68.5 88.7 118 124 A F H >>S+ 0 0 19 62,-1.8 5,-2.8 1,-0.2 4,-0.8 0.931 115.6 44.5 -50.0 -41.3 10.5 67.9 92.5 119 125 A A H 45S+ 0 0 33 2,-0.2 -1,-0.2 3,-0.2 3,-0.2 0.901 111.1 52.0 -66.5 -41.7 11.9 71.5 93.1 120 126 A F H <5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 117.4 40.1 -54.8 -48.6 10.0 73.0 90.1 121 127 A Y H <5S- 0 0 61 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.517 107.5-126.7 -80.4 -8.3 6.8 71.4 91.5 122 128 A G T <5S+ 0 0 67 -4,-0.8 2,-0.2 -5,-0.3 -3,-0.2 0.886 74.7 107.8 61.9 35.4 7.7 72.2 95.2 123 129 A V < - 0 0 74 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.2 -0.671 69.7 -99.7-124.6-175.4 7.1 68.6 96.0 124 130 A S - 0 0 62 -2,-0.2 57,-0.0 1,-0.1 -3,-0.0 -0.662 34.9-102.4-103.6 173.2 9.2 65.7 97.0 125 131 A T - 0 0 7 -2,-0.2 3,-0.2 1,-0.1 55,-0.2 -0.106 36.7-100.8 -76.3-178.1 10.5 62.8 95.0 126 132 A a S S+ 0 0 35 53,-2.4 54,-0.1 1,-0.2 -1,-0.1 0.544 122.2 31.2 -72.5 -3.9 9.2 59.3 95.0 127 133 A N 0 0 37 52,-0.4 -1,-0.2 1,-0.1 53,-0.1 0.820 360.0 360.0 -96.8 -33.2 12.0 58.5 97.2 128 134 A T 0 0 73 -3,-0.2 3,-0.3 51,-0.1 5,-0.2 -0.409 360.0 360.0 -66.1 360.0 12.6 61.1 98.9 129 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 130 137 A Q 0 0 186 0, 0.0 2,-0.2 0, 0.0 -67,-0.0 0.000 360.0 360.0 360.0 -27.9 17.8 60.5 102.0 131 138 A D - 0 0 147 -3,-0.3 2,-2.1 1,-0.1 -3,-0.0 -0.512 360.0 -85.8 -84.6 168.2 20.5 63.2 101.2 132 139 A K - 0 0 176 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.499 59.1-129.2 -77.0 86.0 19.8 66.9 101.2 133 140 A L - 0 0 51 -2,-2.1 2,-0.3 -5,-0.2 -1,-0.1 0.125 10.7-131.3 -39.6 119.8 18.4 67.0 97.7 134 141 A S - 0 0 67 1,-0.1 -15,-0.2 2,-0.1 -1,-0.1 -0.586 6.4-153.3 -71.3 139.5 19.9 69.6 95.3 135 142 A K S S+ 0 0 124 -2,-0.3 -19,-2.6 -20,-0.1 2,-0.2 0.522 70.5 38.4 -77.2 -7.6 17.2 71.7 93.5 136 143 A N S S+ 0 0 38 -21,-0.3 -21,-0.2 1,-0.1 -22,-0.2 -0.532 70.7 67.2-144.1 177.0 19.5 72.4 90.5 137 144 A G + 0 0 15 -28,-0.3 -22,-0.1 -2,-0.2 -1,-0.1 0.850 59.9 149.7 52.2 36.6 22.3 71.4 88.0 138 145 A S + 0 0 0 -24,-2.4 -23,-0.1 -29,-0.1 -29,-0.1 0.856 31.6 103.0 -62.3 -35.3 19.6 69.0 86.6 139 146 A Y S S+ 0 0 6 -30,-0.2 -27,-0.3 -31,-0.2 -25,-0.3 -0.861 88.7 11.9-111.3 116.7 20.9 69.2 83.0 140 147 A P S S- 0 0 0 0, 0.0 2,-0.6 0, 0.0 47,-0.2 0.656 91.6-122.8 -82.6 172.9 22.4 66.8 82.2 141 148 A S > - 0 0 0 45,-1.5 4,-2.5 1,-0.2 5,-0.1 -0.595 14.6-163.2 -72.3 113.8 22.0 64.0 84.8 142 149 A G H > S+ 0 0 8 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.928 91.9 54.4 -64.0 -42.4 25.3 62.9 86.2 143 150 A H H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.916 110.4 46.3 -52.4 -46.1 23.7 59.7 87.6 144 151 A T H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.938 109.4 54.3 -65.9 -41.3 22.3 58.8 84.1 145 152 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.948 111.3 46.4 -52.5 -47.8 25.7 59.6 82.6 146 153 A I H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.931 112.7 48.9 -57.1 -48.2 27.3 57.1 85.0 147 154 A G H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.904 115.0 44.2 -64.9 -36.4 24.7 54.5 84.4 148 155 A W H X S+ 0 0 45 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.974 113.9 48.4 -71.7 -51.3 25.0 54.7 80.6 149 156 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.905 112.4 49.9 -52.9 -43.1 28.7 54.8 80.5 150 157 A T H X S+ 0 0 3 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.939 108.3 52.8 -61.1 -44.3 28.8 51.8 82.8 151 158 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.956 108.6 51.4 -56.8 -46.3 26.4 49.9 80.6 152 159 A L H X S+ 0 0 48 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.922 114.3 41.8 -54.6 -45.6 28.6 50.6 77.6 153 160 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.921 115.3 49.9 -72.5 -35.8 31.7 49.3 79.3 154 161 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.905 106.1 56.9 -58.0 -43.5 29.9 46.4 80.8 155 162 A A H < S+ 0 0 10 -4,-3.1 7,-0.2 -5,-0.2 -2,-0.2 0.922 106.1 51.9 -56.3 -40.7 28.4 45.5 77.4 156 163 A E H < S+ 0 0 71 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.850 111.1 45.5 -62.3 -36.8 32.0 45.3 76.1 157 164 A I H < S+ 0 0 10 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.881 128.8 25.2 -73.5 -37.6 33.0 42.9 78.9 158 165 A N >< + 0 0 9 -4,-2.8 3,-2.1 -5,-0.2 -1,-0.2 -0.479 64.7 163.3-128.7 70.9 30.0 40.7 78.5 159 166 A P G > S+ 0 0 75 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.840 73.5 71.3 -60.6 -26.1 28.6 41.0 75.0 160 167 A Q G 3 S+ 0 0 162 1,-0.3 3,-0.2 -3,-0.1 -5,-0.1 0.847 111.9 30.4 -52.4 -32.0 26.6 37.8 75.5 161 168 A R G <> S+ 0 0 78 -3,-2.1 4,-2.7 -6,-0.2 3,-0.4 0.110 84.4 122.5-112.6 21.0 24.4 39.9 77.8 162 169 A Q H <> S+ 0 0 86 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.865 72.9 51.8 -53.2 -37.6 24.8 43.2 76.1 163 170 A N H > S+ 0 0 113 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.928 111.9 44.5 -70.4 -38.1 21.1 43.7 75.5 164 171 A E H > S+ 0 0 80 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.928 115.2 50.5 -67.4 -43.6 20.2 43.1 79.2 165 172 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -89,-0.3 -2,-0.2 0.929 111.5 46.0 -55.8 -53.6 23.0 45.3 80.3 166 173 A L H X S+ 0 0 43 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.881 111.7 52.2 -60.2 -37.6 22.1 48.2 77.9 167 174 A K H X S+ 0 0 110 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.954 110.0 48.3 -67.2 -40.5 18.5 48.0 78.9 168 175 A R H X S+ 0 0 46 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.950 111.3 51.2 -56.2 -50.7 19.5 48.1 82.7 169 176 A G H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.912 111.3 48.3 -48.8 -48.4 21.7 51.1 81.9 170 177 A Y H X S+ 0 0 88 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.948 110.6 51.3 -59.2 -48.7 18.8 52.8 80.1 171 178 A E H X S+ 0 0 41 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.833 97.1 65.1 -63.9 -35.3 16.4 52.1 83.0 172 179 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.942 108.1 43.1 -48.5 -50.2 18.7 53.6 85.7 173 180 A G H X S+ 0 0 0 -4,-1.3 4,-1.3 2,-0.2 3,-0.4 0.937 110.8 55.3 -61.8 -41.5 18.2 56.9 84.0 174 181 A Q H X S+ 0 0 26 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.917 100.0 61.1 -62.1 -35.6 14.4 56.2 83.5 175 182 A S H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 6,-0.2 0.908 100.3 54.4 -50.6 -45.0 14.2 55.6 87.3 176 183 A R H X>S+ 0 0 21 -4,-1.3 6,-2.0 -3,-0.4 5,-1.6 0.833 110.1 46.7 -59.7 -33.0 15.3 59.2 87.9 177 184 A V H ><5S+ 0 0 5 -4,-1.3 3,-0.7 -3,-0.3 -2,-0.2 0.968 113.6 46.8 -72.8 -48.9 12.5 60.4 85.6 178 185 A I H 3<5S+ 0 0 12 -4,-3.1 -128,-0.2 1,-0.2 -2,-0.2 0.906 114.0 49.1 -53.6 -42.6 9.8 58.2 87.2 179 186 A a H 3<5S- 0 0 0 -4,-2.7 -53,-2.4 -5,-0.2 -52,-0.4 0.638 114.9-113.1 -81.1 -10.2 11.0 59.3 90.7 180 187 A G T <<5S+ 0 0 0 -3,-0.7 -62,-1.8 -4,-0.6 -3,-0.2 0.602 85.0 115.7 95.0 6.1 11.0 62.9 90.0 181 188 A Y S > - 0 0 4 -2,-0.3 4,-1.4 1,-0.1 3,-1.0 -0.492 40.5-111.4 -68.8 149.2 13.3 65.7 83.5 184 191 A Q H 3> S+ 0 0 24 1,-0.2 4,-2.9 -145,-0.2 3,-0.3 0.934 118.8 56.4 -51.7 -39.1 13.3 63.2 80.6 185 192 A S H 3> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.823 100.3 56.1 -64.1 -27.0 15.6 65.6 78.7 186 193 A D H <> S+ 0 0 0 -3,-1.0 4,-1.6 2,-0.2 -45,-1.5 0.906 110.8 45.2 -67.7 -37.0 18.2 65.6 81.4 187 194 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.880 113.2 49.4 -74.1 -41.8 18.4 61.9 81.1 188 195 A D H X S+ 0 0 70 -4,-2.9 4,-1.6 -5,-0.2 3,-0.3 0.978 111.4 48.9 -60.3 -50.8 18.5 61.9 77.3 189 196 A A H X S+ 0 0 7 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.906 107.6 58.1 -53.7 -36.7 21.2 64.6 77.3 190 197 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.895 98.3 57.1 -66.4 -38.3 23.1 62.4 79.8 191 198 A R H X S+ 0 0 19 -4,-2.0 4,-2.1 -3,-0.3 5,-0.2 0.914 104.4 54.8 -61.1 -34.0 23.2 59.4 77.6 192 199 A V H X S+ 0 0 67 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.990 113.4 38.0 -59.8 -53.5 25.0 61.5 74.9 193 200 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.864 112.4 60.1 -66.0 -28.9 27.8 62.7 77.2 194 201 A G H X S+ 0 0 0 -4,-2.6 4,-1.1 -5,-0.2 -1,-0.2 0.892 107.1 46.1 -66.3 -36.8 28.0 59.3 78.8 195 202 A S H X S+ 0 0 54 -4,-2.1 4,-1.4 -5,-0.2 3,-0.3 0.942 109.8 54.0 -66.5 -42.8 28.8 57.8 75.5 196 203 A A H X S+ 0 0 25 -4,-2.2 4,-1.9 -5,-0.2 3,-0.5 0.947 104.4 54.4 -59.4 -41.6 31.3 60.4 74.6 197 204 A V H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.882 100.2 59.6 -65.6 -31.7 33.3 59.8 77.8 198 205 A V H X S+ 0 0 11 -4,-1.1 4,-2.0 -3,-0.3 -1,-0.2 0.903 102.1 55.1 -66.5 -24.9 33.6 56.1 77.2 199 206 A A H X S+ 0 0 65 -4,-1.4 4,-0.8 -3,-0.5 3,-0.3 0.989 110.2 45.8 -61.1 -50.5 35.5 57.0 73.9 200 207 A T H >< S+ 0 0 24 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.884 106.7 58.1 -57.8 -37.7 37.9 59.1 75.9 201 208 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 7,-0.3 0.911 98.0 61.2 -60.4 -41.4 38.3 56.3 78.5 202 209 A H H 3< S+ 0 0 71 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.762 99.6 56.4 -62.4 -16.4 39.5 54.0 75.8 203 210 A T T << S+ 0 0 92 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.615 89.0 96.2 -81.6 -8.6 42.4 56.4 75.1 204 211 A N <> - 0 0 14 -3,-2.0 4,-3.2 -4,-0.3 5,-0.2 -0.744 65.2-150.4 -95.3 118.9 43.5 56.1 78.8 205 212 A P H > S+ 0 0 74 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.922 97.2 48.9 -54.7 -45.5 46.3 53.7 79.6 206 213 A A H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.958 112.6 47.2 -62.6 -45.4 45.1 53.0 83.1 207 214 A F H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.955 111.4 52.9 -55.4 -47.6 41.6 52.4 82.0 208 215 A Q H X S+ 0 0 82 -4,-3.2 4,-2.8 -7,-0.3 -2,-0.2 0.937 112.1 44.4 -54.2 -49.5 42.9 50.1 79.3 209 216 A Q H X S+ 0 0 102 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.901 113.3 49.3 -62.4 -43.8 44.9 48.1 81.7 210 217 A Q H X S+ 0 0 22 -4,-3.1 4,-2.8 -5,-0.2 -118,-0.2 0.901 110.4 52.3 -63.1 -36.9 42.1 47.9 84.3 211 218 A L H X S+ 0 0 9 -4,-3.2 4,-3.0 -5,-0.2 5,-0.2 0.934 105.7 53.2 -62.7 -46.5 39.7 46.9 81.5 212 219 A Q H X S+ 0 0 125 -4,-2.8 4,-3.3 -5,-0.2 5,-0.2 0.945 109.7 50.5 -50.2 -46.8 42.0 44.1 80.5 213 220 A K H X S+ 0 0 98 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.943 109.8 48.3 -58.8 -45.6 42.0 42.9 84.1 214 221 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -126,-0.3 5,-0.2 0.927 112.2 50.2 -60.3 -42.5 38.2 43.0 84.3 215 222 A K H X S+ 0 0 79 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.965 112.1 46.9 -56.2 -51.0 38.1 41.0 81.0 216 223 A A H X S+ 0 0 48 -4,-3.3 4,-2.1 -5,-0.2 5,-0.3 0.948 112.6 49.8 -57.5 -42.9 40.5 38.5 82.4 217 224 A E H X S+ 0 0 45 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.955 110.8 49.5 -59.0 -45.6 38.6 38.2 85.6 218 225 A F H X S+ 0 0 27 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.928 107.5 56.4 -60.3 -41.5 35.4 37.7 83.8 219 226 A A H < S+ 0 0 45 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.908 107.8 44.8 -55.4 -44.4 37.0 35.1 81.6 220 227 A Q H >< S+ 0 0 134 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.892 106.0 63.9 -71.8 -30.7 38.1 32.9 84.5 221 228 A H H 3< S+ 0 0 100 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.881 89.2 67.0 -53.4 -35.2 34.7 33.5 85.9 222 229 A Q T 3< 0 0 102 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.293 360.0 360.0 -69.8 11.6 33.3 31.7 83.0 223 230 A K < 0 0 203 -3,-1.8 -1,-0.2 0, 0.0 -2,-0.0 -0.060 360.0 360.0 87.9 360.0 35.0 28.4 84.3